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Type 2 lactosamine alpha-2,3-sialyltransferase

Transfers the sialyl residue from CMP-N-acetyl-beta-neuraminate to the terminal galactose residue on sugar chains of glycoproteins and glycolipids^1,2. Its alpha-2,3-sialyltransferase activity is specific toward type II glycan chains (Galbeta1-4GlcNAc) on glycoproteins and glycolipids such as neolactosides nLc4Cer and nLc6Cer, whose sialyl-products serve as precursors for the Lewis X antigen^3,4. Critically involved in the synthesis of functional selectin ligands needed for neutrophil recruitment during inflammation and lymphocyte homing to the lymph nodes (By similarity).

AlphaFold DB , UniProt , Accession Q9Y274, Species HUMAN (Homo sapiens, Human), Gene ST3GAL6, Length 331 aa.

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(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	60.3	Low	84.6	Confident	218 Å²	218	127.3 Å²	127.3	100%	1.074	65%	0.652	S	S	*	*				0	-26.6	0	-67.7	-177.3	-168.4	0	0	114.9
2	R	77.8	Confident	85.3	Confident	224 Å²	224	121.5 Å²	121.5	85%	0.845	64%	0.638	S	S	*	*	H	α-helix	trans	-70.1	-36.6	-177.6	-106.3	174.8	173.6	174.6	-3	115.8	Y4 L5 V6	R2-Y4 PolarHBondContact O-N 3.08Å; R2-L5 PolarHBondContact O-N 3.48Å; R2-V6 PolarHBondContact O-N 2.77Å
3	G	80.5	Confident	86	Confident	57 Å²	57	118.4 Å²	118.4	59%	0.588	63%	0.627	S	S	*	*	H	α-helix	trans	-63.7	-41.4	-174.5	0	0	0	0	0	114.9	L5 V6 A7	G3-L5 PolarHBondContact O-N 3.47Å; G3-V6 PolarHBondContact O-N 3.11Å; G3-A7 PolarHBondContact O-N 3.29Å; G3-A7 VanDerWaalsContact O-N 3.15Å
4	Y	84.5	Confident	86.6	Confident	193 Å²	193	119.7 Å²	119.7	76%	0.757	63%	0.625	S	S	*	*	H	α-helix	trans	-65.6	-38.4	-179.3	-76.9	-81.7	0	0	0	113	R2 V6 A7 I8	R2-Y4 PolarHBondContact O-N 3.08Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.3Å; Y4-A7 PolarHBondContact O-N 3.46Å; Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.48Å; Y4-I8 VanDerWaalsContact O-N 3.08Å
5	L	85.3	Confident	87.2	Confident	126 Å²	126	119.3 Å²	119.3	66%	0.66	62%	0.623	S	S	*	*	H	α-helix	trans	-64	-38.3	176.7	-76.2	165.3	0	0	0	111.8	R2 G3 I8 F9	R2-L5 PolarHBondContact O-N 3.48Å; G3-L5 PolarHBondContact O-N 3.47Å; L5-I8 PolarHBondContact O-N 3.5Å; L5-F9 PolarHBondContact O-N 2.99Å; L5-F9 VanDerWaalsContact O-N 3.11Å
6	V	87	Confident	87.4	Confident	86 Å²	86	121.5 Å²	121.5	52%	0.521	62%	0.622	S	S	.	*	H	α-helix	trans	-65.2	-43.1	175.6	179.9	0	0	0	0	111	R2 G3 Y4 I8 F9 L10	R2-V6 PolarHBondContact O-N 2.77Å; G3-V6 PolarHBondContact O-N 3.11Å; Y4-V6 VanDerWaalsContact C-N 3.33Å; Y4-V6 PolarHBondContact O-N 3.3Å; V6-I8 PolarHBondContact O-N 3.04Å; V6-F9 PolarHBondContact O-N 3.3Å; V6-L10 HydrophobicContact CG1-CD1 3.94Å; V6-L10 HydrophobicContact CG1-CG 4.34Å; V6-L10 WeakPolarHBondContact O-CG 3.39Å; V6-L10 PolarHBondContact O-N 3.31Å
7	A	89.1	Confident	87.5	Confident	52 Å²	52	123.6 Å²	123.6	43%	0.43	62%	0.622	S	S	.	*	H	α-helix	trans	-62.6	-40.6	178.6	0	0	0	0	0	112.8	G3 Y4 S11	G3-A7 PolarHBondContact O-N 3.29Å; G3-A7 VanDerWaalsContact O-N 3.15Å; Y4-A7 PolarHBondContact O-N 3.46Å; A7-S11 WeakPolarHBondContact O-CB 3.39Å; A7-S11 PolarHBondContact O-N 3.46Å; A7-S11 PolarHBondContact O-OG 3.41Å
8	I	90.6	Very high	87.6	Confident	115 Å²	115	119.6 Å²	119.6	59%	0.59	60%	0.604	S	S	*	*	H	α-helix	trans	-64.2	-45	176.2	-67.5	168	0	0	0	110.6	Y4 L5 V6 S11 A12	Y4-I8 WeakPolarHBondContact O-CG1 3.39Å; Y4-I8 PolarHBondContact O-N 3.48Å; Y4-I8 VanDerWaalsContact O-N 3.08Å; L5-I8 PolarHBondContact O-N 3.5Å; V6-I8 PolarHBondContact O-N 3.04Å; I8-S11 PolarHBondContact O-N 3.15Å; I8-A12 PolarHBondContact O-N 2.87Å
9	F	90.8	Very high	87.4	Confident	151 Å²	151	118.3 Å²	118.3	66%	0.662	60%	0.599	S	S	*	*	H	α-helix	trans	-63.9	-44.9	-179.4	-158.6	-87.1	0	0	0	112	L5 V6 S11 A12 V13	L5-F9 PolarHBondContact O-N 2.99Å; L5-F9 VanDerWaalsContact O-N 3.11Å; V6-F9 PolarHBondContact O-N 3.3Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 3.44Å; F9-A12 PolarHBondContact O-N 3.47Å; F9-V13 HydrophobicContact CD1-CG2 4.07Å; F9-V13 HydrophobicContact CE1-CG2 3.97Å; F9-V13 WeakPolarHBondContact O-CG2 3.32Å; F9-V13 PolarHBondContact O-N 3.44Å
10	L	91.7	Very high	87	Confident	112 Å²	112	116.9 Å²	116.9	59%	0.586	59%	0.589	S	S	*	*	H	α-helix	trans	-62.6	-38.8	176.1	-70.3	173.7	0	0	0	112.1	V6 V13 F14	V6-L10 HydrophobicContact CG1-CD1 3.94Å; V6-L10 HydrophobicContact CG1-CG 4.34Å; V6-L10 WeakPolarHBondContact O-CG 3.39Å; V6-L10 PolarHBondContact O-N 3.31Å; L10-V13 PolarHBondContact O-N 3.42Å; L10-F14 WeakPolarHBondContact O-CB 3.35Å; L10-F14 PolarHBondContact O-N 3.28Å
11	S	93.6	Very high	86.6	Confident	66 Å²	66	114.2 Å²	114.2	46%	0.462	58%	0.581	S	S	.	*	H	α-helix	trans	-65.3	-40.5	176.4	-58.3	0	0	0	0	112	A7 I8 F9 F14 L15	A7-S11 WeakPolarHBondContact O-CB 3.39Å; A7-S11 PolarHBondContact O-N 3.46Å; A7-S11 PolarHBondContact O-OG 3.41Å; I8-S11 PolarHBondContact O-N 3.15Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 3.44Å; S11-F14 PolarHBondContact O-N 2.97Å; S11-L15 WeakPolarHBondContact O-CB 3.45Å; S11-L15 VanDerWaalsContact O-CG 3.32Å; S11-L15 WeakPolarHBondContact O-CG 3.4Å; S11-L15 PolarHBondContact O-N 2.91Å
12	A	93.1	Very high	87.2	Confident	58 Å²	58	108.7 Å²	108.7	48%	0.479	56%	0.555	S	S	.	*	H	α-helix	trans	-65.3	-41.8	176.5	0	0	0	0	0	112.3	I8 F9 L15 Y16	I8-A12 PolarHBondContact O-N 2.87Å; F9-A12 PolarHBondContact O-N 3.47Å; A12-L15 PolarHBondContact O-N 3.04Å; A12-Y16 WeakPolarHBondContact O-CB 3.43Å; A12-Y16 PolarHBondContact O-N 3.4Å
13	V	94	Very high	86.7	Confident	81 Å²	81	102.4 Å²	102.4	49%	0.491	54%	0.537	S	S	.	.	H	α-helix	trans	-63.7	-42.5	175.2	173.9	0	0	0	0	111.1	F9 L10 Y16 Y17	F9-V13 HydrophobicContact CD1-CG2 4.07Å; F9-V13 HydrophobicContact CE1-CG2 3.97Å; F9-V13 WeakPolarHBondContact O-CG2 3.32Å; F9-V13 PolarHBondContact O-N 3.44Å; L10-V13 PolarHBondContact O-N 3.42Å; V13-Y16 PolarHBondContact O-N 2.98Å; V13-Y17 WeakPolarHBondContact O-CB 3.23Å; V13-Y17 PolarHBondContact O-N 2.78Å
14	F	94.4	Very high	85.6	Confident	137 Å²	137	108.2 Å²	108.2	60%	0.601	54%	0.542	S	S	*	.	H	α-helix	trans	-62.7	-46.8	175.7	177.8	-100.9	0	0	0	111.9	L10 S11 Y16 Y17 V18	L10-F14 WeakPolarHBondContact O-CB 3.35Å; L10-F14 PolarHBondContact O-N 3.28Å; S11-F14 PolarHBondContact O-N 2.97Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; F14-Y16 PolarHBondContact O-N 3.43Å; F14-Y17 WeakPolarHBondContact O-CB 3.49Å; F14-Y17 PolarHBondContact O-N 3.4Å; F14-V18 HydrophobicContact CD1-CG2 4.22Å; F14-V18 HydrophobicContact CE1-CG2 3.8Å; F14-V18 HydrophobicContact CE2-CG2 4.15Å; F14-V18 HydrophobicContact CZ-CG2 3.76Å; F14-V18 WeakPolarHBondContact O-CG2 3.32Å; F14-V18 PolarHBondContact O-N 3.44Å
15	L	94.8	Very high	84.1	Confident	114 Å²	114	101 Å²	101	60%	0.597	53%	0.526	S	S	*	.	H	α-helix	trans	-63.8	-38.9	177.1	-73.6	169.6	0	0	0	112.2	S11 A12 V18 L19	S11-L15 WeakPolarHBondContact O-CB 3.45Å; S11-L15 VanDerWaalsContact O-CG 3.32Å; S11-L15 WeakPolarHBondContact O-CG 3.4Å; S11-L15 PolarHBondContact O-N 2.91Å; A12-L15 PolarHBondContact O-N 3.04Å; L15-V18 PolarHBondContact O-N 3.26Å; L15-L19 VanDerWaalsContact O-CB 3.32Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 3.41Å
16	Y	90.9	Very high	82.5	Confident	154 Å²	154	98.3 Å²	98.3	60%	0.604	52%	0.515	S	S	*	.	H	α-helix	trans	-62.1	-43.1	172.7	178.9	-95.3	0	0	0	111.4	A12 V13 F14 L19 H20	A12-Y16 WeakPolarHBondContact O-CB 3.43Å; A12-Y16 PolarHBondContact O-N 3.4Å; V13-Y16 PolarHBondContact O-N 2.98Å; F14-Y16 VanDerWaalsContact C-N 3.35Å; F14-Y16 PolarHBondContact O-N 3.43Å; Y16-L19 PolarHBondContact O-N 2.86Å; Y16-H20 VanDerWaalsContact O-CB 3.27Å; Y16-H20 WeakPolarHBondContact O-CB 3.24Å; Y16-H20 PolarHBondContact O-N 2.91Å
17	Y	89.7	Confident	80.7	Confident	158 Å²	158	98.4 Å²	98.4	62%	0.62	51%	0.512	S	S	*	.	H	α-helix	trans	-63.8	-44	176.5	-170.9	-94.6	0	0	0	111.8	V13 F14 H20 C21	V13-Y17 WeakPolarHBondContact O-CB 3.23Å; V13-Y17 PolarHBondContact O-N 2.78Å; F14-Y17 WeakPolarHBondContact O-CB 3.49Å; F14-Y17 PolarHBondContact O-N 3.4Å; Y17-H20 PolarHBondContact O-N 3.19Å; Y17-C21 WeakPolarHBondContact CE1-SG 3.35Å; Y17-C21 WeakPolarHBondContact O-CB 3.24Å; Y17-C21 PolarHBondContact O-N 2.86Å; Y17-C21 PolarHBondContact O-SG 3.24Å
18	V	89.8	Confident	78.8	Confident	51 Å²	51	101.1 Å²	101.1	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-61.5	-46.3	174.9	171.3	0	0	0	0	110.9	F14 L15 H20 C21 I22	F14-V18 HydrophobicContact CD1-CG2 4.22Å; F14-V18 HydrophobicContact CE1-CG2 3.8Å; F14-V18 HydrophobicContact CE2-CG2 4.15Å; F14-V18 HydrophobicContact CZ-CG2 3.76Å; F14-V18 WeakPolarHBondContact O-CG2 3.32Å; F14-V18 PolarHBondContact O-N 3.44Å; L15-V18 PolarHBondContact O-N 3.26Å; V18-H20 VanDerWaalsContact C-N 3.32Å; V18-H20 PolarHBondContact O-N 2.8Å; V18-C21 PolarHBondContact O-N 3.38Å; V18-I22 HydrophobicContact CG1-CD1 3.71Å; V18-I22 HydrophobicContact CG1-CG1 4.39Å; V18-I22 WeakPolarHBondContact O-CB 3.44Å; V18-I22 VanDerWaalsContact O-CG1 3.23Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 2.85Å
19	L	82.7	Confident	76.8	Confident	95 Å²	95	104.2 Å²	104.2	50%	0.497	53%	0.529	S	S	.	.	H	α-helix	trans	-61.3	-41.9	176.2	-175.6	67.5	0	0	0	111	L15 Y16 I22 L23	L15-L19 VanDerWaalsContact O-CB 3.32Å; L15-L19 WeakPolarHBondContact O-CB 3.42Å; L15-L19 PolarHBondContact O-N 3.41Å; Y16-L19 PolarHBondContact O-N 2.86Å; L19-I22 PolarHBondContact O-N 2.79Å; L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CD1-CG 4.39Å; L19-L23 HydrophobicContact CD2-CD1 4.43Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 HydrophobicContact CG-CG 4.37Å; L19-L23 VanDerWaalsContact O-CB 3.24Å; L19-L23 WeakPolarHBondContact O-CB 3.27Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.3Å
20	H	80.4	Confident	74.6	Confident	90 Å²	90	106.5 Å²	106.5	42%	0.417	53%	0.533	S	S	.	.	H	α-helix	trans	-68.1	-36.1	177.2	-161.6	-63.6	0	0	0	111.9	Y16 Y17 V18 W24	Y16-H20 VanDerWaalsContact O-CB 3.27Å; Y16-H20 WeakPolarHBondContact O-CB 3.24Å; Y16-H20 PolarHBondContact O-N 2.91Å; Y17-H20 PolarHBondContact O-N 3.19Å; V18-H20 VanDerWaalsContact C-N 3.32Å; V18-H20 PolarHBondContact O-N 2.8Å; H20-W24 WeakPolarHBondContact O-CB 3.37Å; H20-W24 PolarHBondContact O-N 3.39Å
21	C	77.5	Confident	72.4	Confident	61 Å²	61	106.6 Å²	106.6	41%	0.412	54%	0.538	S	S	.	.	H	α-helix	trans	-67.7	-41.3	173.3	-74.2	0	0	0	0	112.1	Y17 V18 G25	Y17-C21 WeakPolarHBondContact CE1-SG 3.35Å; Y17-C21 WeakPolarHBondContact O-CB 3.24Å; Y17-C21 PolarHBondContact O-N 2.86Å; Y17-C21 PolarHBondContact O-SG 3.24Å; V18-C21 PolarHBondContact O-N 3.38Å; C21-G25 PolarHBondContact O-N 2.67Å
22	I	74.1	Confident	70.3	Confident	102 Å²	102	107 Å²	107	52%	0.523	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-50.3	174.7	-67.5	165.3	0	0	0	109.3	V18 L19 W24 G25 T26	V18-I22 HydrophobicContact CG1-CD1 3.71Å; V18-I22 HydrophobicContact CG1-CG1 4.39Å; V18-I22 WeakPolarHBondContact O-CB 3.44Å; V18-I22 VanDerWaalsContact O-CG1 3.23Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 2.85Å; L19-I22 PolarHBondContact O-N 2.79Å; I22-W24 PolarHBondContact O-N 3.09Å; I22-G25 PolarHBondContact O-N 2.72Å; I22-T26 WeakPolarHBondContact O-CG2 3.41Å; I22-T26 PolarHBondContact O-N 3.23Å; I22-T26 PolarHBondContact O-OG1 3.11Å
23	L	65.6	Low	68.3	Low	91 Å²	91	109.8 Å²	109.8	48%	0.476	56%	0.559	S	S	.	*	H	α-helix	trans	-61.4	-45.8	179.4	-75.5	171.7	0	0	0	110.9	L19 T26 N27	L19-L23 HydrophobicContact CD1-CD1 4.31Å; L19-L23 HydrophobicContact CD1-CG 4.39Å; L19-L23 HydrophobicContact CD2-CD1 4.43Å; L19-L23 HydrophobicContact CG-CD1 3.89Å; L19-L23 HydrophobicContact CG-CG 4.37Å; L19-L23 VanDerWaalsContact O-CB 3.24Å; L19-L23 WeakPolarHBondContact O-CB 3.27Å; L19-L23 VanDerWaalsContact O-CG 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.47Å; L19-L23 PolarHBondContact O-N 3.3Å; L23-T26 WeakPolarHBondContact CA-OG1 3.37Å; L23-T26 CarbonylContact O-C 3.56Å; L23-T26 WeakPolarHBondContact O-CA 3.26Å; L23-T26 PolarHBondContact O-N 2.86Å; L23-T26 VanDerWaalsContact O-N 3.11Å; L23-T26 PolarHBondContact O-OG1 2.79Å; L23-N27 WeakPolarHBondContact O-CA 3.48Å; L23-N27 VanDerWaalsContact O-CB 3.26Å; L23-N27 WeakPolarHBondContact O-CB 3.37Å; L23-N27 PolarHBondContact O-N 3.47Å
24	W	59.2	Low	66.5	Low	179 Å²	179	108.8 Å²	108.8	68%	0.678	55%	0.553	S	S	*	*	H	α-helix	trans	-69.6	-37.9	179.5	-152.6	42.7	0	0	0	112.3	H20 I22 T26 N27 V28	H20-W24 WeakPolarHBondContact O-CB 3.37Å; H20-W24 PolarHBondContact O-N 3.39Å; I22-W24 PolarHBondContact O-N 3.09Å; W24-T26 PolarHBondContact O-N 3.33Å; W24-N27 PolarHBondContact O-N 3.35Å; W24-N27 VanDerWaalsContact O-N 3.09Å; W24-V28 PolarHBondContact O-N 2.85Å
25	G	52.7	Low	65.1	Low	42 Å²	42	110.4 Å²	110.4	43%	0.433	56%	0.563	S	S	.	*	H	α-helix	trans	-57	-36.7	168.3	0	0	0	0	0	112.1	C21 I22 Y29	C21-G25 PolarHBondContact O-N 2.67Å; I22-G25 PolarHBondContact O-N 2.72Å; G25-Y29 WeakPolarHBondContact O-CD2 3.13Å; G25-Y29 WeakPolarHBondContact O-CE2 3.14Å
26	T	51	Low	64.3	Low	69 Å²	69	106.3 Å²	106.3	42%	0.423	54%	0.541	S	S	.	.	H	α-helix	trans	-81.8	-27.2	172.6	61.7	0	0	0	0	113.9	I22 L23 W24 V28 Y29	I22-T26 WeakPolarHBondContact O-CG2 3.41Å; I22-T26 PolarHBondContact O-N 3.23Å; I22-T26 PolarHBondContact O-OG1 3.11Å; L23-T26 WeakPolarHBondContact CA-OG1 3.37Å; L23-T26 CarbonylContact O-C 3.56Å; L23-T26 WeakPolarHBondContact O-CA 3.26Å; L23-T26 PolarHBondContact O-N 2.86Å; L23-T26 VanDerWaalsContact O-N 3.11Å; L23-T26 PolarHBondContact O-OG1 2.79Å; W24-T26 PolarHBondContact O-N 3.33Å; T26-V28 PolarHBondContact O-N 3.06Å; T26-Y29 WeakPolarHBondContact O-CB 3.07Å; T26-Y29 PolarHBondContact O-N 3.28Å
27	N	48.2	Very low	63.4	Low	88 Å²	88	105.8 Å²	105.8	47%	0.471	54%	0.541	S	S	.	.	H	α-helix	trans	-74.5	-29.6	-172	-136.5	-18.3	0	0	0	112	L23 W24 Y29 W30	L23-N27 WeakPolarHBondContact O-CA 3.48Å; L23-N27 VanDerWaalsContact O-CB 3.26Å; L23-N27 WeakPolarHBondContact O-CB 3.37Å; L23-N27 PolarHBondContact O-N 3.47Å; W24-N27 PolarHBondContact O-N 3.35Å; W24-N27 VanDerWaalsContact O-N 3.09Å; N27-Y29 PolarHBondContact O-N 3.02Å; N27-Y29 VanDerWaalsContact O-N 3.08Å; N27-W30 VanDerWaalsContact CA-CD1 3.47Å; N27-W30 PolarHBondContact O-N 3.08Å; N27-W30 VanDerWaalsContact OD1-CG 3.27Å; N27-W30 PolarHBondContact OD1-NE1 3.04Å
28	V	49.2	Very low	62.5	Low	110 Å²	110	108.6 Å²	108.6	67%	0.667	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-19.8	169.5	177.8	0	0	0	0	111.7	W24 T26	W24-V28 PolarHBondContact O-N 2.85Å; T26-V28 PolarHBondContact O-N 3.06Å
29	Y	49.7	Very low	62	Low	180 Å²	180	109.7 Å²	109.7	71%	0.706	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	5.6	176.2	-58.1	-77.8	0	0	0	115	G25 T26 N27 V31	G25-Y29 WeakPolarHBondContact O-CD2 3.13Å; G25-Y29 WeakPolarHBondContact O-CE2 3.14Å; T26-Y29 WeakPolarHBondContact O-CB 3.07Å; T26-Y29 PolarHBondContact O-N 3.28Å; N27-Y29 PolarHBondContact O-N 3.02Å; N27-Y29 VanDerWaalsContact O-N 3.08Å; Y29-V31 CarbonylContact O-C 3.55Å; Y29-V31 PolarHBondContact O-N 3.49Å
30	W	44.9	Very low	61.6	Low	198 Å²	198	107.1 Å²	107.1	75%	0.75	54%	0.537	S	S	*	.			trans	-73.7	-8.5	179.8	-82.6	59.4	0	0	0	114.8	N27 A32	N27-W30 VanDerWaalsContact CA-CD1 3.47Å; N27-W30 PolarHBondContact O-N 3.08Å; N27-W30 VanDerWaalsContact OD1-CG 3.27Å; N27-W30 PolarHBondContact OD1-NE1 3.04Å; W30-A32 VanDerWaalsContact C-N 3.33Å; W30-A32 PolarHBondContact O-N 3.25Å
31	V	44.7	Very low	61.1	Low	114 Å²	114	112.6 Å²	112.6	69%	0.691	56%	0.559	S	S	*	*	S	Bend	trans	-74.2	100.1	157	-171.8	0	0	0	0	105.5	Y29 P33	Y29-V31 CarbonylContact O-C 3.55Å; Y29-V31 PolarHBondContact O-N 3.49Å; V31-P33 VanDerWaalsContact O-N 3.08Å
32	A	49.2	Very low	61	Low	75 Å²	75	113.1 Å²	113.1	62%	0.62	56%	0.557	S	S	*	*			trans	-40.4	123.2	171.8	0	0	0	0	0	107.6	W30 V34	W30-A32 VanDerWaalsContact C-N 3.33Å; W30-A32 PolarHBondContact O-N 3.25Å; A32-V34 PolarHBondContact O-N 3.32Å
33	P	51.8	Low	61.1	Low	117 Å²	117	112.7 Å²	112.7	76%	0.76	55%	0.553	S	S	*	*			trans	-51.9	118.7	-176	17.4	-28.9	0	0	0	107.1	V31 E35	V31-P33 VanDerWaalsContact O-N 3.08Å; P33-E35 PolarHBondContact O-N 2.85Å
34	V	55.6	Low	61.6	Low	60 Å²	60	112.5 Å²	112.5	36%	0.364	56%	0.557	S	S	.	*			trans	-64.9	105.7	-176.3	-178.1	0	0	0	0	106.1	A32 M36 Q102	A32-V34 PolarHBondContact O-N 3.32Å; V34-M36 PolarHBondContact O-N 2.92Å; V34-M36 VanDerWaalsContact O-N 3.14Å; V34-Q102 HydrophobicContact CG1-CB 3.85Å; V34-Q102 HydrophobicContact CG1-CG 3.45Å; V34-Q102 VanDerWaalsContact CG1-CG 3.45Å
35	E	64.8	Low	62.9	Low	171 Å²	171	106 Å²	106	80%	0.799	54%	0.538	S	S	*	.			trans	-72.4	114.3	-174.6	-166.7	174	178.3	0	0	108.1	P33 K37	P33-E35 PolarHBondContact O-N 2.85Å; E35-K37 PolarHBondContact O-N 3.14Å
36	M	78.1	Confident	64.4	Low	28 Å²	28	112.3 Å²	112.3	14%	0.138	56%	0.561	C	S	.	*	P	Polyproline II helix	trans	-63.1	125.6	175.5	-178.3	177.1	-74.4	0	0	109.3	V34 C65 A66 L98 L101 Q102 C104	V34-M36 PolarHBondContact O-N 2.92Å; V34-M36 VanDerWaalsContact O-N 3.14Å; M36-C65 HydrophobicContact SD-CB 4.17Å; M36-A66 HydrophobicContact CE-CB 4.35Å; M36-A66 HydrophobicContact SD-CB 4.13Å; M36-A66 PolarHBondContact SD-N 2.63Å; M36-A66 VanDerWaalsContact SD-N 3.35Å; M36-L98 HydrophobicContact CE-CB 4.49Å; M36-L98 HydrophobicContact CE-CD2 4.23Å; M36-L98 VanDerWaalsContact CE-O 3.23Å; M36-L98 WeakPolarHBondContact CE-O 3.25Å; M36-L101 HydrophobicContact CE-CB 3.54Å; M36-L101 WeakPolarHBondContact CE-O 3.42Å; M36-Q102 WeakPolarHBondContact CA-O 3.5Å; M36-C104 HydrophobicContact CG-CB 4.48Å; M36-C104 HydrophobicContact SD-CB 3.73Å
37	K	71.8	Confident	66.3	Low	142 Å²	142	111.8 Å²	111.8	62%	0.617	56%	0.561	S	S	*	*	B	Isolated β-bridge	trans	-55.9	141.1	174.3	-68.6	-172.6	178.2	-173.7	0	111	E35 Q102	E35-K37 PolarHBondContact O-N 3.14Å; K37-Q102 PolarHBondContact N-O 2.87Å
38	R	70.8	Confident	68.3	Low	217 Å²	217	114.9 Å²	114.9	82%	0.819	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-71.5	151.1	173.5	-68.7	-175.3	-178.2	-175.3	2	109.9	N40	R38-N40 PolarHBondContact O-N 2.98Å
39	R	79.2	Confident	70.4	Confident	74 Å²	74	111 Å²	111	28%	0.279	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-50.3	122	176.9	-64.4	-175.3	-177.8	122.8	14.8	111.8	H61 C65 D68 D105	R39-H61 PolarHBondContact NE-CD2 3.15Å; R39-C65 PolarHBondContact NE-SG 3.24Å; R39-C65 VanDerWaalsContact NE-SG 3.39Å; R39-D68 IonicContact CZ-OD1 3.17Å; R39-D68 IonicContact CZ-OD2 3.94Å; R39-D68 VanDerWaalsContact CZ-OD2 3.25Å; R39-D68 IonicContact NH1-OD1 2.8Å; R39-D68 IonicContact NH1-OD2 2.72Å; R39-D68 PolarHBondContact NH1-OD2 3.25Å; R39-D68 IonicContact NH2-OD1 3.21Å; R39-D68 PolarHBondContact NH2-OD1 2.95Å; R39-D68 IonicContact NH2-OD2 3.81Å; R39-D68 PolarHBondContact NH2-OD2 2.95Å; R39-D68 VanDerWaalsContact NH2-OD2 3.17Å; R39-D105 VanDerWaalsContact CA-OD1 3.25Å; R39-D105 WeakPolarHBondContact CA-OD1 3.33Å
40	N	75.1	Confident	72.7	Confident	42 Å²	42	105.3 Å²	105.3	23%	0.225	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-63.8	147.4	166.1	-64.5	-27.7	0	0	0	111.2	R38 D105 F107 E109	R38-N40 PolarHBondContact O-N 2.98Å; N40-D105 PolarHBondContact N-OD1 2.68Å; N40-F107 PolarHBondContact ND2-O 3.23Å; N40-E109 PolarHBondContact ND2-N 2.94Å
41	K	70.4	Confident	75.1	Confident	205 Å²	205	96 Å²	96	89%	0.891	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-74.4	130.6	168.8	-72.4	-176.6	-179.6	177.4	0	108.4
42	I	74.4	Confident	77.4	Confident	71 Å²	71	90.5 Å²	90.5	36%	0.364	47%	0.469	S	S	.	.	P	Polyproline II helix	trans	-101.6	135.6	177.6	-52.3	178.1	0	0	0	107.8	P44 L106 F107	I42-P44 WeakPolarHBondContact O-CD 3.04Å; I42-L106 HydrophobicContact CD1-CB 3.68Å; I42-L106 HydrophobicContact CD1-CD2 3.37Å; I42-L106 HydrophobicContact CD1-CG 4.02Å; I42-F107 HydrophobicContact CD1-CD2 4.31Å; I42-F107 HydrophobicContact CG2-CD2 4.43Å
43	Q	77.6	Confident	79.4	Confident	93 Å²	93	91.7 Å²	91.7	44%	0.435	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-64.1	117.3	174.9	-170.9	168.7	-26.2	0	0	109.7	N112 P114	Q43-N112 PolarHBondContact OE1-O 3.17Å; Q43-N112 VanDerWaalsContact OE1-O 3.07Å; Q43-P114 HydrophobicContact CG-CB 4.14Å
44	P	75.6	Confident	81.4	Confident	88 Å²	88	88.2 Å²	88.2	57%	0.571	45%	0.447	S	S	*	.	P	Polyproline II helix	trans	-69.8	147.4	-177.7	29.2	-34.3	0	0	0	110.6	I42	I42-P44 WeakPolarHBondContact O-CD 3.04Å
45	C	85.4	Confident	83.2	Confident	42 Å²	42	86 Å²	86	28%	0.284	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-81.8	128.5	166.4	-172.3	0	0	0	0	109.4	S47 C115 H272	C45-S47 PolarHBondContact SG-OG 3.08Å; C45-C115 VanDerWaalsContact CA-SG 3.51Å; C45-C115 HydrophobicContact CB-CB 3.94Å; C45-C115 WeakPolarHBondContact CB-SG 3.35Å; C45-C115 VanDerWaalsContact SG-CA 3.51Å; C45-C115 WeakPolarHBondContact SG-CB 3.5Å; C45-C115 CovalentContact SG-SG 2.04Å; C45-C115 PolarHBondContact SG-SG 3.49Å; C45-H272 VanDerWaalsContact SG-CG 3.52Å; C45-H272 PolarHBondContact SG-ND1 3Å; C45-H272 VanDerWaalsContact SG-ND1 3.37Å
46	L	85.5	Confident	84.2	Confident	175 Å²	175	86.6 Å²	86.6	92%	0.916	43%	0.428	S	S	*	.	S	Bend	trans	-77	-27.2	179.6	-64.5	177.1	0	0	0	112.4
47	S	89.5	Confident	84.4	Confident	58 Å²	58	88.4 Å²	88.4	41%	0.406	44%	0.435	S	S	.	.	S	Bend	trans	-82.2	139.4	176.5	46.8	0	0	0	0	111.3	C45 H272	C45-S47 PolarHBondContact SG-OG 3.08Å; S47-H272 VanDerWaalsContact CB-CE1 3.44Å; S47-H272 WeakPolarHBondContact CB-CE1 3.49Å; S47-H272 PolarHBondContact O-CE1 3.27Å; S47-H272 PolarHBondContact O-ND1 3.02Å; S47-H272 PolarHBondContact OG-CE1 2.8Å; S47-H272 PolarHBondContact OG-NE2 3.26Å
48	K	91	Very high	84.6	Confident	153 Å²	153	87 Å²	87	67%	0.665	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-76.1	127.4	175.3	-173	174.3	179.9	177.3	0	109.7	A52	K48-A52 HydrophobicContact CD-CB 3.99Å; K48-A52 HydrophobicContact CG-CB 3.49Å; K48-A52 VanDerWaalsContact CG-CB 3.49Å
49	P	94.3	Very high	84.9	Confident	29 Å²	29	85 Å²	85	19%	0.188	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-70.2	154.5	177.5	28.3	-33.1	0	0	0	111.3	F51 A52 H272	P49-F51 VanDerWaalsContact C-N 3.27Å; P49-F51 HydrophobicContact CB-CD1 4.42Å; P49-F51 HydrophobicContact CB-CD2 4.08Å; P49-F51 HydrophobicContact CB-CE1 3.98Å; P49-F51 HydrophobicContact CB-CE2 3.57Å; P49-F51 HydrophobicContact CB-CG 4.48Å; P49-F51 HydrophobicContact CB-CZ 3.53Å; P49-F51 HydrophobicContact CG-CD2 4.14Å; P49-F51 HydrophobicContact CG-CE2 3.68Å; P49-F51 HydrophobicContact CG-CZ 4.13Å; P49-F51 PolarHBondContact O-N 3.5Å; P49-A52 HydrophobicContact CG-CB 4.02Å; P49-A52 WeakPolarHBondContact O-CB 3.48Å; P49-A52 PolarHBondContact O-N 2.91Å; P49-H272 VanDerWaalsContact CB-O 3.22Å; P49-H272 WeakPolarHBondContact CB-O 3.23Å
50	A	96.4	Very high	85.4	Confident	60 Å²	60	82 Å²	82	50%	0.496	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-56.9	-40	-177.9	0	0	0	0	0	112.5	A52 L324	A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.05Å; A50-L324 HydrophobicContact CB-CD2 4.3Å; A50-L324 WeakPolarHBondContact O-CD2 3.42Å
51	F	95.1	Very high	86.2	Confident	1 Å²	1	81.7 Å²	81.7	0%	0.004	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-80.2	5.6	179.6	48.2	-100.9	0	0	0	114.8	P49 S53 L54 F268 C271 V274 L324	P49-F51 VanDerWaalsContact C-N 3.27Å; P49-F51 HydrophobicContact CB-CD1 4.42Å; P49-F51 HydrophobicContact CB-CD2 4.08Å; P49-F51 HydrophobicContact CB-CE1 3.98Å; P49-F51 HydrophobicContact CB-CE2 3.57Å; P49-F51 HydrophobicContact CB-CG 4.48Å; P49-F51 HydrophobicContact CB-CZ 3.53Å; P49-F51 HydrophobicContact CG-CD2 4.14Å; P49-F51 HydrophobicContact CG-CE2 3.68Å; P49-F51 HydrophobicContact CG-CZ 4.13Å; P49-F51 PolarHBondContact O-N 3.5Å; F51-S53 PolarHBondContact O-N 3.13Å; F51-S53 VanDerWaalsContact O-N 3.11Å; F51-L54 HydrophobicContact CB-CD1 4.05Å; F51-L54 HydrophobicContact CB-CG 4.48Å; F51-L54 VanDerWaalsContact O-CB 3.29Å; F51-L54 WeakPolarHBondContact O-CB 3.4Å; F51-L54 PolarHBondContact O-N 3.02Å; F51-F268 HydrophobicContact CB-CD1 4.03Å; F51-F268 HydrophobicContact CB-CE1 3.9Å; F51-F268 HydrophobicContact CB-CG 4.45Å; F51-F268 HydrophobicContact CB-CZ 4.19Å; F51-F268 AromaticContact CD1-CD1 3.6Å; F51-F268 HydrophobicContact CD1-CD1 3.6Å; F51-F268 AromaticContact CD1-CE1 3.63Å; F51-F268 HydrophobicContact CD1-CE1 3.63Å; F51-F268 HydrophobicContact CD2-CB 3.76Å; F51-F268 AromaticContact CD2-CD1 3.48Å; F51-F268 HydrophobicContact CD2-CD1 3.48Å; F51-F268 VanDerWaalsContact CD2-CD1 3.48Å; F51-F268 HydrophobicContact CD2-CE1 4.19Å; F51-F268 AromaticContact CD2-CG 3.75Å; F51-F268 HydrophobicContact CD2-CG 3.75Å; F51-F268 AromaticContact CE1-CD1 3.87Å; F51-F268 HydrophobicContact CE1-CD1 3.87Å; F51-F268 HydrophobicContact CE1-CE1 4.2Å; F51-F268 HydrophobicContact CE2-CB 3.85Å; F51-F268 AromaticContact CE2-CD1 3.76Å; F51-F268 HydrophobicContact CE2-CD1 3.76Å; F51-F268 HydrophobicContact CE2-CG 4.15Å; F51-F268 VanDerWaalsContact CE2-O 3.29Å; F51-F268 WeakPolarHBondContact CE2-O 3.35Å; F51-F268 AromaticContact CG-CD1 3.39Å; F51-F268 HydrophobicContact CG-CD1 3.39Å; F51-F268 AromaticContact CG-CE1 3.63Å; F51-F268 HydrophobicContact CG-CE1 3.63Å; F51-F268 HydrophobicContact CG-CG 4.02Å; F51-F268 HydrophobicContact CG-CZ 4.39Å; F51-F268 AromaticContact CZ-CD1 3.93Å; F51-F268 HydrophobicContact CZ-CD1 3.93Å; F51-C271 WeakPolarHBondContact CZ-O 3.45Å; F51-V274 HydrophobicContact CE1-CB 4.05Å; F51-V274 HydrophobicContact CE1-CG2 3.65Å; F51-V274 HydrophobicContact CZ-CG2 3.84Å; F51-L324 HydrophobicContact CB-CB 4.22Å; F51-L324 WeakPolarHBondContact CD1-O 3.42Å
52	A	93	Very high	87.4	Confident	0 Å²	0	72 Å²	72	0%	0	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-58	-29.9	-175.6	0	0	0	0	0	113.9	K48 P49 A50 L54 L55 H58	K48-A52 HydrophobicContact CD-CB 3.99Å; K48-A52 HydrophobicContact CG-CB 3.49Å; K48-A52 VanDerWaalsContact CG-CB 3.49Å; P49-A52 HydrophobicContact CG-CB 4.02Å; P49-A52 WeakPolarHBondContact O-CB 3.48Å; P49-A52 PolarHBondContact O-N 2.91Å; A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 3.05Å; A52-L54 PolarHBondContact O-N 3.41Å; A52-L55 PolarHBondContact O-N 3.05Å; A52-H58 PolarHBondContact O-NE2 3.35Å
53	S	93.1	Very high	88.5	Confident	100 Å²	100	68.7 Å²	68.7	70%	0.699	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-65.9	-16.2	176	56.7	0	0	0	0	114	F51 L55	F51-S53 PolarHBondContact O-N 3.13Å; F51-S53 VanDerWaalsContact O-N 3.11Å; S53-L55 VanDerWaalsContact C-N 3.35Å
54	L	93.8	Very high	89.4	Confident	43 Å²	43	64.3 Å²	64.3	23%	0.225	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-81.4	-16	176.8	-56.8	-177.7	0	0	0	112.6	F51 A52 L241 F268 I319 L324	F51-L54 HydrophobicContact CB-CD1 4.05Å; F51-L54 HydrophobicContact CB-CG 4.48Å; F51-L54 VanDerWaalsContact O-CB 3.29Å; F51-L54 WeakPolarHBondContact O-CB 3.4Å; F51-L54 PolarHBondContact O-N 3.02Å; A52-L54 PolarHBondContact O-N 3.41Å; L54-L241 HydrophobicContact CB-CD2 3.87Å; L54-L241 HydrophobicContact CD1-CD2 4.44Å; L54-F268 HydrophobicContact CD1-CE2 3.93Å; L54-F268 HydrophobicContact CD1-CZ 4.3Å; L54-I319 HydrophobicContact CD1-CG2 3.97Å; L54-L324 HydrophobicContact CD1-CD1 3.83Å; L54-L324 HydrophobicContact CD2-CD1 4.3Å; L54-L324 HydrophobicContact CG-CD1 4.14Å
55	L	91.9	Very high	90.3	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.073	31%	0.313	C	S	.	.			trans	-107.5	128.5	-173.1	-56.1	-176	0	0	0	111.5	A52 S53 H58 F268 Y269	A52-L55 PolarHBondContact O-N 3.05Å; S53-L55 VanDerWaalsContact C-N 3.35Å; L55-H58 PolarHBondContact O-CE1 2.99Å; L55-F268 HydrophobicContact CD1-CB 4.02Å; L55-F268 WeakPolarHBondContact CD1-O 3.49Å; L55-F268 HydrophobicContact CD2-CB 4.02Å; L55-F268 HydrophobicContact CG-CB 4.39Å; L55-Y269 HydrophobicContact CD1-CD1 4.12Å; L55-Y269 HydrophobicContact CD1-CE1 4.19Å; L55-Y269 HydrophobicContact CD1-CG 4.4Å; L55-Y269 HydrophobicContact CD2-CD2 4.37Å; L55-Y269 HydrophobicContact CD2-CE1 4.39Å; L55-Y269 HydrophobicContact CD2-CE2 3.83Å
56	R	85.7	Confident	90.8	Very high	184 Å²	184	60.5 Å²	60.5	69%	0.694	32%	0.316	S	S	*	.	S	Bend	trans	-72.9	-38.1	175.1	-172.1	175.6	179.8	176.4	1.5	112.6
57	F	82.8	Confident	91.1	Very high	66 Å²	66	57 Å²	57	29%	0.289	31%	0.312	S	S	.	.			trans	-116.8	122.8	-179.5	-59.8	-85.4	0	0	0	109.3	Y76 F232 Y269	F57-Y76 HydrophobicContact CB-CE1 3.99Å; F57-Y76 AromaticContact CD1-CD1 4Å; F57-Y76 HydrophobicContact CD1-CD1 4Å; F57-Y76 AromaticContact CD1-CE1 3.59Å; F57-Y76 HydrophobicContact CD1-CE1 3.59Å; F57-Y76 AromaticContact CD2-CD1 3.83Å; F57-Y76 HydrophobicContact CD2-CD1 3.83Å; F57-Y76 HydrophobicContact CD2-CE1 4.04Å; F57-Y76 HydrophobicContact CE1-CD1 4.02Å; F57-Y76 AromaticContact CE1-CE1 3.99Å; F57-Y76 HydrophobicContact CE1-CE1 3.99Å; F57-Y76 AromaticContact CE2-CD1 3.86Å; F57-Y76 HydrophobicContact CE2-CD1 3.86Å; F57-Y76 HydrophobicContact CE2-CE1 4.4Å; F57-Y76 AromaticContact CG-CD1 3.89Å; F57-Y76 HydrophobicContact CG-CD1 3.89Å; F57-Y76 AromaticContact CG-CE1 3.6Å; F57-Y76 HydrophobicContact CG-CE1 3.6Å; F57-Y76 AromaticContact CZ-CD1 3.94Å; F57-Y76 HydrophobicContact CZ-CD1 3.94Å; F57-Y76 HydrophobicContact CZ-CE1 4.37Å; F57-F232 HydrophobicContact CD2-CE1 4.13Å; F57-F232 HydrophobicContact CD2-CE2 4.32Å; F57-F232 AromaticContact CD2-CZ 3.54Å; F57-F232 HydrophobicContact CD2-CZ 3.54Å; F57-F232 HydrophobicContact CE2-CE2 4.29Å; F57-F232 AromaticContact CE2-CZ 3.96Å; F57-F232 HydrophobicContact CE2-CZ 3.96Å; F57-Y269 WeakPolarHBondContact O-CE1 3.19Å
58	H	76	Confident	91.2	Very high	111 Å²	111	56.3 Å²	56.3	51%	0.514	30%	0.304	S	S	.	.	S	Bend	trans	-90	-19.1	-171.7	-66	67.8	0	0	0	113.3	A52 L55	A52-H58 PolarHBondContact O-NE2 3.35Å; L55-H58 PolarHBondContact O-CE1 2.99Å
59	Q	78.2	Confident	91.5	Very high	175 Å²	175	49.4 Å²	49.4	82%	0.818	27%	0.274	S	S	*	.	S	Bend	trans	-122.3	98.3	176.6	-67.3	179.3	1.7	0	0	107.8	Y76	Q59-Y76 PolarHBondContact O-OH 3.16Å
60	F	88.2	Confident	91.6	Very high	13 Å²	13	53.9 Å²	53.9	6%	0.057	29%	0.287	C	S	.	.			trans	-137.5	125.8	-179.6	179.1	-102.8	0	0	0	109.3	P62 I72 Y76 D230 F232 I233 Y269	F60-P62 HydrophobicContact CE1-CB 4.46Å; F60-P62 WeakPolarHBondContact O-CD 3.23Å; F60-I72 HydrophobicContact CE2-CG2 4.47Å; F60-Y76 HydrophobicContact CD2-CD1 4.19Å; F60-Y76 AromaticContact CD2-CD2 3.97Å; F60-Y76 HydrophobicContact CD2-CD2 3.97Å; F60-Y76 AromaticContact CD2-CE1 3.82Å; F60-Y76 HydrophobicContact CD2-CE1 3.82Å; F60-Y76 AromaticContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CD2-CG 4.26Å; F60-Y76 AromaticContact CD2-CZ 3.51Å; F60-Y76 HydrophobicContact CE2-CD1 4.37Å; F60-Y76 AromaticContact CE2-CD2 3.62Å; F60-Y76 HydrophobicContact CE2-CD2 3.62Å; F60-Y76 HydrophobicContact CE2-CE1 4.39Å; F60-Y76 AromaticContact CE2-CE2 3.65Å; F60-Y76 HydrophobicContact CE2-CE2 3.65Å; F60-Y76 HydrophobicContact CE2-CG 4.01Å; F60-D230 HydrophobicContact CE1-CB 4.08Å; F60-D230 HydrophobicContact CZ-CB 3.65Å; F60-F232 AromaticContact CD1-CD1 3.99Å; F60-F232 HydrophobicContact CD1-CD1 3.99Å; F60-F232 HydrophobicContact CD1-CE1 4.44Å; F60-F232 AromaticContact CD2-CD1 3.9Å; F60-F232 HydrophobicContact CD2-CD1 3.9Å; F60-F232 HydrophobicContact CD2-CE1 4.23Å; F60-F232 HydrophobicContact CE1-CB 4.45Å; F60-F232 AromaticContact CE1-CD1 3.69Å; F60-F232 HydrophobicContact CE1-CD1 3.69Å; F60-F232 HydrophobicContact CE2-CB 4.36Å; F60-F232 AromaticContact CE2-CD1 3.61Å; F60-F232 HydrophobicContact CE2-CD1 3.61Å; F60-F232 HydrophobicContact CE2-CE1 4.37Å; F60-F232 HydrophobicContact CE2-CG 4.26Å; F60-F232 HydrophobicContact CG-CD1 4.08Å; F60-F232 HydrophobicContact CG-CE1 4.27Å; F60-F232 HydrophobicContact CZ-CB 3.85Å; F60-F232 AromaticContact CZ-CD1 3.51Å; F60-F232 HydrophobicContact CZ-CD1 3.51Å; F60-F232 HydrophobicContact CZ-CG 4.08Å; F60-I233 HydrophobicContact CD1-CD1 3.72Å; F60-I233 HydrophobicContact CE1-CD1 3.56Å; F60-I233 HydrophobicContact CE1-CG1 3.88Å; F60-Y269 HydrophobicContact CB-CD1 3.59Å; F60-Y269 HydrophobicContact CB-CE1 3.71Å; F60-Y269 HydrophobicContact CB-CG 4.5Å; F60-Y269 HydrophobicContact CD1-CD1 4.16Å; F60-Y269 HydrophobicContact CD1-CE1 4.31Å; F60-Y269 HydrophobicContact CD1-CG 4.37Å; F60-Y269 HydrophobicContact CG-CD1 4.28Å; F60-Y269 HydrophobicContact CG-CE1 4.25Å
61	H	92	Very high	91.5	Very high	35 Å²	35	58.9 Å²	58.9	16%	0.162	30%	0.297	C	S	.	.			trans	-87	115.9	176.1	-172.3	87.9	0	0	0	109	R39 F63 C104	R39-H61 PolarHBondContact NE-CD2 3.15Å; H61-F63 VanDerWaalsContact C-N 3.28Å; H61-F63 PolarHBondContact CD2-O 3.13Å; H61-F63 PolarHBondContact O-N 3.19Å; H61-C104 PolarHBondContact CE1-O 2.64Å; H61-C104 PolarHBondContact NE2-O 3.08Å
62	P	95.5	Very high	91.5	Very high	1 Å²	1	60 Å²	60	1%	0.006	30%	0.303	C	S	.	.			trans	-77.2	-8.8	-165.1	31.5	-38.2	0	0	0	115	F60 L106 L229 D230 I233 L266 I270	F60-P62 HydrophobicContact CE1-CB 4.46Å; F60-P62 WeakPolarHBondContact O-CD 3.23Å; P62-L106 HydrophobicContact CG-CD1 3.96Å; P62-L229 HydrophobicContact CB-CD1 4.35Å; P62-D230 PolarHBondContact O-N 2.78Å; P62-I233 HydrophobicContact CB-CD1 4.33Å; P62-I233 HydrophobicContact CB-CG1 4.32Å; P62-L266 HydrophobicContact CB-CD1 3.39Å; P62-L266 HydrophobicContact CG-CD1 3.6Å; P62-I270 HydrophobicContact CG-CG2 3.8Å
63	F	97.3	Very high	91.6	Very high	1 Å²	1	60.1 Å²	60.1	0%	0.004	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-112	131.8	-174.6	-52.8	-34	0	0	0	112.3	H61 L106 F163 I185 R227 I228 L229 L266	H61-F63 VanDerWaalsContact C-N 3.28Å; H61-F63 PolarHBondContact CD2-O 3.13Å; H61-F63 PolarHBondContact O-N 3.19Å; F63-L106 HydrophobicContact CD2-CD1 4.23Å; F63-L106 HydrophobicContact CE2-CD1 3.46Å; F63-L106 VanDerWaalsContact CE2-CD1 3.46Å; F63-L106 HydrophobicContact CZ-CD1 3.79Å; F63-F163 HydrophobicContact CE2-CE1 4.08Å; F63-F163 HydrophobicContact CZ-CD1 4.32Å; F63-F163 HydrophobicContact CZ-CE1 4.06Å; F63-I185 HydrophobicContact CD1-CG2 4.45Å; F63-I185 HydrophobicContact CE1-CD1 3.6Å; F63-I185 HydrophobicContact CE1-CG1 3.84Å; F63-I185 HydrophobicContact CE1-CG2 4.02Å; F63-I185 HydrophobicContact CZ-CD1 3.58Å; F63-I185 HydrophobicContact CZ-CG1 3.94Å; F63-R227 HydrophobicContact CB-CB 4.29Å; F63-R227 HydrophobicContact CD1-CB 3.97Å; F63-R227 HydrophobicContact CD2-CB 4.02Å; F63-R227 HydrophobicContact CD2-CG 3.71Å; F63-R227 HydrophobicContact CE1-CB 4.34Å; F63-R227 HydrophobicContact CE2-CB 4.33Å; F63-R227 HydrophobicContact CE2-CG 3.93Å; F63-R227 HydrophobicContact CG-CB 3.83Å; F63-R227 HydrophobicContact CG-CG 4.05Å; F63-R227 HydrophobicContact CZ-CG 4.49Å; F63-I228 WeakPolarHBondContact CA-O 3.24Å; F63-L229 HydrophobicContact CD1-CD1 4.45Å; F63-L229 HydrophobicContact CE1-CD1 4.3Å; F63-L266 HydrophobicContact CE1-CD1 4.25Å
64	L	96.5	Very high	91.7	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	29%	0.294	C	S	.	.			trans	-70.8	137.8	179.3	-61.5	-179.6	0	0	0	110.9	F69 M87 F94 L98 C104 I228 D230	L64-F69 HydrophobicContact CB-CB 4.14Å; L64-F69 HydrophobicContact CD2-CB 4.13Å; L64-M87 HydrophobicContact CD1-CE 3.8Å; L64-M87 HydrophobicContact CD2-CE 4.05Å; L64-F94 HydrophobicContact CD1-CD1 3.49Å; L64-F94 VanDerWaalsContact CD1-CD1 3.49Å; L64-F94 HydrophobicContact CD1-CE1 3.51Å; L64-F94 HydrophobicContact CD1-CG 4.33Å; L64-F94 HydrophobicContact CD1-CZ 4.38Å; L64-L98 HydrophobicContact CB-CD1 3.95Å; L64-L98 HydrophobicContact CB-CD2 3.96Å; L64-L98 VanDerWaalsContact O-CD2 3.29Å; L64-L98 WeakPolarHBondContact O-CD2 3.48Å; L64-C104 VanDerWaalsContact O-CB 3.27Å; L64-C104 WeakPolarHBondContact O-CB 3.5Å; L64-I228 HydrophobicContact CD1-CG2 4.14Å; L64-I228 PolarHBondContact N-O 3.31Å; L64-D230 HydrophobicContact CD2-CB 3.74Å; L64-D230 WeakPolarHBondContact CD2-OD2 3.49Å; L64-D230 HydrophobicContact CG-CB 4.2Å
65	C	95.5	Very high	91.8	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.054	31%	0.312	C	S	.	.			trans	-112.8	139.4	174	-55.9	0	0	0	0	110	M36 R39 A67 D68 F69 C104	M36-C65 HydrophobicContact SD-CB 4.17Å; R39-C65 PolarHBondContact NE-SG 3.24Å; R39-C65 VanDerWaalsContact NE-SG 3.39Å; C65-A67 PolarHBondContact O-N 3Å; C65-A67 VanDerWaalsContact O-N 3.13Å; C65-D68 PolarHBondContact O-N 3.37Å; C65-F69 WeakPolarHBondContact O-CB 3.49Å; C65-F69 PolarHBondContact O-N 3.2Å; C65-C104 HydrophobicContact CB-CB 3.85Å; C65-C104 WeakPolarHBondContact CB-SG 3.49Å; C65-C104 WeakPolarHBondContact SG-CB 3.36Å; C65-C104 CovalentContact SG-SG 2.03Å; C65-C104 PolarHBondContact SG-SG 3.21Å
66	A	94.7	Very high	91.9	Very high	42 Å²	42	63.6 Å²	63.6	35%	0.347	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34.5	-179.4	0	0	0	0	0	113	M36 D68 L98	M36-A66 HydrophobicContact CE-CB 4.35Å; M36-A66 HydrophobicContact SD-CB 4.13Å; M36-A66 PolarHBondContact SD-N 2.63Å; M36-A66 VanDerWaalsContact SD-N 3.35Å; A66-D68 PolarHBondContact O-N 2.87Å; A66-L98 HydrophobicContact CB-CB 4.06Å
67	A	92.2	Very high	92.3	Very high	101 Å²	101	55.3 Å²	55.3	84%	0.835	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-29.6	-175.5	0	0	0	0	0	114.7	C65	C65-A67 PolarHBondContact O-N 3Å; C65-A67 VanDerWaalsContact O-N 3.13Å
68	D	93.1	Very high	92.9	Very high	44 Å²	44	52.1 Å²	52.1	24%	0.235	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-141.2	1.3	-168.3	75.6	-10.2	0	0	0	116	R39 C65 A66 R70 K71 I72	R39-D68 IonicContact CZ-OD1 3.17Å; R39-D68 IonicContact CZ-OD2 3.94Å; R39-D68 VanDerWaalsContact CZ-OD2 3.25Å; R39-D68 IonicContact NH1-OD1 2.8Å; R39-D68 IonicContact NH1-OD2 2.72Å; R39-D68 PolarHBondContact NH1-OD2 3.25Å; R39-D68 IonicContact NH2-OD1 3.21Å; R39-D68 PolarHBondContact NH2-OD1 2.95Å; R39-D68 IonicContact NH2-OD2 3.81Å; R39-D68 PolarHBondContact NH2-OD2 2.95Å; R39-D68 VanDerWaalsContact NH2-OD2 3.17Å; C65-D68 PolarHBondContact O-N 3.37Å; A66-D68 PolarHBondContact O-N 2.87Å; D68-R70 PolarHBondContact O-N 3.07Å; D68-K71 WeakPolarHBondContact O-CA 3.47Å; D68-K71 WeakPolarHBondContact O-CB 3.35Å; D68-K71 PolarHBondContact O-N 3.32Å; D68-I72 HydrophobicContact CB-CG1 4.48Å; D68-I72 PolarHBondContact O-N 3.34Å
69	F	95.8	Very high	93.9	Very high	7 Å²	7	49.6 Å²	49.6	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-53.6	-35.6	-173.6	77.4	-79.3	0	0	0	113.9	L64 C65 A73 M87 F94 R95 L98	L64-F69 HydrophobicContact CB-CB 4.14Å; L64-F69 HydrophobicContact CD2-CB 4.13Å; C65-F69 WeakPolarHBondContact O-CB 3.49Å; C65-F69 PolarHBondContact O-N 3.2Å; F69-A73 VanDerWaalsContact O-CB 3.22Å; F69-A73 WeakPolarHBondContact O-CB 3.41Å; F69-A73 PolarHBondContact O-N 3.46Å; F69-M87 HydrophobicContact CD2-CE 4.26Å; F69-M87 HydrophobicContact CD2-SD 3.68Å; F69-M87 HydrophobicContact CE2-SD 4.06Å; F69-F94 HydrophobicContact CD2-CB 4.27Å; F69-F94 HydrophobicContact CE2-CB 3.9Å; F69-R95 HydrophobicContact CE1-CB 4.29Å; F69-R95 HydrophobicContact CE1-CG 4.35Å; F69-R95 HydrophobicContact CZ-CB 3.82Å; F69-R95 HydrophobicContact CZ-CG 4.29Å; F69-L98 HydrophobicContact CB-CD1 4.02Å; F69-L98 HydrophobicContact CD1-CD1 3.81Å; F69-L98 HydrophobicContact CD2-CD1 4.23Å; F69-L98 HydrophobicContact CE1-CD1 4.34Å; F69-L98 HydrophobicContact CG-CD1 3.75Å
70	R	96.2	Very high	94.8	Very high	123 Å²	123	47.9 Å²	47.9	46%	0.464	26%	0.255	S	S	.	.	H	α-helix	trans	-67.5	-40.5	176.6	-65.6	-176	-179	-94.6	2.1	112.5	D68 A73 S74 E92	D68-R70 PolarHBondContact O-N 3.07Å; R70-A73 PolarHBondContact O-N 3.24Å; R70-S74 PolarHBondContact O-N 3.15Å; R70-E92 IonicContact NH2-OE2 3.7Å
71	K	95.7	Very high	95.1	Very high	166 Å²	166	50.1 Å²	50.1	72%	0.722	27%	0.265	S	S	*	.	H	α-helix	trans	-65.5	-46.1	177.3	-179.2	-177.2	176.8	-177.8	0	110.2	D68 A73 S74 L75	D68-K71 WeakPolarHBondContact O-CA 3.47Å; D68-K71 WeakPolarHBondContact O-CB 3.35Å; D68-K71 PolarHBondContact O-N 3.32Å; K71-A73 VanDerWaalsContact C-N 3.33Å; K71-S74 PolarHBondContact O-N 3.11Å; K71-L75 PolarHBondContact O-N 2.92Å
72	I	93.7	Very high	95.3	Very high	24 Å²	24	50.9 Å²	50.9	12%	0.123	27%	0.27	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.6	-62.8	-56.7	0	0	0	110.6	F60 D68 S74 L75 Y76	F60-I72 HydrophobicContact CE2-CG2 4.47Å; D68-I72 HydrophobicContact CB-CG1 4.48Å; D68-I72 PolarHBondContact O-N 3.34Å; I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 3.26Å; I72-L75 WeakPolarHBondContact O-CB 3.28Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L75 VanDerWaalsContact O-N 3.16Å; I72-Y76 HydrophobicContact CG2-CD2 3.72Å; I72-Y76 HydrophobicContact CG2-CE2 3.89Å; I72-Y76 VanDerWaalsContact O-CD2 3.31Å; I72-Y76 WeakPolarHBondContact O-CD2 3.31Å; I72-Y76 PolarHBondContact O-N 3.39Å
73	A	95.8	Very high	95.4	Very high	2 Å²	2	52 Å²	52	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-59.7	-39.7	177.2	0	0	0	0	0	112.6	F69 R70 K71 G77 S78 D79 M87	F69-A73 VanDerWaalsContact O-CB 3.22Å; F69-A73 WeakPolarHBondContact O-CB 3.41Å; F69-A73 PolarHBondContact O-N 3.46Å; R70-A73 PolarHBondContact O-N 3.24Å; K71-A73 VanDerWaalsContact C-N 3.33Å; A73-G77 CarbonylContact O-C 3.4Å; A73-G77 WeakPolarHBondContact O-CA 3.49Å; A73-G77 PolarHBondContact O-N 3.26Å; A73-S78 PolarHBondContact O-N 2.78Å; A73-D79 PolarHBondContact O-N 3.4Å; A73-M87 HydrophobicContact CB-CE 3.8Å; A73-M87 HydrophobicContact CB-CG 4.01Å; A73-M87 HydrophobicContact CB-SD 3.46Å; A73-M87 WeakPolarHBondContact CB-SD 3.46Å
74	S	96.2	Very high	95.4	Very high	69 Å²	69	52.4 Å²	52.4	48%	0.483	28%	0.279	S	S	.	.	H	α-helix	trans	-68.6	-41.4	175.6	-160.1	0	0	0	0	112.5	R70 K71 I72 Y76 G77 D79	R70-S74 PolarHBondContact O-N 3.15Å; K71-S74 PolarHBondContact O-N 3.11Å; I72-S74 VanDerWaalsContact C-N 3.3Å; I72-S74 PolarHBondContact O-N 3.26Å; S74-Y76 PolarHBondContact O-N 3.41Å; S74-G77 PolarHBondContact O-N 3.47Å; S74-D79 WeakPolarHBondContact CA-OD2 3.44Å; S74-D79 WeakPolarHBondContact CB-OD2 3.32Å; S74-D79 PolarHBondContact OG-OD2 3.14Å; S74-D79 VanDerWaalsContact OG-OD2 3.08Å
75	L	94.1	Very high	95.4	Very high	118 Å²	118	53.2 Å²	53.2	62%	0.618	28%	0.282	S	S	*	.	H	α-helix	trans	-58.9	-45	178.6	-179.6	61.2	0	0	0	112.5	K71 I72	K71-L75 PolarHBondContact O-N 2.92Å; I72-L75 WeakPolarHBondContact O-CB 3.28Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L75 VanDerWaalsContact O-N 3.16Å
76	Y	94.1	Very high	95.5	Very high	43 Å²	43	52.9 Å²	52.9	17%	0.169	28%	0.279	C	S	.	.	H	α-helix	trans	-94.3	-0.5	-179.2	-62.5	-76.4	0	0	0	113.5	F57 Q59 F60 I72 S74 R235	F57-Y76 HydrophobicContact CB-CE1 3.99Å; F57-Y76 AromaticContact CD1-CD1 4Å; F57-Y76 HydrophobicContact CD1-CD1 4Å; F57-Y76 AromaticContact CD1-CE1 3.59Å; F57-Y76 HydrophobicContact CD1-CE1 3.59Å; F57-Y76 AromaticContact CD2-CD1 3.83Å; F57-Y76 HydrophobicContact CD2-CD1 3.83Å; F57-Y76 HydrophobicContact CD2-CE1 4.04Å; F57-Y76 HydrophobicContact CE1-CD1 4.02Å; F57-Y76 AromaticContact CE1-CE1 3.99Å; F57-Y76 HydrophobicContact CE1-CE1 3.99Å; F57-Y76 AromaticContact CE2-CD1 3.86Å; F57-Y76 HydrophobicContact CE2-CD1 3.86Å; F57-Y76 HydrophobicContact CE2-CE1 4.4Å; F57-Y76 AromaticContact CG-CD1 3.89Å; F57-Y76 HydrophobicContact CG-CD1 3.89Å; F57-Y76 AromaticContact CG-CE1 3.6Å; F57-Y76 HydrophobicContact CG-CE1 3.6Å; F57-Y76 AromaticContact CZ-CD1 3.94Å; F57-Y76 HydrophobicContact CZ-CD1 3.94Å; F57-Y76 HydrophobicContact CZ-CE1 4.37Å; Q59-Y76 PolarHBondContact O-OH 3.16Å; F60-Y76 HydrophobicContact CD2-CD1 4.19Å; F60-Y76 AromaticContact CD2-CD2 3.97Å; F60-Y76 HydrophobicContact CD2-CD2 3.97Å; F60-Y76 AromaticContact CD2-CE1 3.82Å; F60-Y76 HydrophobicContact CD2-CE1 3.82Å; F60-Y76 AromaticContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CD2-CE2 3.59Å; F60-Y76 HydrophobicContact CD2-CG 4.26Å; F60-Y76 AromaticContact CD2-CZ 3.51Å; F60-Y76 HydrophobicContact CE2-CD1 4.37Å; F60-Y76 AromaticContact CE2-CD2 3.62Å; F60-Y76 HydrophobicContact CE2-CD2 3.62Å; F60-Y76 HydrophobicContact CE2-CE1 4.39Å; F60-Y76 AromaticContact CE2-CE2 3.65Å; F60-Y76 HydrophobicContact CE2-CE2 3.65Å; F60-Y76 HydrophobicContact CE2-CG 4.01Å; I72-Y76 HydrophobicContact CG2-CD2 3.72Å; I72-Y76 HydrophobicContact CG2-CE2 3.89Å; I72-Y76 VanDerWaalsContact O-CD2 3.31Å; I72-Y76 WeakPolarHBondContact O-CD2 3.31Å; I72-Y76 PolarHBondContact O-N 3.39Å; S74-Y76 PolarHBondContact O-N 3.41Å; Y76-R235 PolarHBondContact O-NH2 3.03Å
77	G	94.9	Very high	95.7	Very high	10 Å²	10	51 Å²	51	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	75	19.6	180	0	0	0	0	0	115	A73 S74 D79 K80 F81 R235	A73-G77 CarbonylContact O-C 3.4Å; A73-G77 WeakPolarHBondContact O-CA 3.49Å; A73-G77 PolarHBondContact O-N 3.26Å; S74-G77 PolarHBondContact O-N 3.47Å; G77-D79 WeakPolarHBondContact CA-OD1 3.45Å; G77-D79 PolarHBondContact O-N 2.71Å; G77-K80 WeakPolarHBondContact O-CB 3.27Å; G77-K80 PolarHBondContact O-N 2.98Å; G77-F81 WeakPolarHBondContact O-CD2 3.35Å; G77-R235 PolarHBondContact O-NH1 3.41Å; G77-R235 VanDerWaalsContact O-NH1 3.16Å
78	S	95.7	Very high	95.9	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-67.4	-15.9	171.6	-58.6	0	0	0	0	113.7	A73 K80 G86 M87 R235	A73-S78 PolarHBondContact O-N 2.78Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.33Å; S78-G86 CarbonylContact O-C 3.36Å; S78-G86 WeakPolarHBondContact O-CA 3.39Å; S78-M87 PolarHBondContact O-N 2.87Å; S78-R235 VanDerWaalsContact CA-NH1 3.34Å; S78-R235 PolarHBondContact OG-NH2 2.8Å; S78-R235 VanDerWaalsContact OG-NH2 3.13Å
79	D	96.4	Very high	96.1	Very high	57 Å²	57	55.4 Å²	55.4	31%	0.305	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-75.3	-11	169.7	61.4	-11.2	0	0	0	114.1	A73 S74 G77 R88	A73-D79 PolarHBondContact O-N 3.4Å; S74-D79 WeakPolarHBondContact CA-OD2 3.44Å; S74-D79 WeakPolarHBondContact CB-OD2 3.32Å; S74-D79 PolarHBondContact OG-OD2 3.14Å; S74-D79 VanDerWaalsContact OG-OD2 3.08Å; G77-D79 WeakPolarHBondContact CA-OD1 3.45Å; G77-D79 PolarHBondContact O-N 2.71Å; D79-R88 WeakPolarHBondContact O-CB 3.01Å; D79-R88 WeakPolarHBondContact O-CG 3.32Å
80	K	96.6	Very high	96.2	Very high	140 Å²	140	55.1 Å²	55.1	61%	0.609	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-92.3	-13.1	179.8	-63.2	173	-172.8	177.1	0	114	G77 S78 R88	G77-K80 WeakPolarHBondContact O-CB 3.27Å; G77-K80 PolarHBondContact O-N 2.98Å; S78-K80 VanDerWaalsContact C-N 3.28Å; S78-K80 PolarHBondContact O-N 3.33Å; K80-R88 PolarHBondContact O-NH1 2.93Å; K80-R88 VanDerWaalsContact O-NH1 3.12Å
81	F	96.1	Very high	96.3	Very high	59 Å²	59	50 Å²	50	26%	0.259	25%	0.248	S	C	.	.	S	Bend	trans	-122.1	150.7	-175.6	-62	-99	0	0	0	110.5	G77 G86 M87 R88 Y239	G77-F81 WeakPolarHBondContact O-CD2 3.35Å; F81-G86 CarbonylContact O-C 3.18Å; F81-G86 VanDerWaalsContact O-CA 3.26Å; F81-G86 WeakPolarHBondContact O-CA 3.19Å; F81-M87 PolarHBondContact O-N 2.72Å; F81-R88 VanDerWaalsContact O-CB 3.26Å; F81-R88 WeakPolarHBondContact O-CB 3.46Å; F81-R88 PolarHBondContact O-N 2.85Å; F81-Y239 HydrophobicContact CD1-CE2 4.39Å; F81-Y239 HydrophobicContact CE1-CE2 4.03Å
82	D	96.4	Very high	96.3	Very high	52 Å²	52	46.1 Å²	46.1	28%	0.278	23%	0.233	S	C	.	.			trans	-84.7	167.6	168.6	-64.4	-45.6	0	0	0	110.8	Y85 G86 R88 T89	D82-Y85 CarbonylContact O-C 3.59Å; D82-Y85 PolarHBondContact O-N 2.03Å; D82-G86 CarbonylContact C-O 3.58Å; D82-G86 PolarHBondContact O-N 3.34Å; D82-R88 WeakPolarHBondContact OD1-CB 3.18Å; D82-R88 IonicContact OD1-CZ 3.6Å; D82-R88 IonicContact OD1-NE 2.95Å; D82-R88 PolarHBondContact OD1-NE 2.93Å; D82-R88 IonicContact OD1-NH2 2.67Å; D82-R88 IonicContact OD2-CZ 3.51Å; D82-R88 IonicContact OD2-NE 2.87Å; D82-R88 IonicContact OD2-NH2 3.82Å; D82-R88 PolarHBondContact OD2-NH2 3.23Å; D82-T89 VanDerWaalsContact OD1-CB 3.32Å; D82-T89 WeakPolarHBondContact OD1-CB 3.2Å; D82-T89 WeakPolarHBondContact OD1-CG2 3.42Å; D82-T89 PolarHBondContact OD1-N 2.9Å; D82-T89 VanDerWaalsContact OD1-N 3.17Å; D82-T89 PolarHBondContact OD1-OG1 3.07Å
83	L	97.1	Very high	96.6	Very high	23 Å²	23	48.3 Å²	48.3	12%	0.12	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	141.4	168.8	-81.9	173.9	0	0	0	110.4	G86 F94 A188 K190 L194 P231	L83-G86 WeakPolarHBondContact CA-O 3.46Å; L83-G86 WeakPolarHBondContact CD2-O 3.29Å; L83-G86 WeakPolarHBondContact CG-O 3.32Å; L83-G86 PolarHBondContact N-O 3.4Å; L83-F94 HydrophobicContact CD1-CE2 4.18Å; L83-F94 HydrophobicContact CD1-CZ 4.45Å; L83-F94 HydrophobicContact CD2-CE2 4.02Å; L83-F94 HydrophobicContact CD2-CZ 3.77Å; L83-F94 HydrophobicContact CG-CE2 4.15Å; L83-F94 HydrophobicContact CG-CZ 4.39Å; L83-A188 HydrophobicContact CD2-CB 4.19Å; L83-A188 WeakPolarHBondContact CD2-O 3.22Å; L83-K190 VanDerWaalsContact CD1-C 3.49Å; L83-L194 HydrophobicContact CD1-CD1 4.05Å; L83-P231 HydrophobicContact CD2-CG 4.01Å
84	P	96.5	Very high	96.7	Very high	11 Å²	11	48.2 Å²	48.2	7%	0.071	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	cis	-87.5	5.4	7.3	36.4	-38.2	0	0	0	114.9	F189 I234 H256	P84-F189 HydrophobicContact CB-CB 4.45Å; P84-F189 HydrophobicContact CB-CD1 3.84Å; P84-F189 HydrophobicContact CG-CD1 4.47Å; P84-I234 HydrophobicContact CB-CD1 4.37Å; P84-I234 HydrophobicContact CB-CG2 4.2Å; P84-I234 WeakPolarHBondContact O-CB 3.45Å; P84-H256 WeakPolarHBondContact CG-ND1 3.21Å
85	Y	97.2	Very high	96.7	Very high	19 Å²	19	49.9 Å²	49.9	8%	0.075	24%	0.235	C	C	.	.	S	Bend	trans	-104.2	-2.7	-169.4	-53.9	-52.8	0	0	0	114.3	D82 I234 R235 A238 Y239 K255 H256	D82-Y85 CarbonylContact O-C 3.59Å; D82-Y85 PolarHBondContact O-N 2.03Å; Y85-I234 HydrophobicContact CD1-CG2 4.23Å; Y85-I234 HydrophobicContact CE1-CG2 4.2Å; Y85-R235 HydrophobicContact CD1-CB 4.29Å; Y85-R235 PolarHBondContact O-NH1 2.67Å; Y85-A238 HydrophobicContact CD1-CB 4.26Å; Y85-A238 HydrophobicContact CE1-CB 3.5Å; Y85-A238 VanDerWaalsContact CE1-CB 3.5Å; Y85-Y239 HydrophobicContact CD2-CE2 4.45Å; Y85-Y239 AromaticContact CD2-CZ 3.96Å; Y85-Y239 VanDerWaalsContact CD2-OH 3.24Å; Y85-Y239 WeakPolarHBondContact CD2-OH 3.4Å; Y85-Y239 HydrophobicContact CE2-CE1 4.48Å; Y85-Y239 WeakPolarHBondContact CE2-OH 3.33Å; Y85-Y239 HydrophobicContact CG-CE2 4.36Å; Y85-K255 PolarHBondContact OH-O 3Å; Y85-H256 AromaticContact CZ-CE1 3.9Å; Y85-H256 AromaticContact CZ-ND1 3.43Å; Y85-H256 PolarHBondContact OH-CE1 2.85Å; Y85-H256 PolarHBondContact OH-ND1 2.93Å
86	G	97.6	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.			trans	-172.3	-162.3	-179.3	0	0	0	0	0	110.8	S78 F81 D82 L83	S78-G86 CarbonylContact O-C 3.36Å; S78-G86 WeakPolarHBondContact O-CA 3.39Å; F81-G86 CarbonylContact O-C 3.18Å; F81-G86 VanDerWaalsContact O-CA 3.26Å; F81-G86 WeakPolarHBondContact O-CA 3.19Å; D82-G86 CarbonylContact C-O 3.58Å; D82-G86 PolarHBondContact O-N 3.34Å; L83-G86 WeakPolarHBondContact CA-O 3.46Å; L83-G86 WeakPolarHBondContact CD2-O 3.29Å; L83-G86 WeakPolarHBondContact CG-O 3.32Å; L83-G86 PolarHBondContact N-O 3.4Å
87	M	97.5	Very high	97	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.02	21%	0.212	C	C	.	.			trans	-137.1	11.9	-173.8	64.4	177.2	71.7	0	0	114.3	L64 F69 A73 S78 F81 T89 S90 A91 F94	L64-M87 HydrophobicContact CD1-CE 3.8Å; L64-M87 HydrophobicContact CD2-CE 4.05Å; F69-M87 HydrophobicContact CD2-CE 4.26Å; F69-M87 HydrophobicContact CD2-SD 3.68Å; F69-M87 HydrophobicContact CE2-SD 4.06Å; A73-M87 HydrophobicContact CB-CE 3.8Å; A73-M87 HydrophobicContact CB-CG 4.01Å; A73-M87 HydrophobicContact CB-SD 3.46Å; A73-M87 WeakPolarHBondContact CB-SD 3.46Å; S78-M87 PolarHBondContact O-N 2.87Å; F81-M87 PolarHBondContact O-N 2.72Å; M87-T89 PolarHBondContact O-N 3.42Å; M87-S90 CarbonylContact O-C 3.55Å; M87-S90 PolarHBondContact O-N 2.77Å; M87-A91 PolarHBondContact O-N 3.05Å; M87-F94 HydrophobicContact CB-CD2 3.57Å; M87-F94 HydrophobicContact CB-CE2 3.41Å; M87-F94 VanDerWaalsContact CB-CE2 3.41Å; M87-F94 HydrophobicContact CB-CZ 4.36Å
88	R	97.6	Very high	97.1	Very high	141 Å²	141	44.5 Å²	44.5	53%	0.532	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.1	-57.1	-173.6	-179.6	176	62.8	-174.5	7.4	113.8	D79 K80 F81 D82	D79-R88 WeakPolarHBondContact O-CB 3.01Å; D79-R88 WeakPolarHBondContact O-CG 3.32Å; K80-R88 PolarHBondContact O-NH1 2.93Å; K80-R88 VanDerWaalsContact O-NH1 3.12Å; F81-R88 VanDerWaalsContact O-CB 3.26Å; F81-R88 WeakPolarHBondContact O-CB 3.46Å; F81-R88 PolarHBondContact O-N 2.85Å; D82-R88 WeakPolarHBondContact OD1-CB 3.18Å; D82-R88 IonicContact OD1-CZ 3.6Å; D82-R88 IonicContact OD1-NE 2.95Å; D82-R88 PolarHBondContact OD1-NE 2.93Å; D82-R88 IonicContact OD1-NH2 2.67Å; D82-R88 IonicContact OD2-CZ 3.51Å; D82-R88 IonicContact OD2-NE 2.87Å; D82-R88 IonicContact OD2-NH2 3.82Å; D82-R88 PolarHBondContact OD2-NH2 3.23Å
89	T	97.6	Very high	97.1	Very high	96 Å²	96	47 Å²	47	59%	0.589	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-5	179	53.5	0	0	0	0	114	D82 M87	D82-T89 VanDerWaalsContact OD1-CB 3.32Å; D82-T89 WeakPolarHBondContact OD1-CB 3.2Å; D82-T89 WeakPolarHBondContact OD1-CG2 3.42Å; D82-T89 PolarHBondContact OD1-N 2.9Å; D82-T89 VanDerWaalsContact OD1-N 3.17Å; D82-T89 PolarHBondContact OD1-OG1 3.07Å; M87-T89 PolarHBondContact O-N 3.42Å
90	S	97.8	Very high	97.1	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	2.6	-171.8	-55.1	0	0	0	0	113.6	M87 E92 Y93 F94 P191	M87-S90 CarbonylContact O-C 3.55Å; M87-S90 PolarHBondContact O-N 2.77Å; S90-E92 PolarHBondContact O-N 2.87Å; S90-E92 VanDerWaalsContact O-N 3.08Å; S90-Y93 WeakPolarHBondContact O-CB 3.35Å; S90-Y93 PolarHBondContact O-N 3.38Å; S90-F94 WeakPolarHBondContact O-CD2 3.24Å; S90-F94 PolarHBondContact O-N 3.13Å; S90-F94 VanDerWaalsContact O-N 3.13Å; S90-P191 WeakPolarHBondContact OG-CG 3.36Å
91	A	97.5	Very high	97.1	Very high	14 Å²	14	41.7 Å²	41.7	12%	0.116	20%	0.199	C	C	.	.	H	α-helix	trans	-57	-31.1	-172.2	0	0	0	0	0	113.3	M87 R95	M87-A91 PolarHBondContact O-N 3.05Å; A91-R95 PolarHBondContact O-N 2.99Å
92	E	97.1	Very high	97	Very high	86 Å²	86	42.1 Å²	42.1	40%	0.402	20%	0.201	S	C	.	.	H	α-helix	trans	-73.5	-37.3	177.4	-171.4	56.4	-163.1	0	0	113.1	R70 S90 F94 R95 L96	R70-E92 IonicContact NH2-OE2 3.7Å; S90-E92 PolarHBondContact O-N 2.87Å; S90-E92 VanDerWaalsContact O-N 3.08Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 3.47Å; E92-R95 VanDerWaalsContact CD-NE 3.26Å; E92-R95 WeakPolarHBondContact O-CB 3.49Å; E92-R95 PolarHBondContact O-N 3.08Å; E92-R95 IonicContact OE1-CZ 3.15Å; E92-R95 IonicContact OE1-NE 3.25Å; E92-R95 PolarHBondContact OE1-NE 3.02Å; E92-R95 IonicContact OE1-NH2 2.63Å; E92-R95 PolarHBondContact OE1-NH2 3.01Å; E92-R95 WeakPolarHBondContact OE2-CD 3.39Å; E92-R95 IonicContact OE2-CZ 3.97Å; E92-R95 IonicContact OE2-NE 2.68Å; E92-R95 PolarHBondContact OE2-NE 3.42Å; E92-L96 HydrophobicContact CG-CD1 4.41Å; E92-L96 WeakPolarHBondContact O-CG 3.41Å; E92-L96 PolarHBondContact O-N 3.12Å
93	Y	98	Very high	96.8	Very high	70 Å²	70	40.1 Å²	40.1	28%	0.275	19%	0.192	S	C	.	.	H	α-helix	trans	-62.2	-41.6	171.8	-67	-88.7	0	0	0	111.2	S90 A97 P191 R195	S90-Y93 WeakPolarHBondContact O-CB 3.35Å; S90-Y93 PolarHBondContact O-N 3.38Å; Y93-A97 WeakPolarHBondContact O-CB 3.24Å; Y93-A97 PolarHBondContact O-N 2.76Å; Y93-P191 HydrophobicContact CD1-CB 4.47Å; Y93-P191 HydrophobicContact CD2-CB 3.99Å; Y93-P191 HydrophobicContact CE1-CB 4.47Å; Y93-P191 HydrophobicContact CE2-CB 3.99Å; Y93-P191 HydrophobicContact CG-CB 4.24Å; Y93-R195 HydrophobicContact CD1-CB 4.08Å; Y93-R195 HydrophobicContact CE1-CB 4.12Å; Y93-R195 PolarHBondContact OH-NH2 2.99Å
94	F	98.4	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.3	-47.9	173.3	-80.1	-75	0	0	0	111.5	L64 F69 L83 M87 S90 E92 L96 A97 L98 L194 I228 P231	L64-F94 HydrophobicContact CD1-CD1 3.49Å; L64-F94 VanDerWaalsContact CD1-CD1 3.49Å; L64-F94 HydrophobicContact CD1-CE1 3.51Å; L64-F94 HydrophobicContact CD1-CG 4.33Å; L64-F94 HydrophobicContact CD1-CZ 4.38Å; F69-F94 HydrophobicContact CD2-CB 4.27Å; F69-F94 HydrophobicContact CE2-CB 3.9Å; L83-F94 HydrophobicContact CD1-CE2 4.18Å; L83-F94 HydrophobicContact CD1-CZ 4.45Å; L83-F94 HydrophobicContact CD2-CE2 4.02Å; L83-F94 HydrophobicContact CD2-CZ 3.77Å; L83-F94 HydrophobicContact CG-CE2 4.15Å; L83-F94 HydrophobicContact CG-CZ 4.39Å; M87-F94 HydrophobicContact CB-CD2 3.57Å; M87-F94 HydrophobicContact CB-CE2 3.41Å; M87-F94 VanDerWaalsContact CB-CE2 3.41Å; M87-F94 HydrophobicContact CB-CZ 4.36Å; S90-F94 WeakPolarHBondContact O-CD2 3.24Å; S90-F94 PolarHBondContact O-N 3.13Å; S90-F94 VanDerWaalsContact O-N 3.13Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 3.47Å; F94-L96 VanDerWaalsContact C-N 3.33Å; F94-L96 PolarHBondContact O-N 3.39Å; F94-A97 PolarHBondContact O-N 3.33Å; F94-L98 HydrophobicContact CB-CD1 4.45Å; F94-L98 VanDerWaalsContact O-CB 3.24Å; F94-L98 WeakPolarHBondContact O-CB 3.35Å; F94-L98 WeakPolarHBondContact O-CD1 3.08Å; F94-L98 WeakPolarHBondContact O-CG 3.39Å; F94-L98 PolarHBondContact O-N 3.49Å; F94-L194 HydrophobicContact CD1-CD1 3.78Å; F94-L194 HydrophobicContact CD1-CD2 3.78Å; F94-L194 HydrophobicContact CD1-CG 4.45Å; F94-L194 HydrophobicContact CD2-CD1 3.6Å; F94-L194 HydrophobicContact CE1-CD1 3.82Å; F94-L194 HydrophobicContact CE1-CD2 3.86Å; F94-L194 HydrophobicContact CE1-CG 4.43Å; F94-L194 HydrophobicContact CE2-CD1 3.63Å; F94-L194 HydrophobicContact CG-CD1 3.69Å; F94-L194 HydrophobicContact CG-CD2 4.41Å; F94-L194 HydrophobicContact CZ-CD1 3.76Å; F94-I228 HydrophobicContact CD1-CG2 4Å; F94-I228 HydrophobicContact CE1-CG2 3.66Å; F94-P231 HydrophobicContact CE1-CG 4.37Å; F94-P231 HydrophobicContact CE2-CG 4.35Å; F94-P231 HydrophobicContact CZ-CG 3.62Å
95	R	97.6	Very high	96.6	Very high	104 Å²	104	39 Å²	39	39%	0.392	19%	0.185	S	C	.	.	H	α-helix	trans	-54.2	-49.9	178.9	-167.6	-169.3	67.3	77.7	-3.2	111.5	F69 A91 E92 S99	F69-R95 HydrophobicContact CE1-CB 4.29Å; F69-R95 HydrophobicContact CE1-CG 4.35Å; F69-R95 HydrophobicContact CZ-CB 3.82Å; F69-R95 HydrophobicContact CZ-CG 4.29Å; A91-R95 PolarHBondContact O-N 2.99Å; E92-R95 VanDerWaalsContact CD-NE 3.26Å; E92-R95 WeakPolarHBondContact O-CB 3.49Å; E92-R95 PolarHBondContact O-N 3.08Å; E92-R95 IonicContact OE1-CZ 3.15Å; E92-R95 IonicContact OE1-NE 3.25Å; E92-R95 PolarHBondContact OE1-NE 3.02Å; E92-R95 IonicContact OE1-NH2 2.63Å; E92-R95 PolarHBondContact OE1-NH2 3.01Å; E92-R95 WeakPolarHBondContact OE2-CD 3.39Å; E92-R95 IonicContact OE2-CZ 3.97Å; E92-R95 IonicContact OE2-NE 2.68Å; E92-R95 PolarHBondContact OE2-NE 3.42Å; R95-S99 WeakPolarHBondContact O-CB 3.34Å; R95-S99 PolarHBondContact O-N 3.34Å; R95-S99 VanDerWaalsContact O-N 3.08Å
96	L	96.8	Very high	96.4	Very high	56 Å²	56	38.7 Å²	38.7	29%	0.293	19%	0.185	S	C	.	.	H	α-helix	trans	-66.7	-48	-178	-69.4	169.8	0	0	0	111.6	E92 F94 L98 S99 L198	E92-L96 HydrophobicContact CG-CD1 4.41Å; E92-L96 WeakPolarHBondContact O-CG 3.41Å; E92-L96 PolarHBondContact O-N 3.12Å; F94-L96 VanDerWaalsContact C-N 3.33Å; F94-L96 PolarHBondContact O-N 3.39Å; L96-L98 PolarHBondContact O-N 3.07Å; L96-S99 WeakPolarHBondContact O-CB 3.44Å; L96-S99 PolarHBondContact O-N 2.95Å; L96-S99 PolarHBondContact O-OG 3.2Å; L96-L198 HydrophobicContact CB-CD1 4.22Å; L96-L198 HydrophobicContact CB-CD2 3.71Å; L96-L198 HydrophobicContact CD1-CD2 4.12Å; L96-L198 HydrophobicContact CG-CD2 4.45Å
97	A	97.5	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.4	-45.5	178.6	0	0	0	0	0	111.7	Y93 F94 S99 K100 L194 L197 I228	Y93-A97 WeakPolarHBondContact O-CB 3.24Å; Y93-A97 PolarHBondContact O-N 2.76Å; F94-A97 PolarHBondContact O-N 3.33Å; A97-S99 VanDerWaalsContact C-N 3.25Å; A97-S99 PolarHBondContact O-N 3.5Å; A97-K100 PolarHBondContact O-N 3.41Å; A97-K100 VanDerWaalsContact O-N 3.13Å; A97-L194 HydrophobicContact CB-CB 4.47Å; A97-L194 HydrophobicContact CB-CD2 4.19Å; A97-L197 HydrophobicContact CB-CD2 4.46Å; A97-I228 HydrophobicContact CB-CD1 3.87Å
98	L	97.2	Very high	95.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-32.2	177.4	-71.3	168.1	0	0	0	112.4	M36 L64 A66 F69 F94 L96 K100 L101 I228	M36-L98 HydrophobicContact CE-CB 4.49Å; M36-L98 HydrophobicContact CE-CD2 4.23Å; M36-L98 VanDerWaalsContact CE-O 3.23Å; M36-L98 WeakPolarHBondContact CE-O 3.25Å; L64-L98 HydrophobicContact CB-CD1 3.95Å; L64-L98 HydrophobicContact CB-CD2 3.96Å; L64-L98 VanDerWaalsContact O-CD2 3.29Å; L64-L98 WeakPolarHBondContact O-CD2 3.48Å; A66-L98 HydrophobicContact CB-CB 4.06Å; F69-L98 HydrophobicContact CB-CD1 4.02Å; F69-L98 HydrophobicContact CD1-CD1 3.81Å; F69-L98 HydrophobicContact CD2-CD1 4.23Å; F69-L98 HydrophobicContact CE1-CD1 4.34Å; F69-L98 HydrophobicContact CG-CD1 3.75Å; F94-L98 HydrophobicContact CB-CD1 4.45Å; F94-L98 VanDerWaalsContact O-CB 3.24Å; F94-L98 WeakPolarHBondContact O-CB 3.35Å; F94-L98 WeakPolarHBondContact O-CD1 3.08Å; F94-L98 WeakPolarHBondContact O-CG 3.39Å; F94-L98 PolarHBondContact O-N 3.49Å; L96-L98 PolarHBondContact O-N 3.07Å; L98-K100 PolarHBondContact O-N 3.06Å; L98-K100 VanDerWaalsContact O-N 3.15Å; L98-L101 HydrophobicContact CD2-CD1 4.46Å; L98-L101 PolarHBondContact O-N 2.92Å; L98-I228 HydrophobicContact CD2-CB 4.32Å; L98-I228 HydrophobicContact CD2-CD1 3.78Å; L98-I228 HydrophobicContact CD2-CG1 4.41Å; L98-I228 HydrophobicContact CG-CD1 3.99Å
99	S	95.7	Very high	94.5	Very high	52 Å²	52	45.4 Å²	45.4	36%	0.364	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.5	177.8	77.3	0	0	0	0	114.5	R95 L96 A97	R95-S99 WeakPolarHBondContact O-CB 3.34Å; R95-S99 PolarHBondContact O-N 3.34Å; R95-S99 VanDerWaalsContact O-N 3.08Å; L96-S99 WeakPolarHBondContact O-CB 3.44Å; L96-S99 PolarHBondContact O-N 2.95Å; L96-S99 PolarHBondContact O-OG 3.2Å; A97-S99 VanDerWaalsContact C-N 3.25Å; A97-S99 PolarHBondContact O-N 3.5Å
100	K	95.4	Very high	93.8	Very high	85 Å²	85	49.3 Å²	49.3	37%	0.37	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-0.1	177.7	-60.1	-58.1	-176.4	174.8	0	113.5	A97 L98 L198 L201 M202	A97-K100 PolarHBondContact O-N 3.41Å; A97-K100 VanDerWaalsContact O-N 3.13Å; L98-K100 PolarHBondContact O-N 3.06Å; L98-K100 VanDerWaalsContact O-N 3.15Å; K100-L198 HydrophobicContact CG-CD1 3.69Å; K100-L201 HydrophobicContact CB-CB 3.98Å; K100-L201 HydrophobicContact CB-CD1 3.68Å; K100-L201 HydrophobicContact CB-CG 4.48Å; K100-L201 HydrophobicContact CG-CB 4.47Å; K100-M202 HydrophobicContact CD-CG 4.45Å
101	L	96.2	Very high	93.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	25%	0.246	C	C	.	.			trans	-100.6	151.2	179.6	-62.3	-174.4	0	0	0	111.2	M36 L98 L201 I226 I228	M36-L101 HydrophobicContact CE-CB 3.54Å; M36-L101 WeakPolarHBondContact CE-O 3.42Å; L98-L101 HydrophobicContact CD2-CD1 4.46Å; L98-L101 PolarHBondContact O-N 2.92Å; L101-L201 HydrophobicContact CD2-CD1 3.64Å; L101-L201 HydrophobicContact CG-CD1 4.49Å; L101-I226 HydrophobicContact CD1-CG2 4.19Å; L101-I226 HydrophobicContact CD2-CB 3.77Å; L101-I226 HydrophobicContact CD2-CD1 4.47Å; L101-I226 HydrophobicContact CD2-CG2 3.81Å; L101-I228 HydrophobicContact CD1-CD1 3.82Å; L101-I228 HydrophobicContact CD1-CG1 3.83Å
102	Q	93.9	Very high	92.4	Very high	68 Å²	68	55.4 Å²	55.4	32%	0.318	27%	0.266	S	S	.	.	S	Bend	trans	-104.3	-14	-171.5	-37.7	-166.7	-17	0	0	114.1	V34 M36 K37 P223	V34-Q102 HydrophobicContact CG1-CB 3.85Å; V34-Q102 HydrophobicContact CG1-CG 3.45Å; V34-Q102 VanDerWaalsContact CG1-CG 3.45Å; M36-Q102 WeakPolarHBondContact CA-O 3.5Å; K37-Q102 PolarHBondContact N-O 2.87Å; Q102-P223 HydrophobicContact CG-CB 3.77Å
103	S	93.5	Very high	92	Very high	10 Å²	10	55.3 Å²	55.3	7%	0.07	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-151.6	150.2	177.1	171.4	0	0	0	0	110.4	D105 R227	S103-D105 WeakPolarHBondContact OG-CB 3.24Å; S103-D105 PolarHBondContact OG-N 3.11Å; S103-D105 PolarHBondContact OG-OD2 2.67Å; S103-R227 VanDerWaalsContact CB-CZ 3.47Å; S103-R227 WeakPolarHBondContact O-CD 3.35Å; S103-R227 PolarHBondContact O-NE 2.93Å; S103-R227 PolarHBondContact O-NH1 2.81Å; S103-R227 PolarHBondContact OG-NH2 3.47Å
104	C	95.1	Very high	91.5	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	27%	0.27	C	S	.	.			trans	-121.8	13.8	167.2	62.3	0	0	0	0	111.4	M36 H61 L64 C65 R227	M36-C104 HydrophobicContact CG-CB 4.48Å; M36-C104 HydrophobicContact SD-CB 3.73Å; H61-C104 PolarHBondContact CE1-O 2.64Å; H61-C104 PolarHBondContact NE2-O 3.08Å; L64-C104 VanDerWaalsContact O-CB 3.27Å; L64-C104 WeakPolarHBondContact O-CB 3.5Å; C65-C104 HydrophobicContact CB-CB 3.85Å; C65-C104 WeakPolarHBondContact CB-SG 3.49Å; C65-C104 WeakPolarHBondContact SG-CB 3.36Å; C65-C104 CovalentContact SG-SG 2.03Å; C65-C104 PolarHBondContact SG-SG 3.21Å; C104-R227 VanDerWaalsContact CA-CD 3.47Å
105	D	93	Very high	91.2	Very high	9 Å²	9	56.5 Å²	56.5	5%	0.048	28%	0.284	C	S	.	.			trans	-66.9	146.7	-176.9	-61.6	-54.2	0	0	0	111.3	R39 N40 S103 R227	R39-D105 VanDerWaalsContact CA-OD1 3.25Å; R39-D105 WeakPolarHBondContact CA-OD1 3.33Å; N40-D105 PolarHBondContact N-OD1 2.68Å; S103-D105 WeakPolarHBondContact OG-CB 3.24Å; S103-D105 PolarHBondContact OG-N 3.11Å; S103-D105 PolarHBondContact OG-OD2 2.67Å; D105-R227 PolarHBondContact O-NE 2.92Å
106	L	92.7	Very high	91	Very high	14 Å²	14	52 Å²	52	7%	0.073	27%	0.268	C	S	.	.	S	Bend	trans	-78.6	-53	175.5	-176.5	57.1	0	0	0	110.6	I42 P62 F63 F163 I270	I42-L106 HydrophobicContact CD1-CB 3.68Å; I42-L106 HydrophobicContact CD1-CD2 3.37Å; I42-L106 HydrophobicContact CD1-CG 4.02Å; P62-L106 HydrophobicContact CG-CD1 3.96Å; F63-L106 HydrophobicContact CD2-CD1 4.23Å; F63-L106 HydrophobicContact CE2-CD1 3.46Å; F63-L106 VanDerWaalsContact CE2-CD1 3.46Å; F63-L106 HydrophobicContact CZ-CD1 3.79Å; L106-F163 HydrophobicContact CD1-CE1 4.49Å; L106-F163 HydrophobicContact CD1-CE2 4.29Å; L106-F163 HydrophobicContact CD1-CZ 3.79Å; L106-F163 VanDerWaalsContact O-CZ 3.24Å; L106-F163 WeakPolarHBondContact O-CZ 3.4Å; L106-I270 HydrophobicContact CD1-CB 4.42Å; L106-I270 HydrophobicContact CD1-CD1 4.24Å; L106-I270 HydrophobicContact CD1-CG2 3.92Å; L106-I270 HydrophobicContact CD2-CB 3.88Å; L106-I270 HydrophobicContact CD2-CG2 3.66Å; L106-I270 HydrophobicContact CG-CG2 4.44Å
107	F	90.9	Very high	91.1	Very high	20 Å²	20	53.8 Å²	53.8	9%	0.088	27%	0.273	C	S	.	.	S	Bend	trans	-128.5	164.2	176.8	-57.7	-64.9	0	0	0	110.4	N40 I42 D111 K116 V141 F163	N40-F107 PolarHBondContact ND2-O 3.23Å; I42-F107 HydrophobicContact CD1-CD2 4.31Å; I42-F107 HydrophobicContact CG2-CD2 4.43Å; F107-D111 HydrophobicContact CB-CB 3.77Å; F107-K116 HydrophobicContact CD2-CD 4.21Å; F107-K116 HydrophobicContact CE1-CD 4.07Å; F107-K116 HydrophobicContact CE2-CD 3.5Å; F107-K116 VanDerWaalsContact CE2-CE 3.49Å; F107-K116 HydrophobicContact CZ-CD 3.43Å; F107-K116 VanDerWaalsContact CZ-CD 3.43Å; F107-V141 HydrophobicContact CE1-CG2 3.71Å; F107-V141 HydrophobicContact CZ-CG2 3.84Å; F107-F163 HydrophobicContact CD1-CE2 4.48Å; F107-F163 HydrophobicContact CD1-CZ 4.11Å; F107-F163 AromaticContact CE1-CE2 3.65Å; F107-F163 HydrophobicContact CE1-CE2 3.65Å; F107-F163 AromaticContact CE1-CZ 3.7Å; F107-F163 HydrophobicContact CE1-CZ 3.7Å; F107-F163 HydrophobicContact CZ-CE2 4.17Å; F107-F163 HydrophobicContact CZ-CZ 4.4Å
108	D	85.7	Confident	91.1	Very high	129 Å²	129	53.8 Å²	53.8	69%	0.69	27%	0.273	S	S	*	.			trans	-61.8	153.1	175	-68.1	-44.2	0	0	0	111.5	F110 D111	D108-F110 PolarHBondContact O-N 2.76Å; D108-F110 VanDerWaalsContact O-N 3.11Å; D108-D111 VanDerWaalsContact O-CB 3.28Å; D108-D111 WeakPolarHBondContact O-CB 3.24Å; D108-D111 PolarHBondContact O-N 2.81Å
109	E	78.1	Confident	91.2	Very high	137 Å²	137	53.8 Å²	53.8	64%	0.64	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-26.1	-176.5	-172.3	177.4	-179.7	0	0	113	N40 D111	N40-E109 PolarHBondContact ND2-N 2.94Å; E109-D111 VanDerWaalsContact C-N 3.35Å
110	F	82.2	Confident	91.4	Very high	177 Å²	177	51.3 Å²	51.3	78%	0.776	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-4.4	177.9	-53.8	-68.5	0	0	0	113.5	D108 N112	D108-F110 PolarHBondContact O-N 2.76Å; D108-F110 VanDerWaalsContact O-N 3.11Å; F110-N112 PolarHBondContact O-N 2.84Å; F110-N112 VanDerWaalsContact O-N 3.15Å; F110-N112 PolarHBondContact O-ND2 2.8Å
111	D	85	Confident	91.5	Very high	42 Å²	42	47.3 Å²	47.3	23%	0.225	24%	0.238	C	C	.	.			trans	-79	98.1	177.5	-168.3	-26.5	0	0	0	110.9	F107 D108 E109 I113 K116	F107-D111 HydrophobicContact CB-CB 3.77Å; D108-D111 VanDerWaalsContact O-CB 3.28Å; D108-D111 WeakPolarHBondContact O-CB 3.24Å; D108-D111 PolarHBondContact O-N 2.81Å; E109-D111 VanDerWaalsContact C-N 3.35Å; D111-I113 PolarHBondContact OD1-N 3.16Å; D111-I113 VanDerWaalsContact OD1-N 3.11Å; D111-K116 WeakPolarHBondContact OD1-CE 3.39Å; D111-K116 IonicContact OD1-NZ 3.58Å; D111-K116 PolarHBondContact OD1-NZ 3.13Å; D111-K116 WeakPolarHBondContact OD2-CE 3.39Å; D111-K116 IonicContact OD2-NZ 3.6Å; D111-K116 PolarHBondContact OD2-NZ 3.21Å
112	N	81.4	Confident	91.6	Very high	102 Å²	102	47.3 Å²	47.3	55%	0.545	24%	0.239	S	C	.	.			trans	-107	21.1	179.3	-64.7	-63.6	0	0	0	112.6	Q43 F110 P114	Q43-N112 PolarHBondContact OE1-O 3.17Å; Q43-N112 VanDerWaalsContact OE1-O 3.07Å; F110-N112 PolarHBondContact O-N 2.84Å; F110-N112 VanDerWaalsContact O-N 3.15Å; F110-N112 PolarHBondContact O-ND2 2.8Å; N112-P114 WeakPolarHBondContact O-CD 3.21Å
113	I	87	Confident	91.8	Very high	83 Å²	83	45 Å²	45	43%	0.426	23%	0.228	S	C	.	.			trans	-80.3	109.8	-178.6	-58.3	171.6	0	0	0	108.7	D111 K116	D111-I113 PolarHBondContact OD1-N 3.16Å; D111-I113 VanDerWaalsContact OD1-N 3.11Å; I113-K116 HydrophobicContact CB-CG 4.44Å; I113-K116 HydrophobicContact CG2-CG 4.14Å; I113-K116 WeakPolarHBondContact O-CE 3.44Å
114	P	88.2	Confident	91.9	Very high	53 Å²	53	44.6 Å²	44.6	34%	0.344	23%	0.226	S	C	.	.			trans	-74.1	162.7	171.2	34.6	-36.3	0	0	0	110.3	Q43 N112 K116	Q43-P114 HydrophobicContact CG-CB 4.14Å; N112-P114 WeakPolarHBondContact O-CD 3.21Å; P114-K116 VanDerWaalsContact C-N 3.32Å; P114-K116 PolarHBondContact O-N 2.82Å
115	C	91.7	Very high	91.9	Very high	43 Å²	43	45.1 Å²	45.1	29%	0.291	23%	0.232	S	C	.	.	S	Bend	trans	55.2	41.2	168.3	-53.1	0	0	0	0	115.1	C45 H272	C45-C115 VanDerWaalsContact CA-SG 3.51Å; C45-C115 HydrophobicContact CB-CB 3.94Å; C45-C115 WeakPolarHBondContact CB-SG 3.35Å; C45-C115 VanDerWaalsContact SG-CA 3.51Å; C45-C115 WeakPolarHBondContact SG-CB 3.5Å; C45-C115 CovalentContact SG-SG 2.04Å; C45-C115 PolarHBondContact SG-SG 3.49Å; C115-H272 HydrophobicContact CB-CB 3.9Å
116	K	94.8	Very high	92	Very high	10 Å²	10	46.5 Å²	46.5	4%	0.043	24%	0.24	C	C	.	.			trans	-52.5	138.2	-176.3	-68.4	177.6	179.4	-74.1	0	113.2	F107 D111 I113 P114 D140 V141 H272 E273	F107-K116 HydrophobicContact CD2-CD 4.21Å; F107-K116 HydrophobicContact CE1-CD 4.07Å; F107-K116 HydrophobicContact CE2-CD 3.5Å; F107-K116 VanDerWaalsContact CE2-CE 3.49Å; F107-K116 HydrophobicContact CZ-CD 3.43Å; F107-K116 VanDerWaalsContact CZ-CD 3.43Å; D111-K116 WeakPolarHBondContact OD1-CE 3.39Å; D111-K116 IonicContact OD1-NZ 3.58Å; D111-K116 PolarHBondContact OD1-NZ 3.13Å; D111-K116 WeakPolarHBondContact OD2-CE 3.39Å; D111-K116 IonicContact OD2-NZ 3.6Å; D111-K116 PolarHBondContact OD2-NZ 3.21Å; I113-K116 HydrophobicContact CB-CG 4.44Å; I113-K116 HydrophobicContact CG2-CG 4.14Å; I113-K116 WeakPolarHBondContact O-CE 3.44Å; P114-K116 VanDerWaalsContact C-N 3.32Å; P114-K116 PolarHBondContact O-N 2.82Å; K116-D140 HydrophobicContact CB-CB 4.25Å; K116-D140 HydrophobicContact CG-CB 4.33Å; K116-V141 HydrophobicContact CB-CG2 4.37Å; K116-V141 HydrophobicContact CD-CG2 3.86Å; K116-H272 PolarHBondContact O-N 3.29Å; K116-E273 PolarHBondContact O-N 3.15Å
117	K	97.4	Very high	92.2	Very high	93 Å²	93	45.8 Å²	45.8	40%	0.404	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	125	170	-55.9	-166.2	178	-150.7	0	109.4	Y139 D140 V141 E273	K117-Y139 HydrophobicContact CB-CD1 4.03Å; K117-D140 PolarHBondContact N-OD2 2.99Å; K117-D140 PolarHBondContact O-N 2.95Å; K117-D140 VanDerWaalsContact O-N 3.13Å; K117-V141 PolarHBondContact O-N 3.23Å; K117-E273 HydrophobicContact CB-CB 4.45Å; K117-E273 WeakPolarHBondContact CE-OE2 3.39Å; K117-E273 HydrophobicContact CG-CB 4.08Å; K117-E273 IonicContact NZ-OE1 2.8Å; K117-E273 IonicContact NZ-OE2 3.99Å; K117-E273 PolarHBondContact NZ-OE2 3.33Å
118	C	98.5	Very high	92.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.5	-178.1	-61.2	0	0	0	0	111.1	V141 C271 E273 V274 H275	C118-V141 VanDerWaalsContact CA-O 3.28Å; C118-V141 WeakPolarHBondContact CA-O 3.49Å; C118-V141 HydrophobicContact CB-CB 4.3Å; C118-V141 VanDerWaalsContact SG-CB 3.51Å; C118-C271 HydrophobicContact CB-CB 3.69Å; C118-C271 WeakPolarHBondContact CB-SG 3.46Å; C118-C271 WeakPolarHBondContact SG-CB 3.28Å; C118-C271 CovalentContact SG-SG 1.97Å; C118-C271 PolarHBondContact SG-SG 3.46Å; C118-E273 PolarHBondContact N-O 3.49Å; C118-V274 HydrophobicContact CB-CG2 4.5Å; C118-V274 WeakPolarHBondContact O-CA 3.27Å; C118-H275 PolarHBondContact O-N 3.12Å
119	V	98.9	Very high	92.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.2	164.3	63.3	0	0	0	0	109.4	V121 I136 Y139 V141 I142 I143 H275 A277 L328	V119-V121 HydrophobicContact CG1-CG2 4.34Å; V119-V121 HydrophobicContact CG2-CG2 4.13Å; V119-I136 HydrophobicContact CG1-CG2 3.97Å; V119-I136 HydrophobicContact CG2-CG1 4.4Å; V119-Y139 HydrophobicContact CB-CD1 3.91Å; V119-Y139 HydrophobicContact CB-CD2 3.77Å; V119-Y139 HydrophobicContact CB-CE1 4.2Å; V119-Y139 HydrophobicContact CB-CE2 4.08Å; V119-Y139 HydrophobicContact CB-CG 3.7Å; V119-Y139 HydrophobicContact CG1-CD1 4.34Å; V119-Y139 HydrophobicContact CG1-CD2 3.67Å; V119-Y139 HydrophobicContact CG1-CE2 4.38Å; V119-Y139 HydrophobicContact CG1-CG 3.65Å; V119-Y139 HydrophobicContact CG2-CE2 4.5Å; V119-V141 PolarHBondContact N-O 2.93Å; V119-I142 HydrophobicContact CG1-CB 4.22Å; V119-I142 HydrophobicContact CG1-CG1 3.73Å; V119-I142 HydrophobicContact CG1-CG2 4.16Å; V119-I143 PolarHBondContact O-N 3.12Å; V119-H275 CarbonylContact C-O 3.57Å; V119-H275 WeakPolarHBondContact CA-O 3.42Å; V119-H275 HydrophobicContact CB-CB 4.35Å; V119-H275 HydrophobicContact CG2-CB 4.24Å; V119-A277 HydrophobicContact CG2-CB 4.41Å; V119-L328 HydrophobicContact CG2-CD1 3.88Å
120	V	98.9	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.9	170.3	-168.2	0	0	0	0	107.3	I143 M145 A263 I264 A267 V274 H275 L276 A277 F279	V120-I143 HydrophobicContact CG1-CB 4.45Å; V120-I143 HydrophobicContact CG2-CB 4.42Å; V120-I143 HydrophobicContact CG2-CD1 4.43Å; V120-M145 HydrophobicContact CG1-CE 4Å; V120-A263 HydrophobicContact CG1-CB 3.79Å; V120-I264 HydrophobicContact CB-CG1 4.35Å; V120-I264 HydrophobicContact CG1-CG1 4.17Å; V120-I264 HydrophobicContact CG2-CG1 4.32Å; V120-A267 HydrophobicContact CG2-CB 3.69Å; V120-V274 HydrophobicContact CG2-CG1 4.18Å; V120-H275 PolarHBondContact N-O 3.39Å; V120-L276 HydrophobicContact CB-CD2 3.99Å; V120-L276 HydrophobicContact CG2-CD2 4.22Å; V120-A277 PolarHBondContact O-N 3.01Å; V120-F279 HydrophobicContact CB-CE2 4.08Å; V120-F279 HydrophobicContact CB-CZ 4.28Å; V120-F279 HydrophobicContact CG1-CE2 3.82Å; V120-F279 HydrophobicContact CG1-CZ 3.59Å; V120-F279 WeakPolarHBondContact O-CE2 3.45Å
121	V	98.9	Very high	94.2	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	96.5	-177.5	-171.7	0	0	0	0	108.9	V119 L127 I136 I142 I143 R144 M145 V157 A277	V119-V121 HydrophobicContact CG1-CG2 4.34Å; V119-V121 HydrophobicContact CG2-CG2 4.13Å; V121-L127 HydrophobicContact CG1-CD1 4.03Å; V121-I136 HydrophobicContact CG1-CD1 4.38Å; V121-I136 HydrophobicContact CG2-CD1 4.13Å; V121-I136 HydrophobicContact CG2-CG1 4.33Å; V121-I136 HydrophobicContact CG2-CG2 3.84Å; V121-I142 HydrophobicContact CG2-CG2 4.15Å; V121-I143 PolarHBondContact N-O 3.15Å; V121-R144 HydrophobicContact CB-CG 4.36Å; V121-M145 WeakPolarHBondContact O-CE 3.47Å; V121-V157 HydrophobicContact CG1-CB 4.33Å; V121-V157 HydrophobicContact CG1-CG1 4.43Å; V121-A277 CarbonylContact C-O 3.46Å
122	G	98.3	Very high	94.8	Very high	2 Å²	2	41.4 Å²	41.4	2%	0.021	22%	0.224	C	C	.	.			trans	-66.5	169.9	173.4	0	0	0	0	0	112.4	L127 A277 F279	G122-L127 VanDerWaalsContact O-CD1 3.23Å; G122-L127 WeakPolarHBondContact O-CD1 3.48Å; G122-A277 PolarHBondContact N-O 2.8Å; G122-F279 VanDerWaalsContact N-CE2 3.33Å
123	N	97.2	Very high	95.6	Very high	18 Å²	18	36.6 Å²	36.6	10%	0.096	20%	0.199	C	C	.	.			trans	-93.2	3.5	-176.2	-72.1	-8.1	0	0	0	114.1	M145 H291 Y292 Y293	N123-M145 PolarHBondContact ND2-O 3.24Å; N123-H291 CarbonylContact O-C 3.59Å; N123-H291 WeakPolarHBondContact O-CA 3.45Å; N123-H291 VanDerWaalsContact O-CB 3.27Å; N123-H291 WeakPolarHBondContact O-CB 3.26Å; N123-H291 PolarHBondContact O-CD2 2.86Å; N123-Y292 HydrophobicContact CB-CE1 4.42Å; N123-Y292 WeakPolarHBondContact O-CD1 3.43Å; N123-Y292 PolarHBondContact O-N 2.79Å; N123-Y293 HydrophobicContact CB-CE1 4Å; N123-Y293 PolarHBondContact ND2-OH 3.47Å
124	G	95.7	Very high	96.1	Very high	2 Å²	2	41.2 Å²	41.2	2%	0.021	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-62	145.5	-168.5	0	0	0	0	0	114.7	V126 L127 G278	G124-V126 PolarHBondContact O-N 2.96Å; G124-L127 PolarHBondContact O-N 3.2Å; G124-G278 VanDerWaalsContact CA-O 3.28Å; G124-G278 WeakPolarHBondContact CA-O 3.31Å; G124-G278 PolarHBondContact N-O 3Å
125	G	95.1	Very high	96.6	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.9	-16.2	178	0	0	0	0	0	115.1	L127 K128 L290 H291	G125-L127 PolarHBondContact O-N 3.31Å; G125-L127 VanDerWaalsContact O-N 3.17Å; G125-K128 WeakPolarHBondContact O-CB 3.41Å; G125-K128 WeakPolarHBondContact O-CG 3.26Å; G125-K128 PolarHBondContact O-N 3.12Å; G125-L290 PolarHBondContact N-O 2.9Å; G125-H291 VanDerWaalsContact CA-C 3.41Å
126	V	94.9	Very high	97	Very high	37 Å²	37	41.4 Å²	41.4	22%	0.224	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.6	-18.5	174.5	69.1	0	0	0	0	113.3	G124 K128 K130 K280 T329	G124-V126 PolarHBondContact O-N 2.96Å; V126-K128 VanDerWaalsContact C-N 3.31Å; V126-K130 WeakPolarHBondContact O-CG 3.47Å; V126-K280 HydrophobicContact CB-CB 4.23Å; V126-K280 HydrophobicContact CG1-CB 3.99Å; V126-K280 HydrophobicContact CG2-CB 4.23Å; V126-K280 HydrophobicContact CG2-CD 4.2Å; V126-T329 HydrophobicContact CB-CG2 4.19Å; V126-T329 HydrophobicContact CG1-CG2 3.82Å; V126-T329 HydrophobicContact CG2-CG2 3.55Å
127	L	97	Very high	97.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-76.6	-15.3	174.8	-70.2	168.4	0	0	0	113.2	V121 G122 G124 G125 N129 K130 L132 E156 V157 A277 Y292	V121-L127 HydrophobicContact CG1-CD1 4.03Å; G122-L127 VanDerWaalsContact O-CD1 3.23Å; G122-L127 WeakPolarHBondContact O-CD1 3.48Å; G124-L127 PolarHBondContact O-N 3.2Å; G125-L127 PolarHBondContact O-N 3.31Å; G125-L127 VanDerWaalsContact O-N 3.17Å; L127-N129 PolarHBondContact O-N 2.68Å; L127-K130 WeakPolarHBondContact O-CB 3.12Å; L127-K130 PolarHBondContact O-N 2.96Å; L127-L132 HydrophobicContact CD2-CD1 3.89Å; L127-E156 WeakPolarHBondContact O-CB 3.2Å; L127-E156 VanDerWaalsContact O-CG 3.27Å; L127-E156 WeakPolarHBondContact O-CG 3.3Å; L127-V157 HydrophobicContact CB-CG1 4.49Å; L127-V157 HydrophobicContact CD1-CG1 4.02Å; L127-A277 HydrophobicContact CD2-CB 4.09Å; L127-Y292 HydrophobicContact CB-CD1 4.09Å; L127-Y292 HydrophobicContact CB-CG 4.23Å; L127-Y292 HydrophobicContact CD1-CD1 3.67Å; L127-Y292 HydrophobicContact CD1-CE1 3.99Å; L127-Y292 HydrophobicContact CG-CD1 4.48Å
128	K	94.2	Very high	97.2	Very high	72 Å²	72	41.4 Å²	41.4	31%	0.313	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	135.9	178.4	-70.7	-167	168.4	-177.3	0	110.7	G125 V126 K130 P289 H291 Y292	G125-K128 WeakPolarHBondContact O-CB 3.41Å; G125-K128 WeakPolarHBondContact O-CG 3.26Å; G125-K128 PolarHBondContact O-N 3.12Å; V126-K128 VanDerWaalsContact C-N 3.31Å; K128-K130 PolarHBondContact O-N 2.63Å; K128-K130 VanDerWaalsContact O-N 3.14Å; K128-P289 HydrophobicContact CD-CB 4.06Å; K128-P289 HydrophobicContact CD-CG 4Å; K128-H291 VanDerWaalsContact CE-O 3.31Å; K128-H291 WeakPolarHBondContact CE-O 3.49Å; K128-Y292 VanDerWaalsContact CE-C 3.46Å; K128-Y292 WeakPolarHBondContact CE-O 3.08Å
129	N	92.9	Very high	97.2	Very high	150 Å²	150	41.9 Å²	41.9	80%	0.802	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	19.3	178.3	-49.1	-25.5	0	0	0	113.9	L127	L127-N129 PolarHBondContact O-N 2.68Å
130	K	95	Very high	97.1	Very high	57 Å²	57	44.8 Å²	44.8	25%	0.248	24%	0.237	C	C	.	.			trans	-89.9	154.7	168.6	-63.8	-67.7	-173.4	173.5	0	108.6	V126 L127 K128 L132 E156 T329 D331	V126-K130 WeakPolarHBondContact O-CG 3.47Å; L127-K130 WeakPolarHBondContact O-CB 3.12Å; L127-K130 PolarHBondContact O-N 2.96Å; K128-K130 PolarHBondContact O-N 2.63Å; K128-K130 VanDerWaalsContact O-N 3.14Å; K130-L132 HydrophobicContact CB-CD1 4.23Å; K130-L132 HydrophobicContact CB-CG 4.12Å; K130-E156 WeakPolarHBondContact O-CA 3.32Å; K130-E156 WeakPolarHBondContact O-CG 3.28Å; K130-T329 HydrophobicContact CG-CG2 4.45Å; K130-D331 IonicContact NZ-OD1 2.84Å; K130-D331 PolarHBondContact NZ-OD1 3.24Å
131	T	96.6	Very high	97.1	Very high	105 Å²	105	44.8 Å²	44.8	64%	0.644	24%	0.238	S	C	*	.			trans	-112.3	47.8	179.5	52.3	0	0	0	0	110.8	G133 E155	T131-G133 VanDerWaalsContact C-N 3.35Å; T131-E155 CarbonylContact C-O 3.18Å; T131-E155 WeakPolarHBondContact CA-O 3.25Å; T131-E155 HydrophobicContact CG2-CG 4.05Å; T131-E155 WeakPolarHBondContact CG2-OE1 3.37Å
132	L	97.9	Very high	97.1	Very high	28 Å²	28	44.8 Å²	44.8	15%	0.147	24%	0.237	C	C	.	.			trans	-87.2	-3.6	-173.6	-65.6	173.6	0	0	0	113.2	L127 K130 E134 K135 I136 E155 E156 L328	L127-L132 HydrophobicContact CD2-CD1 3.89Å; K130-L132 HydrophobicContact CB-CD1 4.23Å; K130-L132 HydrophobicContact CB-CG 4.12Å; L132-E134 PolarHBondContact O-N 3.17Å; L132-K135 CarbonylContact O-C 3.39Å; L132-K135 WeakPolarHBondContact O-CB 3.28Å; L132-K135 PolarHBondContact O-N 2.85Å; L132-K135 VanDerWaalsContact O-N 3.12Å; L132-I136 HydrophobicContact CB-CD1 3.92Å; L132-I136 HydrophobicContact CB-CG1 4.35Å; L132-I136 WeakPolarHBondContact O-CG1 3.14Å; L132-I136 PolarHBondContact O-N 3.37Å; L132-E155 PolarHBondContact N-O 3.41Å; L132-E156 WeakPolarHBondContact CB-O 3.46Å; L132-L328 HydrophobicContact CD1-CB 4.35Å; L132-L328 HydrophobicContact CD2-CB 4.44Å
133	G	98.5	Very high	97.1	Very high	2 Å²	2	44.7 Å²	44.7	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-49.7	-168.9	0	0	0	0	0	114.5	T131 K135 I136 D137 E154 E155 G158	T131-G133 VanDerWaalsContact C-N 3.35Å; G133-K135 VanDerWaalsContact C-N 3.29Å; G133-K135 PolarHBondContact O-N 3.15Å; G133-I136 PolarHBondContact O-N 3.21Å; G133-D137 PolarHBondContact O-N 3.47Å; G133-E154 WeakPolarHBondContact CA-O 3.23Å; G133-E155 WeakPolarHBondContact CA-O 3.46Å; G133-E155 PolarHBondContact N-O 3.22Å; G133-G158 VanDerWaalsContact CA-CA 3.43Å; G133-G158 WeakPolarHBondContact O-CA 3.27Å
134	E	98.5	Very high	97.2	Very high	179 Å²	179	44 Å²	44	84%	0.836	23%	0.232	S	C	*	.	H	α-helix	trans	-62	-39.3	176	-65	-173.1	164.7	0	0	111.7	L132 D137 S138	L132-E134 PolarHBondContact O-N 3.17Å; E134-D137 PolarHBondContact O-N 3.13Å; E134-S138 PolarHBondContact O-N 3.09Å
135	K	98.5	Very high	97.3	Very high	101 Å²	101	44 Å²	44	44%	0.439	23%	0.232	S	C	.	.	H	α-helix	trans	-64.2	-45.1	177.3	-178.3	58.2	179.9	173.6	0	110.9	L132 G133 D137 S138 Y139 L328	L132-K135 CarbonylContact O-C 3.39Å; L132-K135 WeakPolarHBondContact O-CB 3.28Å; L132-K135 PolarHBondContact O-N 2.85Å; L132-K135 VanDerWaalsContact O-N 3.12Å; G133-K135 VanDerWaalsContact C-N 3.29Å; G133-K135 PolarHBondContact O-N 3.15Å; K135-D137 VanDerWaalsContact C-N 3.34Å; K135-S138 WeakPolarHBondContact O-CB 3.23Å; K135-S138 PolarHBondContact O-N 2.98Å; K135-S138 PolarHBondContact O-OG 3.49Å; K135-Y139 HydrophobicContact CD-CE2 4.4Å; K135-Y139 WeakPolarHBondContact CE-OH 3.39Å; K135-Y139 HydrophobicContact CG-CE2 4.34Å; K135-Y139 WeakPolarHBondContact O-CD2 3.44Å; K135-Y139 WeakPolarHBondContact O-CE2 3.07Å; K135-L328 HydrophobicContact CG-CD1 4.44Å
136	I	98.8	Very high	97.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.6	-42.9	176.8	-72.4	164.1	0	0	0	110.8	V119 V121 L132 G133 S138 Y139 I142 V157 A277	V119-I136 HydrophobicContact CG1-CG2 3.97Å; V119-I136 HydrophobicContact CG2-CG1 4.4Å; V121-I136 HydrophobicContact CG1-CD1 4.38Å; V121-I136 HydrophobicContact CG2-CD1 4.13Å; V121-I136 HydrophobicContact CG2-CG1 4.33Å; V121-I136 HydrophobicContact CG2-CG2 3.84Å; L132-I136 HydrophobicContact CB-CD1 3.92Å; L132-I136 HydrophobicContact CB-CG1 4.35Å; L132-I136 WeakPolarHBondContact O-CG1 3.14Å; L132-I136 PolarHBondContact O-N 3.37Å; G133-I136 PolarHBondContact O-N 3.21Å; I136-S138 PolarHBondContact O-N 3.41Å; I136-Y139 WeakPolarHBondContact O-CD2 3.04Å; I136-Y139 PolarHBondContact O-N 3.47Å; I136-I142 HydrophobicContact CG2-CD1 4.36Å; I136-I142 HydrophobicContact CG2-CG1 4.33Å; I136-I142 HydrophobicContact CG2-CG2 3.95Å; I136-I142 WeakPolarHBondContact O-CD1 3.4Å; I136-I142 WeakPolarHBondContact O-CG1 3.29Å; I136-V157 WeakPolarHBondContact CG2-O 3.39Å; I136-A277 HydrophobicContact CD1-CB 4.34Å
137	D	98.8	Very high	97.4	Very high	29 Å²	29	45.9 Å²	45.9	16%	0.155	24%	0.238	C	C	.	.	H	α-helix	trans	-69.8	-10.6	179.9	-76.4	-15.2	0	0	0	113.6	G133 E134 K135 R159 R160	G133-D137 PolarHBondContact O-N 3.47Å; E134-D137 PolarHBondContact O-N 3.13Å; K135-D137 VanDerWaalsContact C-N 3.34Å; D137-R159 VanDerWaalsContact CG-N 3.26Å; D137-R159 PolarHBondContact OD1-N 3.25Å; D137-R159 WeakPolarHBondContact OD2-CB 3.24Å; D137-R159 PolarHBondContact OD2-N 2.89Å; D137-R160 PolarHBondContact O-NH1 2.94Å; D137-R160 WeakPolarHBondContact OD1-CB 3.47Å; D137-R160 PolarHBondContact OD1-N 2.94Å
138	S	98.2	Very high	97.4	Very high	74 Å²	74	45.9 Å²	45.9	52%	0.517	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.4	175.6	77.9	0	0	0	0	114.7	E134 K135 I136	E134-S138 PolarHBondContact O-N 3.09Å; K135-S138 WeakPolarHBondContact O-CB 3.23Å; K135-S138 PolarHBondContact O-N 2.98Å; K135-S138 PolarHBondContact O-OG 3.49Å; I136-S138 PolarHBondContact O-N 3.41Å
139	Y	98.5	Very high	97.6	Very high	10 Å²	10	43.1 Å²	43.1	4%	0.039	23%	0.227	C	C	.	.	S	Bend	trans	-81.4	153.4	-179	-71.2	-99.5	0	0	0	112.4	K117 V119 K135 I136 V141 H275 L328	K117-Y139 HydrophobicContact CB-CD1 4.03Å; V119-Y139 HydrophobicContact CB-CD1 3.91Å; V119-Y139 HydrophobicContact CB-CD2 3.77Å; V119-Y139 HydrophobicContact CB-CE1 4.2Å; V119-Y139 HydrophobicContact CB-CE2 4.08Å; V119-Y139 HydrophobicContact CB-CG 3.7Å; V119-Y139 HydrophobicContact CG1-CD1 4.34Å; V119-Y139 HydrophobicContact CG1-CD2 3.67Å; V119-Y139 HydrophobicContact CG1-CE2 4.38Å; V119-Y139 HydrophobicContact CG1-CG 3.65Å; V119-Y139 HydrophobicContact CG2-CE2 4.5Å; K135-Y139 HydrophobicContact CD-CE2 4.4Å; K135-Y139 WeakPolarHBondContact CE-OH 3.39Å; K135-Y139 HydrophobicContact CG-CE2 4.34Å; K135-Y139 WeakPolarHBondContact O-CD2 3.44Å; K135-Y139 WeakPolarHBondContact O-CE2 3.07Å; I136-Y139 WeakPolarHBondContact O-CD2 3.04Å; I136-Y139 PolarHBondContact O-N 3.47Å; Y139-V141 VanDerWaalsContact C-N 3.33Å; Y139-H275 HydrophobicContact CE1-CB 3.7Å; Y139-H275 AromaticContact CE1-CD2 3.56Å; Y139-H275 AromaticContact CE1-CG 3.44Å; Y139-H275 VanDerWaalsContact CE1-CG 3.44Å; Y139-H275 AromaticContact CE1-ND1 3.81Å; Y139-H275 AromaticContact CE1-NE2 3.96Å; Y139-H275 AromaticContact CZ-CG 3.62Å; Y139-H275 AromaticContact CZ-ND1 3.58Å; Y139-H275 PolarHBondContact OH-CE1 2.82Å; Y139-H275 PolarHBondContact OH-ND1 2.98Å; Y139-L328 HydrophobicContact CE2-CD1 4.08Å
140	D	97.3	Very high	97.9	Very high	60 Å²	60	37 Å²	37	32%	0.321	20%	0.195	S	C	.	.	S	Bend	trans	-66.1	-39.6	176.8	-56	-56.7	0	0	0	111.2	K116 K117	K116-D140 HydrophobicContact CB-CB 4.25Å; K116-D140 HydrophobicContact CG-CB 4.33Å; K117-D140 PolarHBondContact N-OD2 2.99Å; K117-D140 PolarHBondContact O-N 2.95Å; K117-D140 VanDerWaalsContact O-N 3.13Å
141	V	98.3	Very high	98	Very high	1 Å²	1	38 Å²	38	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	125.1	-177	-179.2	0	0	0	0	110.2	F107 K116 K117 C118 V119 Y139 I143 T162 F163	F107-V141 HydrophobicContact CE1-CG2 3.71Å; F107-V141 HydrophobicContact CZ-CG2 3.84Å; K116-V141 HydrophobicContact CB-CG2 4.37Å; K116-V141 HydrophobicContact CD-CG2 3.86Å; K117-V141 PolarHBondContact O-N 3.23Å; C118-V141 VanDerWaalsContact CA-O 3.28Å; C118-V141 WeakPolarHBondContact CA-O 3.49Å; C118-V141 HydrophobicContact CB-CB 4.3Å; C118-V141 VanDerWaalsContact SG-CB 3.51Å; V119-V141 PolarHBondContact N-O 2.93Å; Y139-V141 VanDerWaalsContact C-N 3.33Å; V141-I143 HydrophobicContact CG1-CD1 4.37Å; V141-I143 HydrophobicContact CG1-CG1 3.9Å; V141-T162 WeakPolarHBondContact CA-OG1 3.27Å; V141-T162 HydrophobicContact CG1-CG2 4.08Å; V141-F163 HydrophobicContact CG1-CD2 3.57Å; V141-F163 HydrophobicContact CG1-CE2 3.69Å
142	I	98.9	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	115.2	178.5	-60	157	0	0	0	108.5	V119 V121 I136 R144 R160 T162 F163	V119-I142 HydrophobicContact CG1-CB 4.22Å; V119-I142 HydrophobicContact CG1-CG1 3.73Å; V119-I142 HydrophobicContact CG1-CG2 4.16Å; V121-I142 HydrophobicContact CG2-CG2 4.15Å; I136-I142 HydrophobicContact CG2-CD1 4.36Å; I136-I142 HydrophobicContact CG2-CG1 4.33Å; I136-I142 HydrophobicContact CG2-CG2 3.95Å; I136-I142 WeakPolarHBondContact O-CD1 3.4Å; I136-I142 WeakPolarHBondContact O-CG1 3.29Å; I142-R144 HydrophobicContact CG2-CG 4.28Å; I142-R160 HydrophobicContact CD1-CB 3.49Å; I142-R160 VanDerWaalsContact CD1-CB 3.49Å; I142-R160 WeakPolarHBondContact CG2-O 3.09Å; I142-T162 PolarHBondContact N-OG1 3.33Å; I142-T162 PolarHBondContact O-N 3.46Å; I142-F163 PolarHBondContact O-N 2.97Å
143	I	98.9	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	117.7	-177.2	-50.7	-177.9	0	0	0	109.3	V119 V120 V121 V141 F163 L165 A263 A267 I270	V119-I143 PolarHBondContact O-N 3.12Å; V120-I143 HydrophobicContact CG1-CB 4.45Å; V120-I143 HydrophobicContact CG2-CB 4.42Å; V120-I143 HydrophobicContact CG2-CD1 4.43Å; V121-I143 PolarHBondContact N-O 3.15Å; V141-I143 HydrophobicContact CG1-CD1 4.37Å; V141-I143 HydrophobicContact CG1-CG1 3.9Å; I143-F163 CarbonylContact C-O 3.56Å; I143-F163 WeakPolarHBondContact CA-O 3.5Å; I143-F163 HydrophobicContact CG1-CB 4.36Å; I143-F163 HydrophobicContact CG1-CD2 4.25Å; I143-F163 HydrophobicContact CG2-CB 4.35Å; I143-L165 HydrophobicContact CG2-CD1 3.59Å; I143-A263 HydrophobicContact CG2-CB 3.96Å; I143-A267 HydrophobicContact CD1-CB 3.82Å; I143-I270 HydrophobicContact CD1-CD1 4.12Å
144	R	98.8	Very high	98	Very high	3 Å²	3	38.4 Å²	38.4	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	174.2	176	-58.6	-172.1	-168.3	-91.8	-1.9	110.7	V121 I142 V157 G158 R160 T161 F163 R164 L165	V121-R144 HydrophobicContact CB-CG 4.36Å; I142-R144 HydrophobicContact CG2-CG 4.28Å; R144-V157 PolarHBondContact NH1-O 2.69Å; R144-V157 PolarHBondContact NH2-O 3.04Å; R144-G158 PolarHBondContact NH2-O 2.92Å; R144-R160 PolarHBondContact NE-O 3.05Å; R144-R160 PolarHBondContact NH2-O 3.19Å; R144-T161 HydrophobicContact CB-CG2 4.2Å; R144-T161 WeakPolarHBondContact CD-OG1 3.2Å; R144-T161 HydrophobicContact CG-CG2 4.08Å; R144-T161 PolarHBondContact NE-OG1 3.45Å; R144-F163 PolarHBondContact N-O 2.83Å; R144-R164 VanDerWaalsContact CD-NH2 3.34Å; R144-R164 VanDerWaalsContact O-CA 3.32Å; R144-R164 WeakPolarHBondContact O-CA 2.97Å; R144-L165 PolarHBondContact O-N 3.19Å
145	M	98.5	Very high	98	Very high	4 Å²	4	36.1 Å²	36.1	2%	0.02	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	152.8	-179.1	59.9	-124	62.2	0	0	113.2	V120 V121 N123 G148 L165 T259 A263	V120-M145 HydrophobicContact CG1-CE 4Å; V121-M145 WeakPolarHBondContact O-CE 3.47Å; N123-M145 PolarHBondContact ND2-O 3.24Å; M145-G148 PolarHBondContact O-N 3.5Å; M145-L165 CarbonylContact C-O 3.46Å; M145-L165 VanDerWaalsContact CA-O 3.29Å; M145-L165 WeakPolarHBondContact CA-O 3.44Å; M145-L165 HydrophobicContact CB-CB 4.4Å; M145-T259 HydrophobicContact CB-CG2 3.73Å; M145-A263 HydrophobicContact CE-CB 4.2Å
146	N	97.4	Very high	98	Very high	26 Å²	26	32.7 Å²	32.7	14%	0.139	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-144.9	171.9	-53.7	-22.1	0	0	0	110.9	G148 R164 L165 Y167 S170 T259	N146-G148 VanDerWaalsContact C-N 3.31Å; N146-G148 PolarHBondContact O-N 2.04Å; N146-R164 PolarHBondContact O-NH1 2.72Å; N146-L165 PolarHBondContact N-O 2.95Å; N146-Y167 WeakPolarHBondContact OD1-CE1 3.47Å; N146-S170 CarbonylContact C-O 3.58Å; N146-T259 PolarHBondContact OD1-OG1 3.37Å
147	N	94.3	Very high	97.9	Very high	62 Å²	62	32.7 Å²	32.7	33%	0.332	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	29.5	179.4	68.9	-25.8	0	0	0	113.4	P149 S170 F172 Y293	N147-P149 WeakPolarHBondContact O-CD 3.44Å; N147-S170 PolarHBondContact N-O 3.5Å; N147-S170 VanDerWaalsContact N-O 3.08Å; N147-F172 HydrophobicContact CB-CD1 4.27Å; N147-F172 HydrophobicContact CB-CE1 3.86Å; N147-F172 HydrophobicContact CB-CZ 4.3Å; N147-F172 WeakPolarHBondContact O-CZ 3.5Å; N147-Y293 WeakPolarHBondContact O-CE2 3.29Å; N147-Y293 PolarHBondContact OD1-OH 3.24Å
148	G	97.3	Very high	97.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.			trans	-69.7	106.4	173.4	0	0	0	0	0	110.7	M145 N146 R164 Y292	M145-G148 PolarHBondContact O-N 3.5Å; N146-G148 VanDerWaalsContact C-N 3.31Å; N146-G148 PolarHBondContact O-N 2.04Å; G148-R164 VanDerWaalsContact O-CZ 3.31Å; G148-R164 PolarHBondContact O-NH1 3.25Å; G148-R164 PolarHBondContact O-NH2 3.2Å; G148-Y292 VanDerWaalsContact C-OH 3.22Å; G148-Y292 VanDerWaalsContact CA-OH 3.32Å; G148-Y292 WeakPolarHBondContact CA-OH 3.33Å
149	P	97.8	Very high	97.9	Very high	15 Å²	15	35.8 Å²	35.8	10%	0.097	19%	0.186	C	C	.	.			trans	-75.7	148.9	-173.1	32.6	-32.3	0	0	0	111.2	N147 F172 Y292 Y293	N147-P149 WeakPolarHBondContact O-CD 3.44Å; P149-F172 HydrophobicContact CB-CZ 4.31Å; P149-Y292 HydrophobicContact CG-CE2 4.43Å; P149-Y292 WeakPolarHBondContact O-CE2 3.38Å; P149-Y292 PolarHBondContact O-OH 3.04Å; P149-Y293 VanDerWaalsContact CD-CD1 3.43Å; P149-Y293 HydrophobicContact CG-CD1 4.31Å; P149-Y293 HydrophobicContact CG-CD2 4.06Å; P149-Y293 HydrophobicContact CG-CG 3.78Å
150	V	98.3	Very high	97.9	Very high	20 Å²	20	41.3 Å²	41.3	12%	0.121	21%	0.207	C	C	.	.			trans	-95.6	-43.6	169.3	161.4	0	0	0	0	110.2	G152 H153 E154 V157 G158	V150-G152 PolarHBondContact O-N 2.98Å; V150-H153 CarbonylContact O-C 3.6Å; V150-H153 WeakPolarHBondContact O-CA 3.33Å; V150-H153 PolarHBondContact O-N 2.65Å; V150-E154 HydrophobicContact CG1-CG 4.02Å; V150-E154 WeakPolarHBondContact O-CG 3.47Å; V150-E154 PolarHBondContact O-N 3.33Å; V150-V157 HydrophobicContact CG2-CG2 4.39Å; V150-G158 WeakPolarHBondContact CG1-O 3.41Å
151	L	97.7	Very high	98	Very high	80 Å²	80	39 Å²	39	42%	0.419	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	126.8	179.7	-62.5	177.6	0	0	0	111.2	H153 I176	L151-H153 VanDerWaalsContact C-N 3.28Å; L151-I176 HydrophobicContact CD1-CB 4.48Å; L151-I176 HydrophobicContact CD1-CD1 4.12Å; L151-I176 HydrophobicContact CD1-CG1 3.72Å; L151-I176 HydrophobicContact CD1-CG2 4.36Å; L151-I176 VanDerWaalsContact CD1-O 3.28Å; L151-I176 WeakPolarHBondContact CD1-O 3.32Å
152	G	97.1	Very high	98	Very high	63 Å²	63	40.4 Å²	40.4	65%	0.649	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.6	4.2	-176.4	0	0	0	0	0	114.5	V150 E154	V150-G152 PolarHBondContact O-N 2.98Å; G152-E154 WeakPolarHBondContact CA-OE2 3.43Å; G152-E154 PolarHBondContact N-OE2 3.13Å
153	H	98.2	Very high	98	Very high	38 Å²	38	40.5 Å²	40.5	18%	0.176	20%	0.204	C	C	.	.			trans	-136.1	19.6	-179.6	-64.7	-74.1	0	0	0	112.1	V150 L151 E155 E156 V157 Y292	V150-H153 CarbonylContact O-C 3.6Å; V150-H153 WeakPolarHBondContact O-CA 3.33Å; V150-H153 PolarHBondContact O-N 2.65Å; L151-H153 VanDerWaalsContact C-N 3.28Å; H153-E155 PolarHBondContact O-N 3.05Å; H153-E156 WeakPolarHBondContact CA-OE2 3.39Å; H153-E156 PolarHBondContact O-N 3.38Å; H153-V157 HydrophobicContact CB-CG2 3.98Å; H153-V157 WeakPolarHBondContact O-CG2 3.35Å; H153-V157 PolarHBondContact O-N 3.44Å; H153-Y292 HydrophobicContact CB-CD2 4.32Å; H153-Y292 HydrophobicContact CB-CE2 4.2Å; H153-Y292 PolarHBondContact CE1-O 3.35Å; H153-Y292 AromaticContact CG-CD2 3.94Å; H153-Y292 AromaticContact ND1-CD2 3.92Å
154	E	98.3	Very high	98	Very high	42 Å²	42	41.1 Å²	41.1	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-27.6	-171.2	-63.5	95.9	145.3	0	0	113	G133 V150 G152 G158 R159	G133-E154 WeakPolarHBondContact CA-O 3.23Å; V150-E154 HydrophobicContact CG1-CG 4.02Å; V150-E154 WeakPolarHBondContact O-CG 3.47Å; V150-E154 PolarHBondContact O-N 3.33Å; G152-E154 WeakPolarHBondContact CA-OE2 3.43Å; G152-E154 PolarHBondContact N-OE2 3.13Å; E154-G158 VanDerWaalsContact O-CA 3.24Å; E154-G158 WeakPolarHBondContact O-CA 3.4Å; E154-G158 PolarHBondContact O-N 2.89Å; E154-R159 HydrophobicContact CB-CG 3.93Å; E154-R159 HydrophobicContact CG-CG 3.89Å; E154-R159 IonicContact OE1-NH1 2.68Å
155	E	98.3	Very high	98	Very high	130 Å²	130	41 Å²	41	61%	0.607	21%	0.206	S	C	*	.	H	α-helix	trans	-67.7	-40.3	174.9	-173.2	175.4	-177.5	0	0	111.3	T131 L132 G133 H153	T131-E155 CarbonylContact C-O 3.18Å; T131-E155 WeakPolarHBondContact CA-O 3.25Å; T131-E155 HydrophobicContact CG2-CG 4.05Å; T131-E155 WeakPolarHBondContact CG2-OE1 3.37Å; L132-E155 PolarHBondContact N-O 3.41Å; G133-E155 WeakPolarHBondContact CA-O 3.46Å; G133-E155 PolarHBondContact N-O 3.22Å; H153-E155 PolarHBondContact O-N 3.05Å
156	E	97.8	Very high	98	Very high	30 Å²	30	40.9 Å²	40.9	14%	0.14	21%	0.205	C	C	.	.	H	α-helix	trans	-79	-42.3	179.4	-60.5	86.4	160.6	0	0	112.9	L127 K130 L132 H153	L127-E156 WeakPolarHBondContact O-CB 3.2Å; L127-E156 VanDerWaalsContact O-CG 3.27Å; L127-E156 WeakPolarHBondContact O-CG 3.3Å; K130-E156 WeakPolarHBondContact O-CA 3.32Å; K130-E156 WeakPolarHBondContact O-CG 3.28Å; L132-E156 WeakPolarHBondContact CB-O 3.46Å; H153-E156 WeakPolarHBondContact CA-OE2 3.39Å; H153-E156 PolarHBondContact O-N 3.38Å
157	V	98.4	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-121.3	-3	-164.9	-52.7	0	0	0	0	114.7	V121 L127 I136 R144 V150 H153 Y292	V121-V157 HydrophobicContact CG1-CB 4.33Å; V121-V157 HydrophobicContact CG1-CG1 4.43Å; L127-V157 HydrophobicContact CB-CG1 4.49Å; L127-V157 HydrophobicContact CD1-CG1 4.02Å; I136-V157 WeakPolarHBondContact CG2-O 3.39Å; R144-V157 PolarHBondContact NH1-O 2.69Å; R144-V157 PolarHBondContact NH2-O 3.04Å; V150-V157 HydrophobicContact CG2-CG2 4.39Å; H153-V157 HydrophobicContact CB-CG2 3.98Å; H153-V157 WeakPolarHBondContact O-CG2 3.35Å; H153-V157 PolarHBondContact O-N 3.44Å; V157-Y292 HydrophobicContact CG1-CD1 4.29Å; V157-Y292 HydrophobicContact CG1-CD2 4.21Å; V157-Y292 HydrophobicContact CG1-CE1 4.04Å; V157-Y292 HydrophobicContact CG1-CE2 4.02Å; V157-Y292 HydrophobicContact CG1-CG 4.37Å; V157-Y292 HydrophobicContact CG2-CE2 4.46Å
158	G	98.5	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.			trans	77.5	173.1	180	0	0	0	0	0	112.4	G133 R144 V150 E154	G133-G158 VanDerWaalsContact CA-CA 3.43Å; G133-G158 WeakPolarHBondContact O-CA 3.27Å; R144-G158 PolarHBondContact NH2-O 2.92Å; V150-G158 WeakPolarHBondContact CG1-O 3.41Å; E154-G158 VanDerWaalsContact O-CA 3.24Å; E154-G158 WeakPolarHBondContact O-CA 3.4Å; E154-G158 PolarHBondContact O-N 2.89Å
159	R	98.3	Very high	98.1	Very high	167 Å²	167	39.2 Å²	39.2	63%	0.63	19%	0.193	S	C	*	.	S	Bend	trans	-100.3	-27.6	-171.2	-55	-169.8	176.5	-89.4	-3.7	113.1	D137 E154	D137-R159 VanDerWaalsContact CG-N 3.26Å; D137-R159 PolarHBondContact OD1-N 3.25Å; D137-R159 WeakPolarHBondContact OD2-CB 3.24Å; D137-R159 PolarHBondContact OD2-N 2.89Å; E154-R159 HydrophobicContact CB-CG 3.93Å; E154-R159 HydrophobicContact CG-CG 3.89Å; E154-R159 IonicContact OE1-NH1 2.68Å
160	R	98.2	Very high	98	Very high	126 Å²	126	38.8 Å²	38.8	48%	0.475	19%	0.191	S	C	.	.			trans	-91.1	149.3	-169.5	-67	167.5	59.7	-174.6	-1.2	111.7	D137 I142 R144	D137-R160 PolarHBondContact O-NH1 2.94Å; D137-R160 WeakPolarHBondContact OD1-CB 3.47Å; D137-R160 PolarHBondContact OD1-N 2.94Å; I142-R160 HydrophobicContact CD1-CB 3.49Å; I142-R160 VanDerWaalsContact CD1-CB 3.49Å; I142-R160 WeakPolarHBondContact CG2-O 3.09Å; R144-R160 PolarHBondContact NE-O 3.05Å; R144-R160 PolarHBondContact NH2-O 3.19Å
161	T	98.7	Very high	98	Very high	12 Å²	12	38.5 Å²	38.5	7%	0.074	19%	0.189	C	C	.	.			trans	-142	125.1	171.4	-56.5	0	0	0	0	108.5	R144 F163 R164 T182	R144-T161 HydrophobicContact CB-CG2 4.2Å; R144-T161 WeakPolarHBondContact CD-OG1 3.2Å; R144-T161 HydrophobicContact CG-CG2 4.08Å; R144-T161 PolarHBondContact NE-OG1 3.45Å; T161-F163 WeakPolarHBondContact CG2-O 3.22Å; T161-R164 HydrophobicContact CG2-CB 4.16Å; T161-T182 VanDerWaalsContact CB-OG1 3.29Å; T161-T182 WeakPolarHBondContact CB-OG1 3.34Å; T161-T182 HydrophobicContact CG2-CG2 3.88Å; T161-T182 PolarHBondContact O-OG1 3.22Å
162	T	98.6	Very high	97.9	Very high	31 Å²	31	35.6 Å²	35.6	19%	0.19	17%	0.173	C	C	.	.	S	Bend	trans	-91.9	-52.6	173.5	-47.7	0	0	0	0	109.6	V141 I142 T183	V141-T162 WeakPolarHBondContact CA-OG1 3.27Å; V141-T162 HydrophobicContact CG1-CG2 4.08Å; I142-T162 PolarHBondContact N-OG1 3.33Å; I142-T162 PolarHBondContact O-N 3.46Å; T162-T183 PolarHBondContact O-N 3.16Å
163	F	98.8	Very high	97.6	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.6	179.8	-63.6	-60.3	0	0	0	111.1	F63 L106 F107 V141 I142 I143 R144 T161 T183 I185 I270	F63-F163 HydrophobicContact CE2-CE1 4.08Å; F63-F163 HydrophobicContact CZ-CD1 4.32Å; F63-F163 HydrophobicContact CZ-CE1 4.06Å; L106-F163 HydrophobicContact CD1-CE1 4.49Å; L106-F163 HydrophobicContact CD1-CE2 4.29Å; L106-F163 HydrophobicContact CD1-CZ 3.79Å; L106-F163 VanDerWaalsContact O-CZ 3.24Å; L106-F163 WeakPolarHBondContact O-CZ 3.4Å; F107-F163 HydrophobicContact CD1-CE2 4.48Å; F107-F163 HydrophobicContact CD1-CZ 4.11Å; F107-F163 AromaticContact CE1-CE2 3.65Å; F107-F163 HydrophobicContact CE1-CE2 3.65Å; F107-F163 AromaticContact CE1-CZ 3.7Å; F107-F163 HydrophobicContact CE1-CZ 3.7Å; F107-F163 HydrophobicContact CZ-CE2 4.17Å; F107-F163 HydrophobicContact CZ-CZ 4.4Å; V141-F163 HydrophobicContact CG1-CD2 3.57Å; V141-F163 HydrophobicContact CG1-CE2 3.69Å; I142-F163 PolarHBondContact O-N 2.97Å; I143-F163 CarbonylContact C-O 3.56Å; I143-F163 WeakPolarHBondContact CA-O 3.5Å; I143-F163 HydrophobicContact CG1-CB 4.36Å; I143-F163 HydrophobicContact CG1-CD2 4.25Å; I143-F163 HydrophobicContact CG2-CB 4.35Å; R144-F163 PolarHBondContact N-O 2.83Å; T161-F163 WeakPolarHBondContact CG2-O 3.22Å; F163-T183 CarbonylContact C-O 3.51Å; F163-T183 VanDerWaalsContact CA-O 3.27Å; F163-T183 WeakPolarHBondContact CA-O 3.29Å; F163-T183 HydrophobicContact CD1-CG2 3.83Å; F163-T183 HydrophobicContact CE1-CG2 3.88Å; F163-I185 HydrophobicContact CB-CD1 3.77Å; F163-I185 HydrophobicContact CD1-CD1 3.79Å; F163-I185 HydrophobicContact CD1-CG1 4.34Å; F163-I185 HydrophobicContact CG-CD1 3.92Å; F163-I270 HydrophobicContact CD2-CD1 4.03Å; F163-I270 HydrophobicContact CE2-CD1 3.72Å
164	R	98.8	Very high	97.5	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.045	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	111	169.9	-178.5	174.8	-72.4	-91.1	3.5	111	R144 N146 G148 T161 T182 T183 V184 I185	R144-R164 VanDerWaalsContact CD-NH2 3.34Å; R144-R164 VanDerWaalsContact O-CA 3.32Å; R144-R164 WeakPolarHBondContact O-CA 2.97Å; N146-R164 PolarHBondContact O-NH1 2.72Å; G148-R164 VanDerWaalsContact O-CZ 3.31Å; G148-R164 PolarHBondContact O-NH1 3.25Å; G148-R164 PolarHBondContact O-NH2 3.2Å; T161-R164 HydrophobicContact CG2-CB 4.16Å; R164-T182 HydrophobicContact CB-CG2 3.92Å; R164-T183 PolarHBondContact N-O 3.18Å; R164-V184 HydrophobicContact CB-CG1 4.34Å; R164-V184 CarbonylContact O-C 3.49Å; R164-V184 WeakPolarHBondContact O-CA 3.41Å; R164-I185 PolarHBondContact O-N 2.96Å
165	L	98.9	Very high	97.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	138.4	173.6	-74.4	76.3	0	0	0	109.7	I143 R144 M145 N146 I185 L229 T259 I262 A263 L266	I143-L165 HydrophobicContact CG2-CD1 3.59Å; R144-L165 PolarHBondContact O-N 3.19Å; M145-L165 CarbonylContact C-O 3.46Å; M145-L165 VanDerWaalsContact CA-O 3.29Å; M145-L165 WeakPolarHBondContact CA-O 3.44Å; M145-L165 HydrophobicContact CB-CB 4.4Å; N146-L165 PolarHBondContact N-O 2.95Å; L165-I185 WeakPolarHBondContact CA-O 3.4Å; L165-I185 HydrophobicContact CD1-CD1 4.07Å; L165-I185 HydrophobicContact CG-CB 4.28Å; L165-I185 HydrophobicContact CG-CD1 4.45Å; L165-I185 HydrophobicContact CG-CG2 4.49Å; L165-L229 HydrophobicContact CD2-CD2 4.46Å; L165-T259 HydrophobicContact CB-CG2 3.75Å; L165-T259 HydrophobicContact CD2-CG2 4.27Å; L165-I262 HydrophobicContact CD2-CB 4.34Å; L165-I262 HydrophobicContact CD2-CG2 3.77Å; L165-A263 HydrophobicContact CD1-CB 4.03Å; L165-A263 HydrophobicContact CD2-CB 4.05Å; L165-L266 HydrophobicContact CD1-CD2 3.85Å
166	F	98.4	Very high	97.2	Very high	2 Å²	2	39 Å²	39	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	164.3	175.9	75.7	-84.4	0	0	0	111.5	V171 V184 I185 L186 T187 W196	F166-V171 HydrophobicContact CB-CB 4.26Å; F166-V171 HydrophobicContact CB-CG2 4.41Å; F166-V171 HydrophobicContact CD2-CB 3.55Å; F166-V171 HydrophobicContact CD2-CG2 3.66Å; F166-V171 HydrophobicContact CE2-CB 4.15Å; F166-V171 HydrophobicContact CE2-CG2 3.98Å; F166-V171 HydrophobicContact CG-CB 4.08Å; F166-V171 HydrophobicContact CG-CG2 3.95Å; F166-V184 HydrophobicContact CD1-CB 3.8Å; F166-V184 HydrophobicContact CD1-CG2 4.4Å; F166-V184 HydrophobicContact CE1-CB 3.59Å; F166-V184 HydrophobicContact CE1-CG2 3.7Å; F166-V184 HydrophobicContact CZ-CG2 4.46Å; F166-I185 WeakPolarHBondContact CD1-O 3.44Å; F166-I185 PolarHBondContact N-O 3.27Å; F166-L186 HydrophobicContact CD2-CD1 4.27Å; F166-L186 HydrophobicContact CE1-CB 4.23Å; F166-L186 HydrophobicContact CE2-CB 4.4Å; F166-L186 HydrophobicContact CE2-CD1 3.77Å; F166-L186 HydrophobicContact CZ-CB 3.91Å; F166-L186 HydrophobicContact CZ-CD1 4.15Å; F166-T187 PolarHBondContact O-N 2.85Å; F166-W196 AromaticContact CE2-CH2 3.82Å; F166-W196 HydrophobicContact CE2-CH2 3.82Å; F166-W196 AromaticContact CE2-CZ3 3.82Å; F166-W196 HydrophobicContact CE2-CZ3 3.82Å
167	Y	97.7	Very high	97.2	Very high	45 Å²	45	40.1 Å²	40.1	18%	0.176	20%	0.196	C	C	.	.			trans	-133.1	164.8	164.7	61.3	-87.2	0	0	0	108.9	N146 E169 S170 V171 F189 W212	N146-Y167 WeakPolarHBondContact OD1-CE1 3.47Å; Y167-E169 VanDerWaalsContact C-N 3.29Å; Y167-E169 HydrophobicContact CD2-CB 4.23Å; Y167-E169 VanDerWaalsContact CD2-OE2 3.29Å; Y167-E169 WeakPolarHBondContact CD2-OE2 3.39Å; Y167-E169 HydrophobicContact CE2-CB 3.91Å; Y167-E169 PolarHBondContact O-N 2.88Å; Y167-E169 VanDerWaalsContact O-N 3.07Å; Y167-S170 WeakPolarHBondContact CD1-OG 3.47Å; Y167-S170 VanDerWaalsContact CE1-CB 3.47Å; Y167-S170 VanDerWaalsContact CE1-OG 3.31Å; Y167-S170 WeakPolarHBondContact CE1-OG 3.28Å; Y167-S170 PolarHBondContact N-OG 3.33Å; Y167-S170 PolarHBondContact O-N 2.98Å; Y167-S170 PolarHBondContact O-OG 2.83Å; Y167-V171 PolarHBondContact O-N 2.97Å; Y167-F189 HydrophobicContact CD1-CE2 4.02Å; Y167-F189 HydrophobicContact CG-CD2 4.33Å; Y167-F189 HydrophobicContact CG-CE2 4.09Å; Y167-W212 AromaticContact CE2-CZ2 3.9Å; Y167-W212 HydrophobicContact CE2-CZ2 3.9Å; Y167-W212 AromaticContact CE2-NE1 3.88Å
168	P	97.9	Very high	97	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-38.5	-165.2	-31.8	38.6	0	0	0	115.9	S170 D193 W196 F211 P215 A216	P168-S170 VanDerWaalsContact C-N 3.29Å; P168-S170 PolarHBondContact O-N 2.91Å; P168-D193 HydrophobicContact CG-CB 3.77Å; P168-W196 HydrophobicContact CB-CD2 3.64Å; P168-W196 HydrophobicContact CB-CE3 3.91Å; P168-W196 HydrophobicContact CB-CG 4.07Å; P168-W196 HydrophobicContact CB-CH2 4.35Å; P168-W196 HydrophobicContact CB-CZ2 4.11Å; P168-W196 HydrophobicContact CB-CZ3 4.27Å; P168-W196 HydrophobicContact CG-CD2 3.73Å; P168-W196 HydrophobicContact CG-CE3 3.55Å; P168-W196 HydrophobicContact CG-CG 4.21Å; P168-W196 HydrophobicContact CG-CZ3 4.01Å; P168-F211 HydrophobicContact CB-CD1 4.12Å; P168-F211 HydrophobicContact CB-CE1 3.74Å; P168-F211 HydrophobicContact CG-CE1 3.9Å; P168-P215 HydrophobicContact CB-CB 3.8Å; P168-A216 PolarHBondContact O-N 3.25Å
169	E	95.5	Very high	96.9	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.037	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.5	-179	-55.4	94	139.7	0	0	114.4	Y167 K190 F211 W212 K213	Y167-E169 VanDerWaalsContact C-N 3.29Å; Y167-E169 HydrophobicContact CD2-CB 4.23Å; Y167-E169 VanDerWaalsContact CD2-OE2 3.29Å; Y167-E169 WeakPolarHBondContact CD2-OE2 3.39Å; Y167-E169 HydrophobicContact CE2-CB 3.91Å; Y167-E169 PolarHBondContact O-N 2.88Å; Y167-E169 VanDerWaalsContact O-N 3.07Å; E169-K190 IonicContact OE1-NZ 3.52Å; E169-K190 PolarHBondContact OE1-NZ 2.86Å; E169-K190 IonicContact OE2-NZ 3.31Å; E169-F211 HydrophobicContact CG-CB 4.1Å; E169-F211 HydrophobicContact CG-CD1 4.2Å; E169-F211 VanDerWaalsContact OE1-CD1 3.31Å; E169-F211 WeakPolarHBondContact OE1-CD1 3.16Å; E169-W212 HydrophobicContact CB-CZ2 3.69Å; E169-W212 VanDerWaalsContact CD-NE1 3.32Å; E169-W212 HydrophobicContact CG-CZ2 4.36Å; E169-W212 PolarHBondContact OE1-NE1 3.48Å; E169-W212 VanDerWaalsContact OE1-NE1 3.15Å; E169-K213 HydrophobicContact CB-CB 4.16Å; E169-K213 HydrophobicContact CG-CB 4.16Å; E169-K213 WeakPolarHBondContact CG-O 3.31Å
170	S	96	Very high	96.7	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.042	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-6.9	-173.4	70.9	0	0	0	0	115.3	N146 N147 Y167 P168	N146-S170 CarbonylContact C-O 3.58Å; N147-S170 PolarHBondContact N-O 3.5Å; N147-S170 VanDerWaalsContact N-O 3.08Å; Y167-S170 WeakPolarHBondContact CD1-OG 3.47Å; Y167-S170 VanDerWaalsContact CE1-CB 3.47Å; Y167-S170 VanDerWaalsContact CE1-OG 3.31Å; Y167-S170 WeakPolarHBondContact CE1-OG 3.28Å; Y167-S170 PolarHBondContact N-OG 3.33Å; Y167-S170 PolarHBondContact O-N 2.98Å; Y167-S170 PolarHBondContact O-OG 2.83Å; P168-S170 VanDerWaalsContact C-N 3.29Å; P168-S170 PolarHBondContact O-N 2.91Å
171	V	97.1	Very high	96.6	Very high	14 Å²	14	41.3 Å²	41.3	9%	0.085	23%	0.229	C	C	.	.	S	Bend	trans	-71.5	146.7	179.7	71.1	0	0	0	0	111.1	F166 Y167 W196 A216 L219 Y221	F166-V171 HydrophobicContact CB-CB 4.26Å; F166-V171 HydrophobicContact CB-CG2 4.41Å; F166-V171 HydrophobicContact CD2-CB 3.55Å; F166-V171 HydrophobicContact CD2-CG2 3.66Å; F166-V171 HydrophobicContact CE2-CB 4.15Å; F166-V171 HydrophobicContact CE2-CG2 3.98Å; F166-V171 HydrophobicContact CG-CB 4.08Å; F166-V171 HydrophobicContact CG-CG2 3.95Å; Y167-V171 PolarHBondContact O-N 2.97Å; V171-W196 HydrophobicContact CG1-CH2 4.04Å; V171-W196 HydrophobicContact CG1-CZ2 4.05Å; V171-A216 HydrophobicContact CG1-CB 3.44Å; V171-A216 VanDerWaalsContact CG1-CB 3.44Å; V171-L219 HydrophobicContact CG2-CD2 4.41Å; V171-Y221 HydrophobicContact CG2-CD2 4.25Å; V171-Y221 HydrophobicContact CG2-CE2 3.75Å
172	F	96	Very high	96.5	Very high	19 Å²	19	41 Å²	41	8%	0.083	23%	0.227	C	C	.	.			trans	-67.5	131.6	168	-71	-59.2	0	0	0	110.9	N147 P149 H177 I220	N147-F172 HydrophobicContact CB-CD1 4.27Å; N147-F172 HydrophobicContact CB-CE1 3.86Å; N147-F172 HydrophobicContact CB-CZ 4.3Å; N147-F172 WeakPolarHBondContact O-CZ 3.5Å; P149-F172 HydrophobicContact CB-CZ 4.31Å; F172-H177 HydrophobicContact CB-CB 3.92Å; F172-H177 HydrophobicContact CD1-CB 4.03Å; F172-H177 AromaticContact CD1-CD2 3.31Å; F172-H177 WeakPolarHBondContact CD1-CD2 3.36Å; F172-H177 AromaticContact CD1-CG 3.74Å; F172-H177 AromaticContact CD1-NE2 3.96Å; F172-H177 HydrophobicContact CD2-CB 3.85Å; F172-H177 AromaticContact CE1-CD2 3.59Å; F172-H177 AromaticContact CE1-CG 3.91Å; F172-H177 AromaticContact CE1-NE2 3.79Å; F172-H177 HydrophobicContact CE2-CB 4.32Å; F172-H177 HydrophobicContact CG-CB 3.69Å; F172-H177 AromaticContact CG-CD2 3.9Å; F172-H177 AromaticContact CG-CG 3.93Å; F172-I220 HydrophobicContact CB-CD1 3.73Å
173	S	92.4	Very high	96.5	Very high	56 Å²	56	40.7 Å²	40.7	39%	0.392	23%	0.225	S	C	.	.			trans	-110.3	-16.1	174	58.3	0	0	0	0	113.2	N218 I220	S173-N218 PolarHBondContact O-ND2 2.96Å; S173-N218 VanDerWaalsContact O-ND2 3.15Å; S173-I220 VanDerWaalsContact O-CG2 3.3Å; S173-I220 WeakPolarHBondContact O-CG2 3.16Å
174	D	94.7	Very high	96.5	Very high	85 Å²	85	40.6 Å²	40.6	46%	0.455	23%	0.225	S	C	.	.	S	Bend	trans	-80.8	123.7	178.3	-167.7	-38.9	0	0	0	110.2	I176 H177 I220	D174-I176 HydrophobicContact CB-CG2 4.21Å; D174-I176 PolarHBondContact O-N 3.01Å; D174-I176 VanDerWaalsContact O-N 3.12Å; D174-I176 WeakPolarHBondContact OD1-CB 2.9Å; D174-I176 VanDerWaalsContact OD1-CG2 3.31Å; D174-I176 WeakPolarHBondContact OD1-CG2 3.32Å; D174-I176 PolarHBondContact OD1-N 3.17Å; D174-H177 PolarHBondContact O-N 2.72Å; D174-H177 VanDerWaalsContact O-N 3.13Å; D174-I220 WeakPolarHBondContact O-CD1 3.42Å
175	P	95.4	Very high	96.5	Very high	93 Å²	93	40 Å²	40	60%	0.604	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-55.8	-23.5	178.6	-26.3	35.5	0	0	0	115.1	H177 N178 I220	P175-H177 PolarHBondContact O-N 2.76Å; P175-H177 VanDerWaalsContact O-N 3.17Å; P175-N178 WeakPolarHBondContact O-CB 3.47Å; P175-N178 PolarHBondContact O-N 3.21Å; P175-I220 HydrophobicContact CG-CG2 4.48Å
176	I	96	Very high	96.5	Very high	111 Å²	111	40 Å²	40	57%	0.569	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-60.4	-26.5	178.2	-158	178.9	0	0	0	112.3	L151 D174 N178	L151-I176 HydrophobicContact CD1-CB 4.48Å; L151-I176 HydrophobicContact CD1-CD1 4.12Å; L151-I176 HydrophobicContact CD1-CG1 3.72Å; L151-I176 HydrophobicContact CD1-CG2 4.36Å; L151-I176 VanDerWaalsContact CD1-O 3.28Å; L151-I176 WeakPolarHBondContact CD1-O 3.32Å; D174-I176 HydrophobicContact CB-CG2 4.21Å; D174-I176 PolarHBondContact O-N 3.01Å; D174-I176 VanDerWaalsContact O-N 3.12Å; D174-I176 WeakPolarHBondContact OD1-CB 2.9Å; D174-I176 VanDerWaalsContact OD1-CG2 3.31Å; D174-I176 WeakPolarHBondContact OD1-CG2 3.32Å; D174-I176 PolarHBondContact OD1-N 3.17Å; I176-N178 VanDerWaalsContact C-N 3.33Å
177	H	96.5	Very high	96.5	Very high	52 Å²	52	40 Å²	40	24%	0.241	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-90.3	6.1	178.9	-63.3	-54.2	0	0	0	113.7	F172 D174 P175 D179 I220	F172-H177 HydrophobicContact CB-CB 3.92Å; F172-H177 HydrophobicContact CD1-CB 4.03Å; F172-H177 AromaticContact CD1-CD2 3.31Å; F172-H177 WeakPolarHBondContact CD1-CD2 3.36Å; F172-H177 AromaticContact CD1-CG 3.74Å; F172-H177 AromaticContact CD1-NE2 3.96Å; F172-H177 HydrophobicContact CD2-CB 3.85Å; F172-H177 AromaticContact CE1-CD2 3.59Å; F172-H177 AromaticContact CE1-CG 3.91Å; F172-H177 AromaticContact CE1-NE2 3.79Å; F172-H177 HydrophobicContact CE2-CB 4.32Å; F172-H177 HydrophobicContact CG-CB 3.69Å; F172-H177 AromaticContact CG-CD2 3.9Å; F172-H177 AromaticContact CG-CG 3.93Å; D174-H177 PolarHBondContact O-N 2.72Å; D174-H177 VanDerWaalsContact O-N 3.13Å; P175-H177 PolarHBondContact O-N 2.76Å; P175-H177 VanDerWaalsContact O-N 3.17Å; H177-D179 PolarHBondContact O-N 3.49Å; H177-I220 HydrophobicContact CB-CD1 4.26Å
178	N	95.1	Very high	96.5	Very high	66 Å²	66	38 Å²	38	35%	0.353	22%	0.215	S	C	.	.			trans	-70.5	121.3	177.8	-170.7	-19.8	0	0	0	110.2	P175 I176 I220	P175-N178 WeakPolarHBondContact O-CB 3.47Å; P175-N178 PolarHBondContact O-N 3.21Å; I176-N178 VanDerWaalsContact C-N 3.33Å; N178-I220 HydrophobicContact CB-CB 4.41Å; N178-I220 HydrophobicContact CB-CD1 4.27Å; N178-I220 PolarHBondContact ND2-O 3.15Å
179	D	95.9	Very high	96.5	Very high	40 Å²	40	40.2 Å²	40.2	21%	0.214	23%	0.225	C	C	.	.			trans	-118.2	114.5	167.6	173.7	11.2	0	0	0	108.7	H177 N181 T182 Q225	H177-D179 PolarHBondContact O-N 3.49Å; D179-N181 PolarHBondContact O-N 3.32Å; D179-N181 WeakPolarHBondContact OD1-CB 3.18Å; D179-N181 PolarHBondContact OD1-N 2.93Å; D179-T182 PolarHBondContact O-N 3.11Å; D179-T182 PolarHBondContact OD2-OG1 2.88Å; D179-Q225 PolarHBondContact O-NE2 3.16Å
180	P	95	Very high	96.5	Very high	78 Å²	78	42.2 Å²	42.2	51%	0.506	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.2	-179.1	27.1	-34.9	0	0	0	113.5	Q225	P180-Q225 PolarHBondContact O-NE2 3.05Å
181	N	94.8	Very high	96.5	Very high	135 Å²	135	43.8 Å²	43.8	72%	0.722	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-12.8	179.7	-60.4	-45.7	0	0	0	112.9	D179	D179-N181 PolarHBondContact O-N 3.32Å; D179-N181 WeakPolarHBondContact OD1-CB 3.18Å; D179-N181 PolarHBondContact OD1-N 2.93Å
182	T	97.5	Very high	96.5	Very high	4 Å²	4	46.6 Å²	46.6	3%	0.025	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-77.1	129.2	178	-72.6	0	0	0	0	110.4	T161 R164 D179 V184 Q225	T161-T182 VanDerWaalsContact CB-OG1 3.29Å; T161-T182 WeakPolarHBondContact CB-OG1 3.34Å; T161-T182 HydrophobicContact CG2-CG2 3.88Å; T161-T182 PolarHBondContact O-OG1 3.22Å; R164-T182 HydrophobicContact CB-CG2 3.92Å; D179-T182 PolarHBondContact O-N 3.11Å; D179-T182 PolarHBondContact OD2-OG1 2.88Å; T182-V184 HydrophobicContact CG2-CG1 3.82Å; T182-Q225 PolarHBondContact O-NE2 3.26Å
183	T	98.2	Very high	96.6	Very high	25 Å²	25	45.7 Å²	45.7	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.3	162.3	-67.5	0	0	0	0	109.5	T162 F163 R164 Q225 R227	T162-T183 PolarHBondContact O-N 3.16Å; F163-T183 CarbonylContact C-O 3.51Å; F163-T183 VanDerWaalsContact CA-O 3.27Å; F163-T183 WeakPolarHBondContact CA-O 3.29Å; F163-T183 HydrophobicContact CD1-CG2 3.83Å; F163-T183 HydrophobicContact CE1-CG2 3.88Å; R164-T183 PolarHBondContact N-O 3.18Å; T183-Q225 CarbonylContact C-O 3.48Å; T183-Q225 WeakPolarHBondContact CA-O 3.43Å; T183-R227 HydrophobicContact CG2-CB 4.46Å; T183-R227 HydrophobicContact CG2-CG 3.53Å
184	V	98.5	Very high	96.9	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	135.2	178.2	-62.9	0	0	0	0	111.3	R164 F166 T182 Y221 Q225 I226 R227	R164-V184 HydrophobicContact CB-CG1 4.34Å; R164-V184 CarbonylContact O-C 3.49Å; R164-V184 WeakPolarHBondContact O-CA 3.41Å; F166-V184 HydrophobicContact CD1-CB 3.8Å; F166-V184 HydrophobicContact CD1-CG2 4.4Å; F166-V184 HydrophobicContact CE1-CB 3.59Å; F166-V184 HydrophobicContact CE1-CG2 3.7Å; F166-V184 HydrophobicContact CZ-CG2 4.46Å; T182-V184 HydrophobicContact CG2-CG1 3.82Å; V184-Y221 HydrophobicContact CB-CD1 4.48Å; V184-Y221 HydrophobicContact CB-CD2 4.38Å; V184-Y221 HydrophobicContact CB-CG 4.34Å; V184-Y221 HydrophobicContact CG1-CD1 3.5Å; V184-Y221 VanDerWaalsContact CG1-CD1 3.5Å; V184-Y221 HydrophobicContact CG1-CD2 3.87Å; V184-Y221 HydrophobicContact CG1-CE1 3.33Å; V184-Y221 HydrophobicContact CG1-CE2 3.74Å; V184-Y221 HydrophobicContact CG1-CG 3.75Å; V184-Y221 VanDerWaalsContact CG1-CZ 3.46Å; V184-Y221 HydrophobicContact CG2-CD1 4.15Å; V184-Y221 HydrophobicContact CG2-CD2 3.88Å; V184-Y221 HydrophobicContact CG2-CG 3.67Å; V184-Q225 PolarHBondContact N-O 2.82Å; V184-I226 HydrophobicContact CG2-CB 4.31Å; V184-I226 HydrophobicContact CG2-CG1 3.7Å; V184-I226 CarbonylContact O-C 3.59Å; V184-I226 WeakPolarHBondContact O-CA 3.27Å; V184-R227 PolarHBondContact O-N 2.8Å
185	I	98.8	Very high	97	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	110.5	-172	-57.3	165.6	0	0	0	108.5	F63 F163 R164 L165 F166 T187 R227 L229 L266	F63-I185 HydrophobicContact CD1-CG2 4.45Å; F63-I185 HydrophobicContact CE1-CD1 3.6Å; F63-I185 HydrophobicContact CE1-CG1 3.84Å; F63-I185 HydrophobicContact CE1-CG2 4.02Å; F63-I185 HydrophobicContact CZ-CD1 3.58Å; F63-I185 HydrophobicContact CZ-CG1 3.94Å; F163-I185 HydrophobicContact CB-CD1 3.77Å; F163-I185 HydrophobicContact CD1-CD1 3.79Å; F163-I185 HydrophobicContact CD1-CG1 4.34Å; F163-I185 HydrophobicContact CG-CD1 3.92Å; R164-I185 PolarHBondContact O-N 2.96Å; L165-I185 WeakPolarHBondContact CA-O 3.4Å; L165-I185 HydrophobicContact CD1-CD1 4.07Å; L165-I185 HydrophobicContact CG-CB 4.28Å; L165-I185 HydrophobicContact CG-CD1 4.45Å; L165-I185 HydrophobicContact CG-CG2 4.49Å; F166-I185 WeakPolarHBondContact CD1-O 3.44Å; F166-I185 PolarHBondContact N-O 3.27Å; I185-T187 PolarHBondContact O-N 3.13Å; I185-R227 CarbonylContact C-O 3.5Å; I185-R227 WeakPolarHBondContact CA-O 3.32Å; I185-R227 HydrophobicContact CG1-CB 4.35Å; I185-L229 HydrophobicContact CG2-CB 3.69Å; I185-L229 HydrophobicContact CG2-CD1 4.09Å; I185-L229 HydrophobicContact CG2-CG 4.4Å; I185-L266 HydrophobicContact CD1-CD2 3.58Å
186	L	98.8	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.8	171.3	178.1	65	0	0	0	109.3	F166 L194 W196 L197 R227 I228 L229	F166-L186 HydrophobicContact CD2-CD1 4.27Å; F166-L186 HydrophobicContact CE1-CB 4.23Å; F166-L186 HydrophobicContact CE2-CB 4.4Å; F166-L186 HydrophobicContact CE2-CD1 3.77Å; F166-L186 HydrophobicContact CZ-CB 3.91Å; F166-L186 HydrophobicContact CZ-CD1 4.15Å; L186-L194 HydrophobicContact CD2-CD2 4.15Å; L186-W196 HydrophobicContact CD1-CZ3 4.36Å; L186-L197 HydrophobicContact CD2-CB 3.98Å; L186-L197 HydrophobicContact CD2-CD2 3.55Å; L186-L197 HydrophobicContact CD2-CG 4.33Å; L186-R227 PolarHBondContact N-O 3.45Å; L186-I228 HydrophobicContact CB-CG1 4.39Å; L186-I228 HydrophobicContact CD2-CG1 4.36Å; L186-L229 PolarHBondContact O-N 2.78Å
187	T	98.7	Very high	97.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.			trans	-95.9	92.2	170.4	-56.5	0	0	0	0	107.9	F166 I185 F189 L229 I234 I262	F166-T187 PolarHBondContact O-N 2.85Å; I185-T187 PolarHBondContact O-N 3.13Å; T187-F189 HydrophobicContact CG2-CE1 4.37Å; T187-F189 HydrophobicContact CG2-CE2 3.76Å; T187-F189 HydrophobicContact CG2-CZ 3.67Å; T187-F189 VanDerWaalsContact O-CD2 3.25Å; T187-F189 WeakPolarHBondContact O-CD2 3.41Å; T187-F189 WeakPolarHBondContact O-CE2 3.46Å; T187-L229 HydrophobicContact CG2-CD2 4.19Å; T187-I234 HydrophobicContact CG2-CD1 3.58Å; T187-I234 HydrophobicContact CG2-CG1 4.22Å; T187-I262 HydrophobicContact CG2-CD1 3.97Å; T187-I262 HydrophobicContact CG2-CG2 4.24Å
188	A	98.4	Very high	97.3	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	16%	0.162	C	C	.	.			trans	-75.5	125.9	-177.5	0	0	0	0	0	111.1	L83 D193 L194	L83-A188 HydrophobicContact CD2-CB 4.19Å; L83-A188 WeakPolarHBondContact CD2-O 3.22Å; A188-D193 HydrophobicContact CB-CB 4.34Å; A188-L194 HydrophobicContact CB-CD1 4.47Å; A188-L194 HydrophobicContact CB-CD2 4.13Å; A188-L194 HydrophobicContact CB-CG 4.01Å
189	F	96.3	Very high	97.3	Very high	48 Å²	48	29.4 Å²	29.4	21%	0.211	15%	0.152	C	C	.	.			trans	-104.4	-24.9	176.3	-67.7	-82.4	0	0	0	113.2	P84 Y167 T187 D193 I262	P84-F189 HydrophobicContact CB-CB 4.45Å; P84-F189 HydrophobicContact CB-CD1 3.84Å; P84-F189 HydrophobicContact CG-CD1 4.47Å; Y167-F189 HydrophobicContact CD1-CE2 4.02Å; Y167-F189 HydrophobicContact CG-CD2 4.33Å; Y167-F189 HydrophobicContact CG-CE2 4.09Å; T187-F189 HydrophobicContact CG2-CE1 4.37Å; T187-F189 HydrophobicContact CG2-CE2 3.76Å; T187-F189 HydrophobicContact CG2-CZ 3.67Å; T187-F189 VanDerWaalsContact O-CD2 3.25Å; T187-F189 WeakPolarHBondContact O-CD2 3.41Å; T187-F189 WeakPolarHBondContact O-CE2 3.46Å; F189-D193 WeakPolarHBondContact CA-OD2 3.34Å; F189-D193 PolarHBondContact N-OD2 2.85Å; F189-I262 HydrophobicContact CE1-CD1 3.94Å; F189-I262 HydrophobicContact CZ-CD1 3.81Å
190	K	95.8	Very high	97.3	Very high	51 Å²	51	28.8 Å²	28.8	22%	0.222	15%	0.149	C	C	.	.	S	Bend	trans	-145.2	157.4	-178.5	55.3	-175.8	-176.5	-58.8	0	110.9	L83 E169 H192 D193	L83-K190 VanDerWaalsContact CD1-C 3.49Å; E169-K190 IonicContact OE1-NZ 3.52Å; E169-K190 PolarHBondContact OE1-NZ 2.86Å; E169-K190 IonicContact OE2-NZ 3.31Å; K190-H192 HydrophobicContact CD-CB 4.24Å; K190-H192 HydrophobicContact CG-CB 4.16Å; K190-H192 PolarHBondContact O-N 2.74Å; K190-H192 VanDerWaalsContact O-N 3.09Å; K190-D193 WeakPolarHBondContact CE-OD1 3.32Å; K190-D193 VanDerWaalsContact CG-OD1 3.27Å; K190-D193 WeakPolarHBondContact CG-OD1 3.43Å; K190-D193 WeakPolarHBondContact CG-OD2 3.24Å; K190-D193 PolarHBondContact N-OD2 3.43Å; K190-D193 IonicContact NZ-OD1 3.66Å; K190-D193 PolarHBondContact NZ-OD1 3.06Å; K190-D193 IonicContact NZ-OD2 2.67Å; K190-D193 WeakPolarHBondContact O-CB 3.48Å; K190-D193 PolarHBondContact O-N 2.96Å
191	P	97.2	Very high	97.3	Very high	39 Å²	39	27 Å²	27	25%	0.253	14%	0.135	S	C	.	.	H	α-helix	trans	-54.9	-32.3	178.8	-22.5	28.4	0	0	0	113.7	S90 Y93 D193 L194 R195	S90-P191 WeakPolarHBondContact OG-CG 3.36Å; Y93-P191 HydrophobicContact CD1-CB 4.47Å; Y93-P191 HydrophobicContact CD2-CB 3.99Å; Y93-P191 HydrophobicContact CE1-CB 4.47Å; Y93-P191 HydrophobicContact CE2-CB 3.99Å; Y93-P191 HydrophobicContact CG-CB 4.24Å; P191-D193 PolarHBondContact O-N 1.97Å; P191-L194 PolarHBondContact O-N 2.98Å; P191-R195 PolarHBondContact O-N 3.11Å; P191-R195 VanDerWaalsContact O-N 3.13Å
192	H	96.5	Very high	97.2	Very high	72 Å²	72	24.9 Å²	24.9	33%	0.333	12%	0.121	S	C	.	.	H	α-helix	trans	-59.2	-29.4	177.1	-66.7	82.7	0	0	0	112.8	K190 R195 W196 F211	K190-H192 HydrophobicContact CD-CB 4.24Å; K190-H192 HydrophobicContact CG-CB 4.16Å; K190-H192 PolarHBondContact O-N 2.74Å; K190-H192 VanDerWaalsContact O-N 3.09Å; H192-R195 PolarHBondContact CD2-NH1 3.42Å; H192-R195 PolarHBondContact NE2-NH1 3.48Å; H192-R195 PolarHBondContact O-N 2.93Å; H192-W196 VanDerWaalsContact O-CB 3.28Å; H192-W196 WeakPolarHBondContact O-CB 3.49Å; H192-W196 PolarHBondContact O-N 3.3Å; H192-F211 HydrophobicContact CB-CE1 4.47Å; H192-F211 HydrophobicContact CB-CE2 4.45Å; H192-F211 HydrophobicContact CB-CZ 3.97Å
193	D	98.2	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-69.5	-37.6	179.9	-55.3	-25.3	0	0	0	111.5	P168 A188 F189 K190 P191 L197	P168-D193 HydrophobicContact CG-CB 3.77Å; A188-D193 HydrophobicContact CB-CB 4.34Å; F189-D193 WeakPolarHBondContact CA-OD2 3.34Å; F189-D193 PolarHBondContact N-OD2 2.85Å; K190-D193 WeakPolarHBondContact CE-OD1 3.32Å; K190-D193 VanDerWaalsContact CG-OD1 3.27Å; K190-D193 WeakPolarHBondContact CG-OD1 3.43Å; K190-D193 WeakPolarHBondContact CG-OD2 3.24Å; K190-D193 PolarHBondContact N-OD2 3.43Å; K190-D193 IonicContact NZ-OD1 3.66Å; K190-D193 PolarHBondContact NZ-OD1 3.06Å; K190-D193 IonicContact NZ-OD2 2.67Å; K190-D193 WeakPolarHBondContact O-CB 3.48Å; K190-D193 PolarHBondContact O-N 2.96Å; P191-D193 PolarHBondContact O-N 1.97Å; D193-L197 PolarHBondContact O-N 2.88Å; D193-L197 VanDerWaalsContact O-N 3.15Å
194	L	98.5	Very high	96.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-74	-38.4	177	-67.5	164.8	0	0	0	111.5	L83 F94 A97 L186 A188 P191 L197 L198 I228	L83-L194 HydrophobicContact CD1-CD1 4.05Å; F94-L194 HydrophobicContact CD1-CD1 3.78Å; F94-L194 HydrophobicContact CD1-CD2 3.78Å; F94-L194 HydrophobicContact CD1-CG 4.45Å; F94-L194 HydrophobicContact CD2-CD1 3.6Å; F94-L194 HydrophobicContact CE1-CD1 3.82Å; F94-L194 HydrophobicContact CE1-CD2 3.86Å; F94-L194 HydrophobicContact CE1-CG 4.43Å; F94-L194 HydrophobicContact CE2-CD1 3.63Å; F94-L194 HydrophobicContact CG-CD1 3.69Å; F94-L194 HydrophobicContact CG-CD2 4.41Å; F94-L194 HydrophobicContact CZ-CD1 3.76Å; A97-L194 HydrophobicContact CB-CB 4.47Å; A97-L194 HydrophobicContact CB-CD2 4.19Å; L186-L194 HydrophobicContact CD2-CD2 4.15Å; A188-L194 HydrophobicContact CB-CD1 4.47Å; A188-L194 HydrophobicContact CB-CD2 4.13Å; A188-L194 HydrophobicContact CB-CG 4.01Å; P191-L194 PolarHBondContact O-N 2.98Å; L194-L197 PolarHBondContact O-N 3.22Å; L194-L198 PolarHBondContact O-N 3.28Å; L194-I228 HydrophobicContact CD2-CD1 4.03Å; L194-I228 HydrophobicContact CD2-CG2 4.32Å
195	R	97.5	Very high	96.4	Very high	66 Å²	66	40.3 Å²	40.3	25%	0.249	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-46.1	172.4	-172.2	-171.7	-66.2	135.6	-1.8	110.9	Y93 P191 H192 L197 L198 E199	Y93-R195 HydrophobicContact CD1-CB 4.08Å; Y93-R195 HydrophobicContact CE1-CB 4.12Å; Y93-R195 PolarHBondContact OH-NH2 2.99Å; P191-R195 PolarHBondContact O-N 3.11Å; P191-R195 VanDerWaalsContact O-N 3.13Å; H192-R195 PolarHBondContact CD2-NH1 3.42Å; H192-R195 PolarHBondContact NE2-NH1 3.48Å; H192-R195 PolarHBondContact O-N 2.93Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 3.4Å; R195-L198 WeakPolarHBondContact O-CB 3.41Å; R195-L198 PolarHBondContact O-N 3.31Å; R195-L198 VanDerWaalsContact O-N 3.12Å; R195-E199 VanDerWaalsContact CD-OE1 3.24Å; R195-E199 WeakPolarHBondContact CD-OE1 3.32Å; R195-E199 HydrophobicContact CG-CG 4.25Å; R195-E199 WeakPolarHBondContact CG-OE1 3.5Å; R195-E199 WeakPolarHBondContact O-CG 3.21Å; R195-E199 PolarHBondContact O-N 3.02Å
196	W	97.9	Very high	96.2	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-56.2	-44.3	176.6	164.5	87.6	0	0	0	112	F166 P168 V171 L186 H192 E199 L200 F211 A216 L219	F166-W196 AromaticContact CE2-CH2 3.82Å; F166-W196 HydrophobicContact CE2-CH2 3.82Å; F166-W196 AromaticContact CE2-CZ3 3.82Å; F166-W196 HydrophobicContact CE2-CZ3 3.82Å; P168-W196 HydrophobicContact CB-CD2 3.64Å; P168-W196 HydrophobicContact CB-CE3 3.91Å; P168-W196 HydrophobicContact CB-CG 4.07Å; P168-W196 HydrophobicContact CB-CH2 4.35Å; P168-W196 HydrophobicContact CB-CZ2 4.11Å; P168-W196 HydrophobicContact CB-CZ3 4.27Å; P168-W196 HydrophobicContact CG-CD2 3.73Å; P168-W196 HydrophobicContact CG-CE3 3.55Å; P168-W196 HydrophobicContact CG-CG 4.21Å; P168-W196 HydrophobicContact CG-CZ3 4.01Å; V171-W196 HydrophobicContact CG1-CH2 4.04Å; V171-W196 HydrophobicContact CG1-CZ2 4.05Å; L186-W196 HydrophobicContact CD1-CZ3 4.36Å; H192-W196 VanDerWaalsContact O-CB 3.28Å; H192-W196 WeakPolarHBondContact O-CB 3.49Å; H192-W196 PolarHBondContact O-N 3.3Å; W196-E199 PolarHBondContact O-N 2.91Å; W196-L200 HydrophobicContact CD2-CD1 3.59Å; W196-L200 HydrophobicContact CE3-CD1 4.06Å; W196-L200 HydrophobicContact CG-CD1 4.17Å; W196-L200 HydrophobicContact CH2-CD1 3.73Å; W196-L200 HydrophobicContact CZ2-CD1 3.19Å; W196-L200 HydrophobicContact CZ3-CD1 4.11Å; W196-L200 WeakPolarHBondContact O-CB 3.47Å; W196-L200 PolarHBondContact O-N 2.87Å; W196-F211 HydrophobicContact CB-CE1 4.48Å; W196-F211 HydrophobicContact CB-CZ 3.84Å; W196-F211 HydrophobicContact CG-CZ 4.32Å; W196-A216 HydrophobicContact CZ2-CB 4.25Å; W196-A216 PolarHBondContact NE1-O 3.38Å; W196-L219 HydrophobicContact CH2-CD2 3.79Å; W196-L219 HydrophobicContact CZ2-CD2 4.28Å
197	L	98	Very high	95.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-63.6	-44	176.5	177.6	62.8	0	0	0	111.2	A97 L186 D193 L194 R195 L200 L201 L219 I226 I228	A97-L197 HydrophobicContact CB-CD2 4.46Å; L186-L197 HydrophobicContact CD2-CB 3.98Å; L186-L197 HydrophobicContact CD2-CD2 3.55Å; L186-L197 HydrophobicContact CD2-CG 4.33Å; D193-L197 PolarHBondContact O-N 2.88Å; D193-L197 VanDerWaalsContact O-N 3.15Å; L194-L197 PolarHBondContact O-N 3.22Å; R195-L197 VanDerWaalsContact C-N 3.3Å; R195-L197 PolarHBondContact O-N 3.4Å; L197-L200 PolarHBondContact O-N 2.76Å; L197-L201 HydrophobicContact CD1-CD1 3.84Å; L197-L201 HydrophobicContact CD1-CG 4.03Å; L197-L201 HydrophobicContact CD2-CD1 4.44Å; L197-L201 HydrophobicContact CG-CD1 3.83Å; L197-L201 HydrophobicContact CG-CG 4.39Å; L197-L201 WeakPolarHBondContact O-CB 3.45Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 2.88Å; L197-L219 HydrophobicContact CD1-CD1 3.84Å; L197-I226 HydrophobicContact CD1-CD1 4.21Å; L197-I226 HydrophobicContact CD1-CG2 4.38Å; L197-I226 HydrophobicContact CD2-CG2 4.22Å; L197-I228 HydrophobicContact CD2-CD1 4.15Å; L197-I228 HydrophobicContact CD2-CG1 4.24Å
198	L	97.1	Very high	95.7	Very high	25 Å²	25	47.5 Å²	47.5	13%	0.131	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-50.2	177.4	178.8	66.7	0	0	0	111.8	L96 K100 L194 R195 L200 L201 M202	L96-L198 HydrophobicContact CB-CD1 4.22Å; L96-L198 HydrophobicContact CB-CD2 3.71Å; L96-L198 HydrophobicContact CD1-CD2 4.12Å; L96-L198 HydrophobicContact CG-CD2 4.45Å; K100-L198 HydrophobicContact CG-CD1 3.69Å; L194-L198 PolarHBondContact O-N 3.28Å; R195-L198 WeakPolarHBondContact O-CB 3.41Å; R195-L198 PolarHBondContact O-N 3.31Å; R195-L198 VanDerWaalsContact O-N 3.12Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 2.89Å; L198-L201 PolarHBondContact O-N 3.47Å; L198-M202 HydrophobicContact CD1-CG 4.19Å; L198-M202 HydrophobicContact CD1-SD 3.62Å; L198-M202 HydrophobicContact CD2-SD 4.47Å; L198-M202 HydrophobicContact CG-SD 3.82Å; L198-M202 WeakPolarHBondContact O-CB 3.31Å; L198-M202 WeakPolarHBondContact O-CG 3.14Å; L198-M202 PolarHBondContact O-N 2.85Å
199	E	96.5	Very high	95.5	Very high	30 Å²	30	53 Å²	53	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-58.3	-44	179.6	-72	169.5	177.1	0	0	111	R195 W196 L201 M202 G203 D204 I206 N207	R195-E199 VanDerWaalsContact CD-OE1 3.24Å; R195-E199 WeakPolarHBondContact CD-OE1 3.32Å; R195-E199 HydrophobicContact CG-CG 4.25Å; R195-E199 WeakPolarHBondContact CG-OE1 3.5Å; R195-E199 WeakPolarHBondContact O-CG 3.21Å; R195-E199 PolarHBondContact O-N 3.02Å; W196-E199 PolarHBondContact O-N 2.91Å; E199-L201 PolarHBondContact O-N 3.21Å; E199-M202 PolarHBondContact O-N 3.49Å; E199-G203 PolarHBondContact O-N 3.08Å; E199-G203 VanDerWaalsContact O-N 3.07Å; E199-D204 HydrophobicContact CB-CB 4.32Å; E199-D204 PolarHBondContact O-N 2.81Å; E199-I206 HydrophobicContact CB-CG1 4.31Å; E199-I206 WeakPolarHBondContact OE2-CA 3.29Å; E199-N207 PolarHBondContact OE2-N 3.19Å
200	L	95.3	Very high	95.1	Very high	27 Å²	27	53.7 Å²	53.7	14%	0.141	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-44.6	175.4	-85.7	162	0	0	0	113.4	W196 L197 L198 M202 G203 I206 L219	W196-L200 HydrophobicContact CD2-CD1 3.59Å; W196-L200 HydrophobicContact CE3-CD1 4.06Å; W196-L200 HydrophobicContact CG-CD1 4.17Å; W196-L200 HydrophobicContact CH2-CD1 3.73Å; W196-L200 HydrophobicContact CZ2-CD1 3.19Å; W196-L200 HydrophobicContact CZ3-CD1 4.11Å; W196-L200 WeakPolarHBondContact O-CB 3.47Å; W196-L200 PolarHBondContact O-N 2.87Å; L197-L200 PolarHBondContact O-N 2.76Å; L198-L200 VanDerWaalsContact C-N 3.32Å; L198-L200 PolarHBondContact O-N 2.89Å; L200-M202 VanDerWaalsContact C-N 3.29Å; L200-M202 PolarHBondContact O-N 3.33Å; L200-G203 PolarHBondContact O-N 2.96Å; L200-I206 HydrophobicContact CD1-CD1 4.49Å; L200-I206 HydrophobicContact CD2-CD1 3.41Å; L200-I206 VanDerWaalsContact CD2-CD1 3.41Å; L200-I206 HydrophobicContact CD2-CG1 4.39Å; L200-I206 HydrophobicContact CG-CD1 3.64Å; L200-I206 HydrophobicContact CG-CG1 4.19Å; L200-L219 HydrophobicContact CB-CD1 3.95Å; L200-L219 HydrophobicContact CB-CG 4.34Å; L200-L219 HydrophobicContact CD1-CD1 4.01Å; L200-L219 HydrophobicContact CD1-CD2 4.26Å; L200-L219 HydrophobicContact CD1-CG 3.81Å; L200-L219 HydrophobicContact CD2-CG 4.26Å; L200-L219 HydrophobicContact CG-CD1 4.48Å; L200-L219 HydrophobicContact CG-CG 4.4Å
201	L	94.4	Very high	95	Very high	41 Å²	41	52.4 Å²	52.4	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-73.1	-23.8	-178.6	-68	174.4	0	0	0	112.7	K100 L101 L197 L198 E199 L219 P223 I226	K100-L201 HydrophobicContact CB-CB 3.98Å; K100-L201 HydrophobicContact CB-CD1 3.68Å; K100-L201 HydrophobicContact CB-CG 4.48Å; K100-L201 HydrophobicContact CG-CB 4.47Å; L101-L201 HydrophobicContact CD2-CD1 3.64Å; L101-L201 HydrophobicContact CG-CD1 4.49Å; L197-L201 HydrophobicContact CD1-CD1 3.84Å; L197-L201 HydrophobicContact CD1-CG 4.03Å; L197-L201 HydrophobicContact CD2-CD1 4.44Å; L197-L201 HydrophobicContact CG-CD1 3.83Å; L197-L201 HydrophobicContact CG-CG 4.39Å; L197-L201 WeakPolarHBondContact O-CB 3.45Å; L197-L201 VanDerWaalsContact O-CG 3.24Å; L197-L201 WeakPolarHBondContact O-CG 3.41Å; L197-L201 PolarHBondContact O-N 2.88Å; L198-L201 PolarHBondContact O-N 3.47Å; E199-L201 PolarHBondContact O-N 3.21Å; L201-L219 HydrophobicContact CD2-CD1 4.43Å; L201-P223 HydrophobicContact CD2-CB 4.32Å; L201-P223 HydrophobicContact CD2-CG 3.91Å; L201-I226 HydrophobicContact CD2-CD1 4.18Å
202	M	93.8	Very high	94.5	Very high	90 Å²	90	59 Å²	59	44%	0.443	32%	0.315	S	S	.	.	H	α-helix	trans	-86.3	-13.7	174.8	-70.4	-177.5	56.2	0	0	113.1	K100 L198 E199 L200 D204	K100-M202 HydrophobicContact CD-CG 4.45Å; L198-M202 HydrophobicContact CD1-CG 4.19Å; L198-M202 HydrophobicContact CD1-SD 3.62Å; L198-M202 HydrophobicContact CD2-SD 4.47Å; L198-M202 HydrophobicContact CG-SD 3.82Å; L198-M202 WeakPolarHBondContact O-CB 3.31Å; L198-M202 WeakPolarHBondContact O-CG 3.14Å; L198-M202 PolarHBondContact O-N 2.85Å; E199-M202 PolarHBondContact O-N 3.49Å; L200-M202 VanDerWaalsContact C-N 3.29Å; L200-M202 PolarHBondContact O-N 3.33Å; M202-D204 HydrophobicContact CB-CB 4.49Å; M202-D204 WeakPolarHBondContact CE-OD2 3.47Å
203	G	91.6	Very high	94.3	Very high	70 Å²	70	60.6 Å²	60.6	72%	0.722	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.8	20.7	-171.8	0	0	0	0	0	112.9	E199 L200	E199-G203 PolarHBondContact O-N 3.08Å; E199-G203 VanDerWaalsContact O-N 3.07Å; L200-G203 PolarHBondContact O-N 2.96Å
204	D	92.4	Very high	94.1	Very high	84 Å²	84	67.6 Å²	67.6	45%	0.449	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-79.1	163.8	179.5	-73	-26.4	0	0	0	111.6	E199 M202 I206	E199-D204 HydrophobicContact CB-CB 4.32Å; E199-D204 PolarHBondContact O-N 2.81Å; M202-D204 HydrophobicContact CB-CB 4.49Å; M202-D204 WeakPolarHBondContact CE-OD2 3.47Å; D204-I206 PolarHBondContact O-N 3.4Å
205	K	93.2	Very high	94	Very high	199 Å²	199	67.8 Å²	67.8	87%	0.865	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-66.5	118.5	171.7	-176.5	179.9	179.4	179.6	0	110
206	I	93.9	Very high	93.8	Very high	26 Å²	26	65.2 Å²	65.2	13%	0.133	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-74.3	128.4	-177.8	-59.1	160.6	0	0	0	111	E199 L200 D204 T208 L217	E199-I206 HydrophobicContact CB-CG1 4.31Å; E199-I206 WeakPolarHBondContact OE2-CA 3.29Å; L200-I206 HydrophobicContact CD1-CD1 4.49Å; L200-I206 HydrophobicContact CD2-CD1 3.41Å; L200-I206 VanDerWaalsContact CD2-CD1 3.41Å; L200-I206 HydrophobicContact CD2-CG1 4.39Å; L200-I206 HydrophobicContact CG-CD1 3.64Å; L200-I206 HydrophobicContact CG-CG1 4.19Å; D204-I206 PolarHBondContact O-N 3.4Å; I206-T208 HydrophobicContact CG2-CG2 4.35Å; I206-T208 PolarHBondContact O-N 2.97Å; I206-L217 HydrophobicContact CB-CD2 4.39Å; I206-L217 HydrophobicContact CD1-CB 4.28Å; I206-L217 HydrophobicContact CD1-CD2 4.2Å; I206-L217 VanDerWaalsContact CD1-O 3.23Å; I206-L217 WeakPolarHBondContact CD1-O 3.25Å; I206-L217 HydrophobicContact CG2-CD2 4.44Å
207	N	93.5	Very high	93.7	Very high	70 Å²	70	69.1 Å²	69.1	37%	0.374	37%	0.366	S	S	.	.			trans	-85	109.9	171.2	-174.5	-10.1	0	0	0	110.5	E199 N209 F211	E199-N207 PolarHBondContact OE2-N 3.19Å; N207-N209 VanDerWaalsContact OD1-CB 3.28Å; N207-N209 WeakPolarHBondContact OD1-CB 3.31Å; N207-N209 PolarHBondContact OD1-N 3.29Å; N207-F211 WeakPolarHBondContact O-CE2 3.49Å
208	T	93.8	Very high	93.4	Very high	56 Å²	56	72.8 Å²	72.8	34%	0.344	39%	0.385	S	S	.	.			trans	-88.7	4.5	-178.6	60.5	0	0	0	0	114.3	I206 F211 P215 L217	I206-T208 HydrophobicContact CG2-CG2 4.35Å; I206-T208 PolarHBondContact O-N 2.97Å; T208-F211 WeakPolarHBondContact O-CD2 3.28Å; T208-P215 HydrophobicContact CG2-CG 4.08Å; T208-L217 HydrophobicContact CG2-CD2 3.76Å
209	N	93.5	Very high	93.1	Very high	117 Å²	117	73.3 Å²	73.3	63%	0.626	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	139.4	179.7	-66.1	-19.8	0	0	0	111.2	N207	N207-N209 VanDerWaalsContact OD1-CB 3.28Å; N207-N209 WeakPolarHBondContact OD1-CB 3.31Å; N207-N209 PolarHBondContact OD1-N 3.29Å
210	G	88.4	Confident	93.1	Very high	64 Å²	64	72.4 Å²	72.4	66%	0.66	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	0.3	177.2	0	0	0	0	0	115.6
211	F	93.4	Very high	93.1	Very high	24 Å²	24	71.6 Å²	71.6	11%	0.105	38%	0.379	C	S	.	.			trans	-89.2	141.6	169.6	-61.3	-89	0	0	0	110.2	P168 E169 H192 W196 N207 T208 K213 P215	P168-F211 HydrophobicContact CB-CD1 4.12Å; P168-F211 HydrophobicContact CB-CE1 3.74Å; P168-F211 HydrophobicContact CG-CE1 3.9Å; E169-F211 HydrophobicContact CG-CB 4.1Å; E169-F211 HydrophobicContact CG-CD1 4.2Å; E169-F211 VanDerWaalsContact OE1-CD1 3.31Å; E169-F211 WeakPolarHBondContact OE1-CD1 3.16Å; H192-F211 HydrophobicContact CB-CE1 4.47Å; H192-F211 HydrophobicContact CB-CE2 4.45Å; H192-F211 HydrophobicContact CB-CZ 3.97Å; W196-F211 HydrophobicContact CB-CE1 4.48Å; W196-F211 HydrophobicContact CB-CZ 3.84Å; W196-F211 HydrophobicContact CG-CZ 4.32Å; N207-F211 WeakPolarHBondContact O-CE2 3.49Å; T208-F211 WeakPolarHBondContact O-CD2 3.28Å; F211-K213 VanDerWaalsContact CB-O 3.25Å; F211-K213 WeakPolarHBondContact CB-O 3.29Å; F211-K213 PolarHBondContact O-N 2.98Å; F211-P215 HydrophobicContact CB-CG 4.45Å; F211-P215 HydrophobicContact CD1-CB 4.22Å; F211-P215 HydrophobicContact CD1-CG 4.27Å; F211-P215 HydrophobicContact CD2-CG 3.88Å; F211-P215 HydrophobicContact CE2-CG 4.18Å; F211-P215 HydrophobicContact CG-CB 4.32Å; F211-P215 HydrophobicContact CG-CG 3.93Å
212	W	88.2	Confident	93.1	Very high	178 Å²	178	75.3 Å²	75.3	67%	0.674	39%	0.393	S	S	*	.	S	Bend	trans	-75.4	-17.4	-178.1	63	-89.1	0	0	0	112.7	Y167 E169	Y167-W212 AromaticContact CE2-CZ2 3.9Å; Y167-W212 HydrophobicContact CE2-CZ2 3.9Å; Y167-W212 AromaticContact CE2-NE1 3.88Å; E169-W212 HydrophobicContact CB-CZ2 3.69Å; E169-W212 VanDerWaalsContact CD-NE1 3.32Å; E169-W212 HydrophobicContact CG-CZ2 4.36Å; E169-W212 PolarHBondContact OE1-NE1 3.48Å; E169-W212 VanDerWaalsContact OE1-NE1 3.15Å
213	K	91.5	Very high	93.2	Very high	105 Å²	105	72.8 Å²	72.8	46%	0.457	38%	0.384	S	S	.	.	S	Bend	trans	-141.4	149.8	171.9	172.4	-174.2	173.6	-164	0	107.2	E169 F211 P215	E169-K213 HydrophobicContact CB-CB 4.16Å; E169-K213 HydrophobicContact CG-CB 4.16Å; E169-K213 WeakPolarHBondContact CG-O 3.31Å; F211-K213 VanDerWaalsContact CB-O 3.25Å; F211-K213 WeakPolarHBondContact CB-O 3.29Å; F211-K213 PolarHBondContact O-N 2.98Å; K213-P215 WeakPolarHBondContact O-CD 3.31Å; K213-P215 VanDerWaalsContact O-N 3.11Å
214	K	93.6	Very high	93.3	Very high	146 Å²	146	74.8 Å²	74.8	64%	0.635	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-53.6	119.4	175.9	-173	178.1	-180	-178.6	0	109.6
215	P	96.1	Very high	93.5	Very high	4 Å²	4	71 Å²	71	3%	0.026	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-73.2	166.5	178.3	33.5	-36.7	0	0	0	110.2	P168 T208 F211 K213 L217	P168-P215 HydrophobicContact CB-CB 3.8Å; T208-P215 HydrophobicContact CG2-CG 4.08Å; F211-P215 HydrophobicContact CB-CG 4.45Å; F211-P215 HydrophobicContact CD1-CB 4.22Å; F211-P215 HydrophobicContact CD1-CG 4.27Å; F211-P215 HydrophobicContact CD2-CG 3.88Å; F211-P215 HydrophobicContact CE2-CG 4.18Å; F211-P215 HydrophobicContact CG-CB 4.32Å; F211-P215 HydrophobicContact CG-CG 3.93Å; K213-P215 WeakPolarHBondContact O-CD 3.31Å; K213-P215 VanDerWaalsContact O-N 3.11Å; P215-L217 PolarHBondContact O-N 2.86Å
216	A	94.3	Very high	93.7	Very high	12 Å²	12	61.5 Å²	61.5	10%	0.099	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-61	139.7	173.8	0	0	0	0	0	110.8	P168 V171 W196	P168-A216 PolarHBondContact O-N 3.25Å; V171-A216 HydrophobicContact CG1-CB 3.44Å; V171-A216 VanDerWaalsContact CG1-CB 3.44Å; W196-A216 HydrophobicContact CZ2-CB 4.25Å; W196-A216 PolarHBondContact NE1-O 3.38Å
217	L	95	Very high	93.9	Very high	84 Å²	84	61.1 Å²	61.1	44%	0.44	31%	0.305	S	S	.	.	S	Bend	trans	-97.1	-3.3	-179.9	-61.1	-175.3	0	0	0	113.2	I206 T208 P215	I206-L217 HydrophobicContact CB-CD2 4.39Å; I206-L217 HydrophobicContact CD1-CB 4.28Å; I206-L217 HydrophobicContact CD1-CD2 4.2Å; I206-L217 VanDerWaalsContact CD1-O 3.23Å; I206-L217 WeakPolarHBondContact CD1-O 3.25Å; I206-L217 HydrophobicContact CG2-CD2 4.44Å; T208-L217 HydrophobicContact CG2-CD2 3.76Å; P215-L217 PolarHBondContact O-N 2.86Å
218	N	91.9	Very high	94.1	Very high	77 Å²	77	57.8 Å²	57.8	41%	0.412	29%	0.288	S	S	.	.	S	Bend	trans	-147	151.1	177.6	62.6	-66.6	0	0	0	108.3	S173	S173-N218 PolarHBondContact O-ND2 2.96Å; S173-N218 VanDerWaalsContact O-ND2 3.15Å
219	L	91.7	Very high	94.4	Very high	35 Å²	35	55.3 Å²	55.3	18%	0.183	27%	0.272	C	S	.	.			trans	-103.9	132.2	170.5	-73.2	171	0	0	0	109.5	V171 W196 L197 L200 L201 Y221 I226	V171-L219 HydrophobicContact CG2-CD2 4.41Å; W196-L219 HydrophobicContact CH2-CD2 3.79Å; W196-L219 HydrophobicContact CZ2-CD2 4.28Å; L197-L219 HydrophobicContact CD1-CD1 3.84Å; L200-L219 HydrophobicContact CB-CD1 3.95Å; L200-L219 HydrophobicContact CB-CG 4.34Å; L200-L219 HydrophobicContact CD1-CD1 4.01Å; L200-L219 HydrophobicContact CD1-CD2 4.26Å; L200-L219 HydrophobicContact CD1-CG 3.81Å; L200-L219 HydrophobicContact CD2-CG 4.26Å; L200-L219 HydrophobicContact CG-CD1 4.48Å; L200-L219 HydrophobicContact CG-CG 4.4Å; L201-L219 HydrophobicContact CD2-CD1 4.43Å; L219-Y221 VanDerWaalsContact C-N 3.29Å; L219-I226 HydrophobicContact CD1-CD1 3.95Å
220	I	95.1	Very high	94.6	Very high	12 Å²	12	49.8 Å²	49.8	6%	0.062	24%	0.243	C	C	.	.	S	Bend	trans	-81.2	-15.4	169.4	66.6	178.8	0	0	0	111.8	F172 S173 D174 P175 H177 N178	F172-I220 HydrophobicContact CB-CD1 3.73Å; S173-I220 VanDerWaalsContact O-CG2 3.3Å; S173-I220 WeakPolarHBondContact O-CG2 3.16Å; D174-I220 WeakPolarHBondContact O-CD1 3.42Å; P175-I220 HydrophobicContact CG-CG2 4.48Å; H177-I220 HydrophobicContact CB-CD1 4.26Å; N178-I220 HydrophobicContact CB-CB 4.41Å; N178-I220 HydrophobicContact CB-CD1 4.27Å; N178-I220 PolarHBondContact ND2-O 3.15Å
221	Y	96	Very high	95.1	Very high	10 Å²	10	46.8 Å²	46.8	4%	0.039	21%	0.212	C	C	.	.	S	Bend	trans	-93.6	145	-177.7	-52.2	-74	0	0	0	112	V171 V184 L219	V171-Y221 HydrophobicContact CG2-CD2 4.25Å; V171-Y221 HydrophobicContact CG2-CE2 3.75Å; V184-Y221 HydrophobicContact CB-CD1 4.48Å; V184-Y221 HydrophobicContact CB-CD2 4.38Å; V184-Y221 HydrophobicContact CB-CG 4.34Å; V184-Y221 HydrophobicContact CG1-CD1 3.5Å; V184-Y221 VanDerWaalsContact CG1-CD1 3.5Å; V184-Y221 HydrophobicContact CG1-CD2 3.87Å; V184-Y221 HydrophobicContact CG1-CE1 3.33Å; V184-Y221 HydrophobicContact CG1-CE2 3.74Å; V184-Y221 HydrophobicContact CG1-CG 3.75Å; V184-Y221 VanDerWaalsContact CG1-CZ 3.46Å; V184-Y221 HydrophobicContact CG2-CD1 4.15Å; V184-Y221 HydrophobicContact CG2-CD2 3.88Å; V184-Y221 HydrophobicContact CG2-CG 3.67Å; L219-Y221 VanDerWaalsContact C-N 3.29Å
222	K	95	Very high	95.3	Very high	118 Å²	118	45.8 Å²	45.8	51%	0.513	21%	0.208	S	C	.	.			trans	-84.2	156.3	176.5	-59.1	-57.8	-176.2	-177.7	0	111.7	Y224 Q225	K222-Y224 HydrophobicContact CB-CD1 3.6Å; K222-Y224 HydrophobicContact CB-CE1 3.27Å; K222-Y224 HydrophobicContact CB-CG 4.47Å; K222-Y224 HydrophobicContact CG-CE1 3.74Å; K222-Y224 PolarHBondContact O-N 2.82Å; K222-Y224 VanDerWaalsContact O-N 3.07Å; K222-Q225 WeakPolarHBondContact O-CB 3.38Å; K222-Q225 PolarHBondContact O-N 2.96Å
223	P	95.2	Very high	95.7	Very high	37 Å²	37	37.3 Å²	37.3	24%	0.24	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-57.5	-26.5	-177.7	-26.2	35.2	0	0	0	115.2	Q102 L201 Q225	Q102-P223 HydrophobicContact CG-CB 3.77Å; L201-P223 HydrophobicContact CD2-CB 4.32Å; L201-P223 HydrophobicContact CD2-CG 3.91Å; P223-Q225 VanDerWaalsContact C-N 3.34Å
224	Y	93.6	Very high	96.1	Very high	113 Å²	113	32.4 Å²	32.4	44%	0.443	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-75.1	-20.5	175.4	68.6	-97.8	0	0	0	113.6	K222 R227	K222-Y224 HydrophobicContact CB-CD1 3.6Å; K222-Y224 HydrophobicContact CB-CE1 3.27Å; K222-Y224 HydrophobicContact CB-CG 4.47Å; K222-Y224 HydrophobicContact CG-CE1 3.74Å; K222-Y224 PolarHBondContact O-N 2.82Å; K222-Y224 VanDerWaalsContact O-N 3.07Å; Y224-R227 PolarHBondContact O-NH1 3.4Å; Y224-R227 PolarHBondContact O-NH2 2.96Å
225	Q	96.1	Very high	96.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.019	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-84.8	-13	176.6	-61.2	178.7	-91.6	0	0	112.5	D179 P180 T182 T183 V184 K222 P223	D179-Q225 PolarHBondContact O-NE2 3.16Å; P180-Q225 PolarHBondContact O-NE2 3.05Å; T182-Q225 PolarHBondContact O-NE2 3.26Å; T183-Q225 CarbonylContact C-O 3.48Å; T183-Q225 WeakPolarHBondContact CA-O 3.43Å; V184-Q225 PolarHBondContact N-O 2.82Å; K222-Q225 WeakPolarHBondContact O-CB 3.38Å; K222-Q225 PolarHBondContact O-N 2.96Å; P223-Q225 VanDerWaalsContact C-N 3.34Å
226	I	98	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	132.1	-172.2	-56.8	167.5	0	0	0	109.8	L101 V184 L197 L201 L219	L101-I226 HydrophobicContact CD1-CG2 4.19Å; L101-I226 HydrophobicContact CD2-CB 3.77Å; L101-I226 HydrophobicContact CD2-CD1 4.47Å; L101-I226 HydrophobicContact CD2-CG2 3.81Å; V184-I226 HydrophobicContact CG2-CB 4.31Å; V184-I226 HydrophobicContact CG2-CG1 3.7Å; V184-I226 CarbonylContact O-C 3.59Å; V184-I226 WeakPolarHBondContact O-CA 3.27Å; L197-I226 HydrophobicContact CD1-CD1 4.21Å; L197-I226 HydrophobicContact CD1-CG2 4.38Å; L197-I226 HydrophobicContact CD2-CG2 4.22Å; L201-I226 HydrophobicContact CD2-CD1 4.18Å; L219-I226 HydrophobicContact CD1-CD1 3.95Å
227	R	98.1	Very high	96.5	Very high	17 Å²	17	25.4 Å²	25.4	6%	0.064	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	152.5	169.8	-60.2	-68.1	178	-79.8	-11.8	109.4	F63 S103 C104 D105 T183 V184 I185 L186 Y224	F63-R227 HydrophobicContact CB-CB 4.29Å; F63-R227 HydrophobicContact CD1-CB 3.97Å; F63-R227 HydrophobicContact CD2-CB 4.02Å; F63-R227 HydrophobicContact CD2-CG 3.71Å; F63-R227 HydrophobicContact CE1-CB 4.34Å; F63-R227 HydrophobicContact CE2-CB 4.33Å; F63-R227 HydrophobicContact CE2-CG 3.93Å; F63-R227 HydrophobicContact CG-CB 3.83Å; F63-R227 HydrophobicContact CG-CG 4.05Å; F63-R227 HydrophobicContact CZ-CG 4.49Å; S103-R227 VanDerWaalsContact CB-CZ 3.47Å; S103-R227 WeakPolarHBondContact O-CD 3.35Å; S103-R227 PolarHBondContact O-NE 2.93Å; S103-R227 PolarHBondContact O-NH1 2.81Å; S103-R227 PolarHBondContact OG-NH2 3.47Å; C104-R227 VanDerWaalsContact CA-CD 3.47Å; D105-R227 PolarHBondContact O-NE 2.92Å; T183-R227 HydrophobicContact CG2-CB 4.46Å; T183-R227 HydrophobicContact CG2-CG 3.53Å; V184-R227 PolarHBondContact O-N 2.8Å; I185-R227 CarbonylContact C-O 3.5Å; I185-R227 WeakPolarHBondContact CA-O 3.32Å; I185-R227 HydrophobicContact CG1-CB 4.35Å; L186-R227 PolarHBondContact N-O 3.45Å; Y224-R227 PolarHBondContact O-NH1 3.4Å; Y224-R227 PolarHBondContact O-NH2 2.96Å
228	I	98.7	Very high	96.6	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.2	169.2	-64.7	168.6	0	0	0	108	F63 L64 F94 A97 L98 L101 L186 L194 L197	F63-I228 WeakPolarHBondContact CA-O 3.24Å; L64-I228 HydrophobicContact CD1-CG2 4.14Å; L64-I228 PolarHBondContact N-O 3.31Å; F94-I228 HydrophobicContact CD1-CG2 4Å; F94-I228 HydrophobicContact CE1-CG2 3.66Å; A97-I228 HydrophobicContact CB-CD1 3.87Å; L98-I228 HydrophobicContact CD2-CB 4.32Å; L98-I228 HydrophobicContact CD2-CD1 3.78Å; L98-I228 HydrophobicContact CD2-CG1 4.41Å; L98-I228 HydrophobicContact CG-CD1 3.99Å; L101-I228 HydrophobicContact CD1-CD1 3.82Å; L101-I228 HydrophobicContact CD1-CG1 3.83Å; L186-I228 HydrophobicContact CB-CG1 4.39Å; L186-I228 HydrophobicContact CD2-CG1 4.36Å; L194-I228 HydrophobicContact CD2-CD1 4.03Å; L194-I228 HydrophobicContact CD2-CG2 4.32Å; L197-I228 HydrophobicContact CD2-CD1 4.15Å; L197-I228 HydrophobicContact CD2-CG1 4.24Å
229	L	98.7	Very high	96.7	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.016	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-66.2	135.8	176.6	-167.6	67.9	0	0	0	110.2	P62 F63 L165 I185 L186 T187 P231 I233 I234 I262 L266	P62-L229 HydrophobicContact CB-CD1 4.35Å; F63-L229 HydrophobicContact CD1-CD1 4.45Å; F63-L229 HydrophobicContact CE1-CD1 4.3Å; L165-L229 HydrophobicContact CD2-CD2 4.46Å; I185-L229 HydrophobicContact CG2-CB 3.69Å; I185-L229 HydrophobicContact CG2-CD1 4.09Å; I185-L229 HydrophobicContact CG2-CG 4.4Å; L186-L229 PolarHBondContact O-N 2.78Å; T187-L229 HydrophobicContact CG2-CD2 4.19Å; L229-P231 WeakPolarHBondContact O-CD 3.45Å; L229-I233 HydrophobicContact CD1-CB 4.25Å; L229-I233 HydrophobicContact CD1-CG1 3.99Å; L229-I233 HydrophobicContact CD1-CG2 4.36Å; L229-I233 HydrophobicContact CD2-CB 4.14Å; L229-I233 HydrophobicContact CD2-CG2 4.09Å; L229-I233 HydrophobicContact CG-CB 4.15Å; L229-I233 HydrophobicContact CG-CG1 4.29Å; L229-I233 HydrophobicContact CG-CG2 4.49Å; L229-I234 HydrophobicContact CD2-CG1 4.2Å; L229-I262 HydrophobicContact CD2-CG2 3.5Å; L229-L266 HydrophobicContact CD1-CD1 4.11Å
230	D	98.2	Very high	96.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	9%	0.091	C	C	.	.			trans	-65.9	125.2	169.9	-167.2	-44.1	0	0	0	109.8	F60 P62 L64 F232 I233	F60-D230 HydrophobicContact CE1-CB 4.08Å; F60-D230 HydrophobicContact CZ-CB 3.65Å; P62-D230 PolarHBondContact O-N 2.78Å; L64-D230 HydrophobicContact CD2-CB 3.74Å; L64-D230 WeakPolarHBondContact CD2-OD2 3.49Å; L64-D230 HydrophobicContact CG-CB 4.2Å; D230-F232 PolarHBondContact O-N 3.13Å; D230-F232 VanDerWaalsContact OD1-CB 3.24Å; D230-F232 WeakPolarHBondContact OD1-CB 3.4Å; D230-F232 PolarHBondContact OD1-N 3.33Å; D230-I233 WeakPolarHBondContact O-CB 3.33Å; D230-I233 PolarHBondContact O-N 3.12Å
231	P	98.4	Very high	97	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.013	9%	0.091	C	C	.	.	H	α-helix	trans	-53.5	-19.4	175.2	-28.8	37	0	0	0	114.8	L83 F94 L229 I233 I234 R235	L83-P231 HydrophobicContact CD2-CG 4.01Å; F94-P231 HydrophobicContact CE1-CG 4.37Å; F94-P231 HydrophobicContact CE2-CG 4.35Å; F94-P231 HydrophobicContact CZ-CG 3.62Å; L229-P231 WeakPolarHBondContact O-CD 3.45Å; P231-I233 PolarHBondContact O-N 3.25Å; P231-I234 PolarHBondContact O-N 3.43Å; P231-I234 VanDerWaalsContact O-N 3.16Å; P231-R235 PolarHBondContact O-N 3.34Å
232	F	97.4	Very high	97	Very high	3 Å²	3	20.6 Å²	20.6	1%	0.013	9%	0.092	C	C	.	.	H	α-helix	trans	-53.6	-39.8	171	178.9	-115.6	0	0	0	112.4	F57 F60 D230 I234 R235 T236 Y269	F57-F232 HydrophobicContact CD2-CE1 4.13Å; F57-F232 HydrophobicContact CD2-CE2 4.32Å; F57-F232 AromaticContact CD2-CZ 3.54Å; F57-F232 HydrophobicContact CD2-CZ 3.54Å; F57-F232 HydrophobicContact CE2-CE2 4.29Å; F57-F232 AromaticContact CE2-CZ 3.96Å; F57-F232 HydrophobicContact CE2-CZ 3.96Å; F60-F232 AromaticContact CD1-CD1 3.99Å; F60-F232 HydrophobicContact CD1-CD1 3.99Å; F60-F232 HydrophobicContact CD1-CE1 4.44Å; F60-F232 AromaticContact CD2-CD1 3.9Å; F60-F232 HydrophobicContact CD2-CD1 3.9Å; F60-F232 HydrophobicContact CD2-CE1 4.23Å; F60-F232 HydrophobicContact CE1-CB 4.45Å; F60-F232 AromaticContact CE1-CD1 3.69Å; F60-F232 HydrophobicContact CE1-CD1 3.69Å; F60-F232 HydrophobicContact CE2-CB 4.36Å; F60-F232 AromaticContact CE2-CD1 3.61Å; F60-F232 HydrophobicContact CE2-CD1 3.61Å; F60-F232 HydrophobicContact CE2-CE1 4.37Å; F60-F232 HydrophobicContact CE2-CG 4.26Å; F60-F232 HydrophobicContact CG-CD1 4.08Å; F60-F232 HydrophobicContact CG-CE1 4.27Å; F60-F232 HydrophobicContact CZ-CB 3.85Å; F60-F232 AromaticContact CZ-CD1 3.51Å; F60-F232 HydrophobicContact CZ-CD1 3.51Å; F60-F232 HydrophobicContact CZ-CG 4.08Å; D230-F232 PolarHBondContact O-N 3.13Å; D230-F232 VanDerWaalsContact OD1-CB 3.24Å; D230-F232 WeakPolarHBondContact OD1-CB 3.4Å; D230-F232 PolarHBondContact OD1-N 3.33Å; F232-I234 PolarHBondContact O-N 2.88Å; F232-R235 VanDerWaalsContact CD2-NH2 3.31Å; F232-R235 WeakPolarHBondContact O-CB 3.41Å; F232-R235 PolarHBondContact O-N 3.07Å; F232-T236 WeakPolarHBondContact CZ-OG1 3.44Å; F232-T236 PolarHBondContact O-N 2.94Å; F232-T236 PolarHBondContact O-OG1 2.95Å; F232-Y269 HydrophobicContact CE1-CE1 4.29Å; F232-Y269 AromaticContact CE1-CZ 3.85Å; F232-Y269 VanDerWaalsContact CE1-OH 3.23Å; F232-Y269 WeakPolarHBondContact CE1-OH 3.16Å
233	I	98.1	Very high	97	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.6	-45	177.6	-60.9	-62.7	0	0	0	110.8	F60 P62 L229 D230 P231 R235 T236 A237 I262 T265 L266 Y269	F60-I233 HydrophobicContact CD1-CD1 3.72Å; F60-I233 HydrophobicContact CE1-CD1 3.56Å; F60-I233 HydrophobicContact CE1-CG1 3.88Å; P62-I233 HydrophobicContact CB-CD1 4.33Å; P62-I233 HydrophobicContact CB-CG1 4.32Å; L229-I233 HydrophobicContact CD1-CB 4.25Å; L229-I233 HydrophobicContact CD1-CG1 3.99Å; L229-I233 HydrophobicContact CD1-CG2 4.36Å; L229-I233 HydrophobicContact CD2-CB 4.14Å; L229-I233 HydrophobicContact CD2-CG2 4.09Å; L229-I233 HydrophobicContact CG-CB 4.15Å; L229-I233 HydrophobicContact CG-CG1 4.29Å; L229-I233 HydrophobicContact CG-CG2 4.49Å; D230-I233 WeakPolarHBondContact O-CB 3.33Å; D230-I233 PolarHBondContact O-N 3.12Å; P231-I233 PolarHBondContact O-N 3.25Å; I233-R235 VanDerWaalsContact C-N 3.29Å; I233-R235 PolarHBondContact O-N 3.15Å; I233-T236 PolarHBondContact O-N 3.18Å; I233-A237 WeakPolarHBondContact O-CB 3.24Å; I233-A237 PolarHBondContact O-N 3.18Å; I233-I262 HydrophobicContact CG2-CG2 4.2Å; I233-T265 HydrophobicContact CG2-CG2 3.88Å; I233-L266 HydrophobicContact CG2-CB 4.44Å; I233-Y269 HydrophobicContact CD1-CD2 3.29Å; I233-Y269 HydrophobicContact CD1-CE2 3.57Å; I233-Y269 HydrophobicContact CD1-CG 3.99Å
234	I	98.3	Very high	97	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-66	-37.2	178.4	-49.7	177.5	0	0	0	110.3	P84 Y85 T187 L229 P231 F232 A237 A238 I262	P84-I234 HydrophobicContact CB-CD1 4.37Å; P84-I234 HydrophobicContact CB-CG2 4.2Å; P84-I234 WeakPolarHBondContact O-CB 3.45Å; Y85-I234 HydrophobicContact CD1-CG2 4.23Å; Y85-I234 HydrophobicContact CE1-CG2 4.2Å; T187-I234 HydrophobicContact CG2-CD1 3.58Å; T187-I234 HydrophobicContact CG2-CG1 4.22Å; L229-I234 HydrophobicContact CD2-CG1 4.2Å; P231-I234 PolarHBondContact O-N 3.43Å; P231-I234 VanDerWaalsContact O-N 3.16Å; F232-I234 PolarHBondContact O-N 2.88Å; I234-A237 WeakPolarHBondContact O-CB 3.5Å; I234-A237 PolarHBondContact O-N 3.21Å; I234-A238 WeakPolarHBondContact O-CB 3.38Å; I234-A238 PolarHBondContact O-N 3.19Å; I234-I262 HydrophobicContact CD1-CD1 4.5Å; I234-I262 HydrophobicContact CG1-CD1 4.11Å; I234-I262 HydrophobicContact CG1-CG1 4.44Å; I234-I262 HydrophobicContact CG1-CG2 4.15Å; I234-I262 HydrophobicContact CG2-CD1 3.96Å; I234-I262 HydrophobicContact CG2-CG1 4.37Å
235	R	96.9	Very high	96.9	Very high	15 Å²	15	18.7 Å²	18.7	6%	0.057	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-44.6	175.8	-176.2	171.8	59.5	-144.1	5.2	112.5	Y76 G77 S78 Y85 P231 F232 I233 A238 Y239	Y76-R235 PolarHBondContact O-NH2 3.03Å; G77-R235 PolarHBondContact O-NH1 3.41Å; G77-R235 VanDerWaalsContact O-NH1 3.16Å; S78-R235 VanDerWaalsContact CA-NH1 3.34Å; S78-R235 PolarHBondContact OG-NH2 2.8Å; S78-R235 VanDerWaalsContact OG-NH2 3.13Å; Y85-R235 HydrophobicContact CD1-CB 4.29Å; Y85-R235 PolarHBondContact O-NH1 2.67Å; P231-R235 PolarHBondContact O-N 3.34Å; F232-R235 VanDerWaalsContact CD2-NH2 3.31Å; F232-R235 WeakPolarHBondContact O-CB 3.41Å; F232-R235 PolarHBondContact O-N 3.07Å; I233-R235 VanDerWaalsContact C-N 3.29Å; I233-R235 PolarHBondContact O-N 3.15Å; R235-A238 PolarHBondContact O-N 3.37Å; R235-Y239 HydrophobicContact CG-CD2 3.48Å; R235-Y239 VanDerWaalsContact CG-CD2 3.48Å; R235-Y239 HydrophobicContact CG-CE2 3.81Å; R235-Y239 HydrophobicContact CG-CG 4.46Å; R235-Y239 PolarHBondContact O-N 2.94Å
236	T	97.1	Very high	96.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.121	C	C	.	.	I	π-helix	trans	-58.3	-49.2	173.4	-75	0	0	0	0	110.1	F232 I233 A238 E240 L241 T265 Y269	F232-T236 WeakPolarHBondContact CZ-OG1 3.44Å; F232-T236 PolarHBondContact O-N 2.94Å; F232-T236 PolarHBondContact O-OG1 2.95Å; I233-T236 PolarHBondContact O-N 3.18Å; T236-A238 VanDerWaalsContact C-N 3.31Å; T236-A238 PolarHBondContact O-N 2.66Å; T236-E240 VanDerWaalsContact CB-OE2 3.27Å; T236-E240 WeakPolarHBondContact CB-OE2 3.16Å; T236-E240 HydrophobicContact CG2-CB 4.23Å; T236-E240 WeakPolarHBondContact CG2-OE2 3.4Å; T236-E240 WeakPolarHBondContact O-CA 3.17Å; T236-E240 WeakPolarHBondContact O-CB 3.32Å; T236-E240 PolarHBondContact O-N 2.81Å; T236-E240 PolarHBondContact OG1-OE2 2.61Å; T236-L241 HydrophobicContact CG2-CG 4.26Å; T236-L241 PolarHBondContact O-N 3.14Å; T236-T265 HydrophobicContact CG2-CG2 3.62Å; T236-Y269 HydrophobicContact CG2-CE2 4.19Å; T236-Y269 PolarHBondContact OG1-OH 3.42Å
237	A	98.1	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	I	π-helix	trans	-53.3	-48.7	175.8	0	0	0	0	0	111.7	I233 I234 L242 P257 I261 I262 T265	I233-A237 WeakPolarHBondContact O-CB 3.24Å; I233-A237 PolarHBondContact O-N 3.18Å; I234-A237 WeakPolarHBondContact O-CB 3.5Å; I234-A237 PolarHBondContact O-N 3.21Å; A237-L242 WeakPolarHBondContact O-CB 3.42Å; A237-L242 VanDerWaalsContact O-CG 3.26Å; A237-L242 WeakPolarHBondContact O-CG 3.26Å; A237-L242 PolarHBondContact O-N 2.82Å; A237-P257 HydrophobicContact CB-CB 4.02Å; A237-P257 HydrophobicContact CB-CG 3.78Å; A237-I261 HydrophobicContact CB-CG2 4.16Å; A237-I262 HydrophobicContact CB-CG1 4.49Å; A237-T265 HydrophobicContact CB-CG2 4.43Å; A237-T265 WeakPolarHBondContact CB-OG1 3.43Å
238	A	97.1	Very high	95.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	I	π-helix	trans	-70.6	-51.4	-176.7	0	0	0	0	0	113.7	Y85 I234 R235 T236 H243 F244 P257	Y85-A238 HydrophobicContact CD1-CB 4.26Å; Y85-A238 HydrophobicContact CE1-CB 3.5Å; Y85-A238 VanDerWaalsContact CE1-CB 3.5Å; I234-A238 WeakPolarHBondContact O-CB 3.38Å; I234-A238 PolarHBondContact O-N 3.19Å; R235-A238 PolarHBondContact O-N 3.37Å; T236-A238 VanDerWaalsContact C-N 3.31Å; T236-A238 PolarHBondContact O-N 2.66Å; A238-H243 PolarHBondContact O-N 3.26Å; A238-F244 HydrophobicContact CB-CD2 4.29Å; A238-F244 WeakPolarHBondContact O-CB 3.38Å; A238-F244 PolarHBondContact O-N 3.23Å; A238-P257 HydrophobicContact CB-CG 3.68Å
239	Y	95.5	Very high	95	Very high	37 Å²	37	35.3 Å²	35.3	15%	0.145	18%	0.18	C	C	.	.	I	π-helix	trans	-97.7	-32.5	-167.3	-60.3	-28.8	0	0	0	113.6	F81 Y85 R235 H243 F244 K246	F81-Y239 HydrophobicContact CD1-CE2 4.39Å; F81-Y239 HydrophobicContact CE1-CE2 4.03Å; Y85-Y239 HydrophobicContact CD2-CE2 4.45Å; Y85-Y239 AromaticContact CD2-CZ 3.96Å; Y85-Y239 VanDerWaalsContact CD2-OH 3.24Å; Y85-Y239 WeakPolarHBondContact CD2-OH 3.4Å; Y85-Y239 HydrophobicContact CE2-CE1 4.48Å; Y85-Y239 WeakPolarHBondContact CE2-OH 3.33Å; Y85-Y239 HydrophobicContact CG-CE2 4.36Å; R235-Y239 HydrophobicContact CG-CD2 3.48Å; R235-Y239 VanDerWaalsContact CG-CD2 3.48Å; R235-Y239 HydrophobicContact CG-CE2 3.81Å; R235-Y239 HydrophobicContact CG-CG 4.46Å; R235-Y239 PolarHBondContact O-N 2.94Å; Y239-H243 PolarHBondContact O-ND1 2.83Å; Y239-F244 WeakPolarHBondContact CD1-O 3.37Å; Y239-K246 HydrophobicContact CD1-CG 4.27Å; Y239-K246 HydrophobicContact CD2-CG 4.48Å; Y239-K246 HydrophobicContact CE1-CG 3.94Å; Y239-K246 HydrophobicContact CE2-CG 4.17Å
240	E	94.8	Very high	94.3	Very high	58 Å²	58	45.9 Å²	45.9	27%	0.271	23%	0.226	S	C	.	.	I	π-helix	trans	-94.7	-38.7	-174.8	-61	172.5	166.5	0	0	111.3	T236 H243	T236-E240 VanDerWaalsContact CB-OE2 3.27Å; T236-E240 WeakPolarHBondContact CB-OE2 3.16Å; T236-E240 HydrophobicContact CG2-CB 4.23Å; T236-E240 WeakPolarHBondContact CG2-OE2 3.4Å; T236-E240 WeakPolarHBondContact O-CA 3.17Å; T236-E240 WeakPolarHBondContact O-CB 3.32Å; T236-E240 PolarHBondContact O-N 2.81Å; T236-E240 PolarHBondContact OG1-OE2 2.61Å; E240-H243 PolarHBondContact O-CE1 3.43Å; E240-H243 PolarHBondContact O-ND1 3.39Å
241	L	97.1	Very high	93.8	Very high	9 Å²	9	52.6 Å²	52.6	5%	0.047	26%	0.262	C	S	.	.	I	π-helix	trans	-93.2	-48.3	-178.9	-55.3	-174.4	0	0	0	113	L54 T236 T265 F268 F315	L54-L241 HydrophobicContact CB-CD2 3.87Å; L54-L241 HydrophobicContact CD1-CD2 4.44Å; T236-L241 HydrophobicContact CG2-CG 4.26Å; T236-L241 PolarHBondContact O-N 3.14Å; L241-T265 HydrophobicContact CD1-CG2 4.1Å; L241-T265 VanDerWaalsContact CD1-OG1 3.32Å; L241-T265 WeakPolarHBondContact CD1-OG1 3.47Å; L241-F268 HydrophobicContact CD1-CD2 4.38Å; L241-F268 HydrophobicContact CD1-CE2 4.34Å; L241-F315 HydrophobicContact CB-CD2 4.26Å; L241-F315 HydrophobicContact CB-CE2 3.79Å; L241-F315 HydrophobicContact CB-CZ 3.98Å; L241-F315 HydrophobicContact CD1-CE2 4.42Å; L241-F315 HydrophobicContact CD1-CZ 3.88Å; L241-F315 HydrophobicContact CD2-CE2 4.21Å; L241-F315 HydrophobicContact CD2-CZ 4.39Å; L241-F315 HydrophobicContact CG-CE2 4.36Å; L241-F315 HydrophobicContact CG-CZ 4.31Å
242	L	97.1	Very high	93	Very high	13 Å²	13	57.7 Å²	57.7	7%	0.068	29%	0.286	C	S	.	.	S	Bend	trans	-93.3	-7.3	-177.3	-61.8	178.9	0	0	0	113.9	A237 F244 P257 I261 E312 F315	A237-L242 WeakPolarHBondContact O-CB 3.42Å; A237-L242 VanDerWaalsContact O-CG 3.26Å; A237-L242 WeakPolarHBondContact O-CG 3.26Å; A237-L242 PolarHBondContact O-N 2.82Å; L242-F244 HydrophobicContact CB-CD1 3.75Å; L242-F244 HydrophobicContact CB-CE1 3.63Å; L242-F244 HydrophobicContact CB-CG 4.28Å; L242-F244 HydrophobicContact CB-CZ 4.05Å; L242-F244 HydrophobicContact CD1-CE1 4Å; L242-F244 HydrophobicContact CD1-CE2 3.91Å; L242-F244 HydrophobicContact CD1-CZ 3.54Å; L242-F244 HydrophobicContact CG-CE1 4.4Å; L242-F244 HydrophobicContact CG-CZ 4.41Å; L242-F244 WeakPolarHBondContact O-CD1 3.49Å; L242-F244 PolarHBondContact O-N 3.02Å; L242-F244 VanDerWaalsContact O-N 3.15Å; L242-P257 HydrophobicContact CD1-CB 3.85Å; L242-P257 HydrophobicContact CD1-CG 4.02Å; L242-I261 HydrophobicContact CD1-CG2 4.06Å; L242-I261 HydrophobicContact CD2-CG2 4.37Å; L242-I261 HydrophobicContact CG-CG2 4.2Å; L242-E312 HydrophobicContact CD1-CG 3.75Å; L242-E312 HydrophobicContact CD2-CB 4.35Å; L242-E312 HydrophobicContact CD2-CG 3.89Å; L242-F315 HydrophobicContact CD2-CB 3.69Å; L242-F315 HydrophobicContact CD2-CD1 4.08Å; L242-F315 HydrophobicContact CD2-CG 3.95Å
243	H	94.8	Very high	92.4	Very high	147 Å²	147	62.3 Å²	62.3	68%	0.681	31%	0.306	S	S	*	.			trans	50.6	37.1	-179.2	-53.9	-53.3	0	0	0	114.2	A238 Y239 E240	A238-H243 PolarHBondContact O-N 3.26Å; Y239-H243 PolarHBondContact O-ND1 2.83Å; E240-H243 PolarHBondContact O-CE1 3.43Å; E240-H243 PolarHBondContact O-ND1 3.39Å
244	F	94.6	Very high	91.9	Very high	12 Å²	12	65.3 Å²	65.3	5%	0.053	33%	0.325	C	S	.	.			trans	-63.3	144.5	176	-72.5	-4	0	0	0	111.3	A238 Y239 L242 F248 K255 P257 N308 A311	A238-F244 HydrophobicContact CB-CD2 4.29Å; A238-F244 WeakPolarHBondContact O-CB 3.38Å; A238-F244 PolarHBondContact O-N 3.23Å; Y239-F244 WeakPolarHBondContact CD1-O 3.37Å; L242-F244 HydrophobicContact CB-CD1 3.75Å; L242-F244 HydrophobicContact CB-CE1 3.63Å; L242-F244 HydrophobicContact CB-CG 4.28Å; L242-F244 HydrophobicContact CB-CZ 4.05Å; L242-F244 HydrophobicContact CD1-CE1 4Å; L242-F244 HydrophobicContact CD1-CE2 3.91Å; L242-F244 HydrophobicContact CD1-CZ 3.54Å; L242-F244 HydrophobicContact CG-CE1 4.4Å; L242-F244 HydrophobicContact CG-CZ 4.41Å; L242-F244 WeakPolarHBondContact O-CD1 3.49Å; L242-F244 PolarHBondContact O-N 3.02Å; L242-F244 VanDerWaalsContact O-N 3.15Å; F244-F248 HydrophobicContact CB-CZ 4.33Å; F244-K255 HydrophobicContact CD2-CB 4.1Å; F244-K255 WeakPolarHBondContact CD2-O 3.48Å; F244-K255 HydrophobicContact CE2-CB 3.92Å; F244-K255 HydrophobicContact CZ-CB 4.34Å; F244-P257 HydrophobicContact CE2-CG 4.45Å; F244-N308 HydrophobicContact CE1-CB 3.84Å; F244-N308 HydrophobicContact CZ-CB 3.8Å; F244-A311 HydrophobicContact CE1-CB 3.91Å
245	P	92.3	Very high	91.5	Very high	69 Å²	69	67.4 Å²	67.4	45%	0.448	33%	0.334	S	S	.	.			trans	-66	144.7	174.6	29.9	-35.1	0	0	0	110.2	V247 F248	P245-V247 VanDerWaalsContact C-N 3.28Å; P245-V247 PolarHBondContact O-N 2.79Å; P245-F248 HydrophobicContact CG-CD1 3.96Å; P245-F248 HydrophobicContact CG-CE1 3.57Å; P245-F248 HydrophobicContact CG-CE2 4.24Å; P245-F248 HydrophobicContact CG-CG 4.45Å; P245-F248 HydrophobicContact CG-CZ 3.72Å; P245-F248 WeakPolarHBondContact O-CE2 3.36Å
246	K	89.4	Confident	91.3	Very high	147 Å²	147	68.8 Å²	68.8	64%	0.639	34%	0.341	S	S	*	.	S	Bend	trans	-72.2	-25.3	176.8	-66.5	179.5	-178.5	174.1	0	112.7	Y239	Y239-K246 HydrophobicContact CD1-CG 4.27Å; Y239-K246 HydrophobicContact CD2-CG 4.48Å; Y239-K246 HydrophobicContact CE1-CG 3.94Å; Y239-K246 HydrophobicContact CE2-CG 4.17Å
247	V	87.7	Confident	91.3	Very high	123 Å²	123	68.8 Å²	68.8	75%	0.745	34%	0.341	S	S	*	.	S	Bend	trans	-125.8	127.3	179.2	-178.2	0	0	0	0	107.8	P245	P245-V247 VanDerWaalsContact C-N 3.28Å; P245-V247 PolarHBondContact O-N 2.79Å
248	F	85.7	Confident	91.2	Very high	36 Å²	36	69.6 Å²	69.6	16%	0.158	35%	0.346	C	S	.	.			trans	-100.9	148.8	176.1	-70.5	-94.5	0	0	0	110.4	F244 P245 P254 K255	F244-F248 HydrophobicContact CB-CZ 4.33Å; P245-F248 HydrophobicContact CG-CD1 3.96Å; P245-F248 HydrophobicContact CG-CE1 3.57Å; P245-F248 HydrophobicContact CG-CE2 4.24Å; P245-F248 HydrophobicContact CG-CG 4.45Å; P245-F248 HydrophobicContact CG-CZ 3.72Å; P245-F248 WeakPolarHBondContact O-CE2 3.36Å; F248-P254 HydrophobicContact CB-CG 4.45Å; F248-P254 HydrophobicContact CD2-CB 3.74Å; F248-P254 HydrophobicContact CD2-CG 4.39Å; F248-P254 HydrophobicContact CE2-CB 4.14Å; F248-P254 HydrophobicContact CG-CB 4.19Å; F248-K255 HydrophobicContact CD1-CG 4.33Å; F248-K255 HydrophobicContact CE1-CB 3.67Å; F248-K255 HydrophobicContact CE1-CG 3.56Å; F248-K255 HydrophobicContact CZ-CB 3.66Å; F248-K255 HydrophobicContact CZ-CG 4.11Å
249	P	87.2	Confident	91.2	Very high	64 Å²	64	70.1 Å²	70.1	42%	0.416	35%	0.35	S	S	.	.			trans	-54	141.3	170.6	-26.5	36.2	0	0	0	111.7	N251 Q252	P249-N251 WeakPolarHBondContact CB-OD1 3.15Å; P249-N251 PolarHBondContact O-N 2.97Å; P249-N251 VanDerWaalsContact O-N 3.09Å; P249-Q252 HydrophobicContact CB-CB 4.42Å; P249-Q252 HydrophobicContact CB-CG 4.35Å; P249-Q252 PolarHBondContact O-N 2.88Å; P249-Q252 VanDerWaalsContact O-O 3.09Å
250	K	84.8	Confident	91.3	Very high	225 Å²	225	68.8 Å²	68.8	98%	0.978	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-25.8	-177.8	-68.2	-174.7	179.8	179.7	0	113.9	Q252	K250-Q252 VanDerWaalsContact C-N 3.32Å
251	N	86.8	Confident	91.5	Very high	142 Å²	142	66 Å²	66	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-0.9	178.1	65.7	-24	0	0	0	113.5	P249	P249-N251 WeakPolarHBondContact CB-OD1 3.15Å; P249-N251 PolarHBondContact O-N 2.97Å; P249-N251 VanDerWaalsContact O-N 3.09Å
252	Q	83	Confident	91.6	Very high	110 Å²	110	65.6 Å²	65.6	51%	0.514	33%	0.332	S	S	.	.	S	Bend	trans	-119.1	141.9	179.3	-67.3	-176.7	-8.4	0	0	110.3	P249 K250	P249-Q252 HydrophobicContact CB-CB 4.42Å; P249-Q252 HydrophobicContact CB-CG 4.35Å; P249-Q252 PolarHBondContact O-N 2.88Å; P249-Q252 VanDerWaalsContact O-O 3.09Å; K250-Q252 VanDerWaalsContact C-N 3.32Å
253	K	83.9	Confident	91.7	Very high	99 Å²	99	65 Å²	65	43%	0.43	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-69.3	131.9	171.2	-67.5	-172.4	177.4	-173.7	0	109	K255 A305 Y306	K253-K255 PolarHBondContact O-N 2.67Å; K253-A305 HydrophobicContact CD-CB 3.99Å; K253-Y306 HydrophobicContact CD-CD1 4.32Å; K253-Y306 HydrophobicContact CD-CE1 3.79Å; K253-Y306 HydrophobicContact CD-CE2 4.06Å; K253-Y306 PolarHBondContact NZ-OH 3.39Å
254	P	87.2	Confident	91.9	Very high	63 Å²	63	58 Å²	58	41%	0.409	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-52	137.6	170.7	-27	35.3	0	0	0	111.2	F248	F248-P254 HydrophobicContact CB-CG 4.45Å; F248-P254 HydrophobicContact CD2-CB 3.74Å; F248-P254 HydrophobicContact CD2-CG 4.39Å; F248-P254 HydrophobicContact CE2-CB 4.14Å; F248-P254 HydrophobicContact CG-CB 4.19Å
255	K	90.3	Very high	92.1	Very high	47 Å²	47	57.4 Å²	57.4	20%	0.204	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-93.4	137.4	179.2	-56.3	-61.5	-169.6	164.3	0	110	Y85 F244 F248 K253 A305 Y306 H307 N308	Y85-K255 PolarHBondContact OH-O 3Å; F244-K255 HydrophobicContact CD2-CB 4.1Å; F244-K255 WeakPolarHBondContact CD2-O 3.48Å; F244-K255 HydrophobicContact CE2-CB 3.92Å; F244-K255 HydrophobicContact CZ-CB 4.34Å; F248-K255 HydrophobicContact CD1-CG 4.33Å; F248-K255 HydrophobicContact CE1-CB 3.67Å; F248-K255 HydrophobicContact CE1-CG 3.56Å; F248-K255 HydrophobicContact CZ-CB 3.66Å; F248-K255 HydrophobicContact CZ-CG 4.11Å; K253-K255 PolarHBondContact O-N 2.67Å; K255-A305 WeakPolarHBondContact CE-O 3.4Å; K255-A305 PolarHBondContact NZ-O 2.91Å; K255-Y306 WeakPolarHBondContact CA-O 3.48Å; K255-H307 PolarHBondContact NZ-O 3.42Å; K255-H307 VanDerWaalsContact NZ-O 3.09Å; K255-N308 HydrophobicContact CB-CB 4.46Å; K255-N308 HydrophobicContact CG-CB 4.32Å
256	H	92.5	Very high	92.3	Very high	44 Å²	44	54.1 Å²	54.1	20%	0.204	27%	0.272	C	S	.	.			trans	-126.2	146.3	176.8	-59.9	-71.9	0	0	0	109.8	P84 Y85 Y306 H307	P84-H256 WeakPolarHBondContact CG-ND1 3.21Å; Y85-H256 AromaticContact CZ-CE1 3.9Å; Y85-H256 AromaticContact CZ-ND1 3.43Å; Y85-H256 PolarHBondContact OH-CE1 2.85Å; Y85-H256 PolarHBondContact OH-ND1 2.93Å; H256-Y306 PolarHBondContact N-O 2.88Å; H256-H307 PolarHBondContact O-ND1 2.75Å
257	P	96.9	Very high	92.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.			trans	-58.2	144.2	175.3	-20.9	31.3	0	0	0	110.9	A237 A238 L242 F244 I261 I262	A237-P257 HydrophobicContact CB-CB 4.02Å; A237-P257 HydrophobicContact CB-CG 3.78Å; A238-P257 HydrophobicContact CB-CG 3.68Å; L242-P257 HydrophobicContact CD1-CB 3.85Å; L242-P257 HydrophobicContact CD1-CG 4.02Å; F244-P257 HydrophobicContact CE2-CG 4.45Å; P257-I261 HydrophobicContact CB-CB 4.27Å; P257-I261 HydrophobicContact CB-CG2 4.43Å; P257-I262 HydrophobicContact CB-CG1 4.05Å
258	T	96.2	Very high	93.2	Very high	17 Å²	17	41.5 Å²	41.5	10%	0.104	21%	0.207	C	C	.	.			trans	-62.4	154.9	167.1	62.6	0	0	0	0	111	G260 I261 I262 H307 E312	T258-G260 PolarHBondContact O-N 2.83Å; T258-G260 VanDerWaalsContact O-N 3.07Å; T258-I261 PolarHBondContact O-N 3.15Å; T258-I261 PolarHBondContact OG1-N 3.49Å; T258-I262 WeakPolarHBondContact O-CG1 3.33Å; T258-I262 PolarHBondContact O-N 3.49Å; T258-I262 VanDerWaalsContact O-N 3.08Å; T258-H307 HydrophobicContact CG2-CB 4.05Å; T258-E312 VanDerWaalsContact CB-OE2 3.3Å; T258-E312 WeakPolarHBondContact CB-OE2 3.21Å; T258-E312 WeakPolarHBondContact CG2-OE1 2.95Å; T258-E312 WeakPolarHBondContact CG2-OE2 3.46Å; T258-E312 PolarHBondContact N-OE1 3.45Å; T258-E312 PolarHBondContact OG1-OE2 3.04Å
259	T	97.7	Very high	93.7	Very high	11 Å²	11	40.8 Å²	40.8	7%	0.067	20%	0.204	C	C	.	.	H	α-helix	trans	-53.5	-29.8	172.4	-45.7	0	0	0	0	112.2	M145 N146 L165 I262 A263	M145-T259 HydrophobicContact CB-CG2 3.73Å; N146-T259 PolarHBondContact OD1-OG1 3.37Å; L165-T259 HydrophobicContact CB-CG2 3.75Å; L165-T259 HydrophobicContact CD2-CG2 4.27Å; T259-I262 PolarHBondContact O-N 2.92Å; T259-A263 WeakPolarHBondContact O-CB 3.49Å; T259-A263 PolarHBondContact O-N 2.59Å
260	G	98.2	Very high	94	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	19%	0.189	C	C	.	.	H	α-helix	trans	-62.7	-47.9	175.1	0	0	0	0	0	112.9	T258 I262 A263 I264	T258-G260 PolarHBondContact O-N 2.83Å; T258-G260 VanDerWaalsContact O-N 3.07Å; G260-I262 VanDerWaalsContact C-N 3.33Å; G260-I262 PolarHBondContact O-N 3.07Å; G260-A263 WeakPolarHBondContact O-CB 3.32Å; G260-A263 PolarHBondContact O-N 2.85Å; G260-I264 WeakPolarHBondContact O-CG1 3.18Å; G260-I264 PolarHBondContact O-N 2.99Å
261	I	98.4	Very high	94.5	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-67.7	-35.4	176.3	-58	-55.9	0	0	0	111.4	A237 L242 P257 T258 A263 I264 T265 E312 F315 L316	A237-I261 HydrophobicContact CB-CG2 4.16Å; L242-I261 HydrophobicContact CD1-CG2 4.06Å; L242-I261 HydrophobicContact CD2-CG2 4.37Å; L242-I261 HydrophobicContact CG-CG2 4.2Å; P257-I261 HydrophobicContact CB-CB 4.27Å; P257-I261 HydrophobicContact CB-CG2 4.43Å; T258-I261 PolarHBondContact O-N 3.15Å; T258-I261 PolarHBondContact OG1-N 3.49Å; I261-A263 VanDerWaalsContact C-N 3.31Å; I261-A263 PolarHBondContact O-N 2.8Å; I261-I264 HydrophobicContact CD1-CD1 4.21Å; I261-I264 PolarHBondContact O-N 3.43Å; I261-T265 WeakPolarHBondContact O-CB 3.41Å; I261-T265 PolarHBondContact O-N 2.85Å; I261-T265 PolarHBondContact O-OG1 3.18Å; I261-E312 HydrophobicContact CD1-CB 4.23Å; I261-E312 HydrophobicContact CD1-CG 4.48Å; I261-E312 HydrophobicContact CG1-CB 4.07Å; I261-E312 HydrophobicContact CG1-CG 3.79Å; I261-E312 WeakPolarHBondContact CG1-OE2 3.3Å; I261-F315 HydrophobicContact CD1-CD1 4.1Å; I261-F315 HydrophobicContact CD1-CE1 4.37Å; I261-F315 HydrophobicContact CG2-CE1 4.46Å; I261-L316 HydrophobicContact CD1-CD1 4.23Å; I261-L316 HydrophobicContact CD1-CD2 4.11Å; I261-L316 HydrophobicContact CD1-CG 4.07Å
262	I	98.8	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.7	-41.7	173.1	-61.5	169.3	0	0	0	110.4	L165 T187 F189 L229 I233 I234 A237 P257 T258 T259 G260 T265 L266	L165-I262 HydrophobicContact CD2-CB 4.34Å; L165-I262 HydrophobicContact CD2-CG2 3.77Å; T187-I262 HydrophobicContact CG2-CD1 3.97Å; T187-I262 HydrophobicContact CG2-CG2 4.24Å; F189-I262 HydrophobicContact CE1-CD1 3.94Å; F189-I262 HydrophobicContact CZ-CD1 3.81Å; L229-I262 HydrophobicContact CD2-CG2 3.5Å; I233-I262 HydrophobicContact CG2-CG2 4.2Å; I234-I262 HydrophobicContact CD1-CD1 4.5Å; I234-I262 HydrophobicContact CG1-CD1 4.11Å; I234-I262 HydrophobicContact CG1-CG1 4.44Å; I234-I262 HydrophobicContact CG1-CG2 4.15Å; I234-I262 HydrophobicContact CG2-CD1 3.96Å; I234-I262 HydrophobicContact CG2-CG1 4.37Å; A237-I262 HydrophobicContact CB-CG1 4.49Å; P257-I262 HydrophobicContact CB-CG1 4.05Å; T258-I262 WeakPolarHBondContact O-CG1 3.33Å; T258-I262 PolarHBondContact O-N 3.49Å; T258-I262 VanDerWaalsContact O-N 3.08Å; T259-I262 PolarHBondContact O-N 2.92Å; G260-I262 VanDerWaalsContact C-N 3.33Å; G260-I262 PolarHBondContact O-N 3.07Å; I262-T265 PolarHBondContact O-N 2.96Å; I262-L266 PolarHBondContact O-N 3.31Å
263	A	98.9	Very high	95.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.8	-39.8	176.8	0	0	0	0	0	112.5	V120 I143 M145 L165 T259 G260 I261 T265 L266 A267	V120-A263 HydrophobicContact CG1-CB 3.79Å; I143-A263 HydrophobicContact CG2-CB 3.96Å; M145-A263 HydrophobicContact CE-CB 4.2Å; L165-A263 HydrophobicContact CD1-CB 4.03Å; L165-A263 HydrophobicContact CD2-CB 4.05Å; T259-A263 WeakPolarHBondContact O-CB 3.49Å; T259-A263 PolarHBondContact O-N 2.59Å; G260-A263 WeakPolarHBondContact O-CB 3.32Å; G260-A263 PolarHBondContact O-N 2.85Å; I261-A263 VanDerWaalsContact C-N 3.31Å; I261-A263 PolarHBondContact O-N 2.8Å; A263-T265 VanDerWaalsContact C-N 3.33Å; A263-L266 WeakPolarHBondContact O-CB 3.4Å; A263-L266 PolarHBondContact O-N 2.77Å; A263-A267 PolarHBondContact O-N 3.32Å
264	I	98.8	Very high	96.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-43.2	172.3	-67.5	174.3	0	0	0	110.6	V120 G260 I261 L266 A267 F268 L276 F279 L316	V120-I264 HydrophobicContact CB-CG1 4.35Å; V120-I264 HydrophobicContact CG1-CG1 4.17Å; V120-I264 HydrophobicContact CG2-CG1 4.32Å; G260-I264 WeakPolarHBondContact O-CG1 3.18Å; G260-I264 PolarHBondContact O-N 2.99Å; I261-I264 HydrophobicContact CD1-CD1 4.21Å; I261-I264 PolarHBondContact O-N 3.43Å; I264-L266 PolarHBondContact O-N 3.33Å; I264-A267 VanDerWaalsContact O-CB 3.32Å; I264-A267 WeakPolarHBondContact O-CB 3.34Å; I264-A267 PolarHBondContact O-N 2.92Å; I264-A267 VanDerWaalsContact O-N 3.11Å; I264-F268 HydrophobicContact CG2-CD2 4.29Å; I264-F268 HydrophobicContact CG2-CE1 4.02Å; I264-F268 HydrophobicContact CG2-CE2 3.7Å; I264-F268 HydrophobicContact CG2-CZ 3.54Å; I264-F268 WeakPolarHBondContact O-CG 3.05Å; I264-F268 PolarHBondContact O-N 2.96Å; I264-L276 HydrophobicContact CD1-CD1 3.93Å; I264-L276 HydrophobicContact CD1-CD2 3.68Å; I264-L276 HydrophobicContact CD1-CG 4.48Å; I264-L276 HydrophobicContact CG1-CD2 3.65Å; I264-F279 HydrophobicContact CD1-CD1 3.92Å; I264-F279 HydrophobicContact CD1-CE1 3.56Å; I264-F279 HydrophobicContact CD1-CE2 4.41Å; I264-F279 HydrophobicContact CD1-CG 4.49Å; I264-F279 HydrophobicContact CD1-CZ 3.84Å; I264-F279 HydrophobicContact CG1-CE1 4.12Å; I264-F279 HydrophobicContact CG1-CZ 3.97Å; I264-L316 HydrophobicContact CD1-CD2 3.54Å
265	T	98.6	Very high	96.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-44.9	178.4	-51.6	0	0	0	0	110.6	I233 T236 A237 L241 I261 I262 A263 A267 F268 Y269	I233-T265 HydrophobicContact CG2-CG2 3.88Å; T236-T265 HydrophobicContact CG2-CG2 3.62Å; A237-T265 HydrophobicContact CB-CG2 4.43Å; A237-T265 WeakPolarHBondContact CB-OG1 3.43Å; L241-T265 HydrophobicContact CD1-CG2 4.1Å; L241-T265 VanDerWaalsContact CD1-OG1 3.32Å; L241-T265 WeakPolarHBondContact CD1-OG1 3.47Å; I261-T265 WeakPolarHBondContact O-CB 3.41Å; I261-T265 PolarHBondContact O-N 2.85Å; I261-T265 PolarHBondContact O-OG1 3.18Å; I262-T265 PolarHBondContact O-N 2.96Å; A263-T265 VanDerWaalsContact C-N 3.33Å; T265-A267 VanDerWaalsContact C-N 3.31Å; T265-A267 PolarHBondContact O-N 3.09Å; T265-F268 PolarHBondContact O-N 2.9Å; T265-Y269 HydrophobicContact CG2-CD2 4.33Å; T265-Y269 HydrophobicContact CG2-CE2 3.99Å; T265-Y269 VanDerWaalsContact O-CD2 3.24Å; T265-Y269 WeakPolarHBondContact O-CD2 3.47Å; T265-Y269 PolarHBondContact O-N 3.18Å
266	L	98.4	Very high	97.2	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-55.2	-47.3	171.4	172.2	65.9	0	0	0	111.2	P62 F63 L165 I185 L229 I233 I262 A263 I264 F268 Y269 I270	P62-L266 HydrophobicContact CB-CD1 3.39Å; P62-L266 HydrophobicContact CG-CD1 3.6Å; F63-L266 HydrophobicContact CE1-CD1 4.25Å; L165-L266 HydrophobicContact CD1-CD2 3.85Å; I185-L266 HydrophobicContact CD1-CD2 3.58Å; L229-L266 HydrophobicContact CD1-CD1 4.11Å; I233-L266 HydrophobicContact CG2-CB 4.44Å; I262-L266 PolarHBondContact O-N 3.31Å; A263-L266 WeakPolarHBondContact O-CB 3.4Å; A263-L266 PolarHBondContact O-N 2.77Å; I264-L266 PolarHBondContact O-N 3.33Å; L266-F268 VanDerWaalsContact C-N 3.28Å; L266-F268 PolarHBondContact O-N 3.38Å; L266-Y269 PolarHBondContact O-N 3.08Å; L266-I270 HydrophobicContact CD1-CD1 4.32Å; L266-I270 HydrophobicContact CD1-CG2 4.04Å; L266-I270 HydrophobicContact CG-CD1 4.11Å; L266-I270 PolarHBondContact O-N 2.76Å
267	A	98.4	Very high	97.5	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-56.6	-42.2	179	0	0	0	0	0	111.7	V120 I143 A263 I264 T265 Y269 I270 C271 V274	V120-A267 HydrophobicContact CG2-CB 3.69Å; I143-A267 HydrophobicContact CD1-CB 3.82Å; A263-A267 PolarHBondContact O-N 3.32Å; I264-A267 VanDerWaalsContact O-CB 3.32Å; I264-A267 WeakPolarHBondContact O-CB 3.34Å; I264-A267 PolarHBondContact O-N 2.92Å; I264-A267 VanDerWaalsContact O-N 3.11Å; T265-A267 VanDerWaalsContact C-N 3.31Å; T265-A267 PolarHBondContact O-N 3.09Å; A267-Y269 PolarHBondContact O-N 2.94Å; A267-I270 PolarHBondContact O-N 2.77Å; A267-I270 VanDerWaalsContact O-N 3.13Å; A267-C271 WeakPolarHBondContact O-CB 3.48Å; A267-C271 PolarHBondContact O-N 2.8Å; A267-C271 PolarHBondContact O-SG 3.4Å; A267-V274 HydrophobicContact CB-CG1 4.06Å; A267-V274 HydrophobicContact CB-CG2 3.83Å
268	F	97.2	Very high	97.5	Very high	5 Å²	5	10 Å²	10	2%	0.022	5%	0.053	C	C	.	.	H	α-helix	trans	-61.1	-28.8	177.4	-65.3	-26.2	0	0	0	114	F51 L54 L55 L241 I264 T265 L266 V274 F315 I319 V325	F51-F268 HydrophobicContact CB-CD1 4.03Å; F51-F268 HydrophobicContact CB-CE1 3.9Å; F51-F268 HydrophobicContact CB-CG 4.45Å; F51-F268 HydrophobicContact CB-CZ 4.19Å; F51-F268 AromaticContact CD1-CD1 3.6Å; F51-F268 HydrophobicContact CD1-CD1 3.6Å; F51-F268 AromaticContact CD1-CE1 3.63Å; F51-F268 HydrophobicContact CD1-CE1 3.63Å; F51-F268 HydrophobicContact CD2-CB 3.76Å; F51-F268 AromaticContact CD2-CD1 3.48Å; F51-F268 HydrophobicContact CD2-CD1 3.48Å; F51-F268 VanDerWaalsContact CD2-CD1 3.48Å; F51-F268 HydrophobicContact CD2-CE1 4.19Å; F51-F268 AromaticContact CD2-CG 3.75Å; F51-F268 HydrophobicContact CD2-CG 3.75Å; F51-F268 AromaticContact CE1-CD1 3.87Å; F51-F268 HydrophobicContact CE1-CD1 3.87Å; F51-F268 HydrophobicContact CE1-CE1 4.2Å; F51-F268 HydrophobicContact CE2-CB 3.85Å; F51-F268 AromaticContact CE2-CD1 3.76Å; F51-F268 HydrophobicContact CE2-CD1 3.76Å; F51-F268 HydrophobicContact CE2-CG 4.15Å; F51-F268 VanDerWaalsContact CE2-O 3.29Å; F51-F268 WeakPolarHBondContact CE2-O 3.35Å; F51-F268 AromaticContact CG-CD1 3.39Å; F51-F268 HydrophobicContact CG-CD1 3.39Å; F51-F268 AromaticContact CG-CE1 3.63Å; F51-F268 HydrophobicContact CG-CE1 3.63Å; F51-F268 HydrophobicContact CG-CG 4.02Å; F51-F268 HydrophobicContact CG-CZ 4.39Å; F51-F268 AromaticContact CZ-CD1 3.93Å; F51-F268 HydrophobicContact CZ-CD1 3.93Å; L54-F268 HydrophobicContact CD1-CE2 3.93Å; L54-F268 HydrophobicContact CD1-CZ 4.3Å; L55-F268 HydrophobicContact CD1-CB 4.02Å; L55-F268 WeakPolarHBondContact CD1-O 3.49Å; L55-F268 HydrophobicContact CD2-CB 4.02Å; L55-F268 HydrophobicContact CG-CB 4.39Å; L241-F268 HydrophobicContact CD1-CD2 4.38Å; L241-F268 HydrophobicContact CD1-CE2 4.34Å; I264-F268 HydrophobicContact CG2-CD2 4.29Å; I264-F268 HydrophobicContact CG2-CE1 4.02Å; I264-F268 HydrophobicContact CG2-CE2 3.7Å; I264-F268 HydrophobicContact CG2-CZ 3.54Å; I264-F268 WeakPolarHBondContact O-CG 3.05Å; I264-F268 PolarHBondContact O-N 2.96Å; T265-F268 PolarHBondContact O-N 2.9Å; L266-F268 VanDerWaalsContact C-N 3.28Å; L266-F268 PolarHBondContact O-N 3.38Å; F268-V274 HydrophobicContact CD1-CB 4.4Å; F268-V274 HydrophobicContact CD1-CG2 3.98Å; F268-V274 HydrophobicContact CE1-CB 4.23Å; F268-V274 HydrophobicContact CE1-CG1 4.29Å; F268-V274 HydrophobicContact CE1-CG2 4.32Å; F268-F315 HydrophobicContact CE2-CZ 4.22Å; F268-I319 HydrophobicContact CZ-CD1 4.18Å; F268-V325 HydrophobicContact CE1-CG1 3.57Å; F268-V325 HydrophobicContact CZ-CG1 3.89Å
269	Y	94.8	Very high	97.5	Very high	21 Å²	21	10.3 Å²	10.3	8%	0.082	5%	0.053	C	C	.	.	H	α-helix	trans	-83.9	-16.1	178	-77.6	-77.7	0	0	0	114.1	L55 F57 F60 F232 I233 T236 T265 L266 A267	L55-Y269 HydrophobicContact CD1-CD1 4.12Å; L55-Y269 HydrophobicContact CD1-CE1 4.19Å; L55-Y269 HydrophobicContact CD1-CG 4.4Å; L55-Y269 HydrophobicContact CD2-CD2 4.37Å; L55-Y269 HydrophobicContact CD2-CE1 4.39Å; L55-Y269 HydrophobicContact CD2-CE2 3.83Å; F57-Y269 WeakPolarHBondContact O-CE1 3.19Å; F60-Y269 HydrophobicContact CB-CD1 3.59Å; F60-Y269 HydrophobicContact CB-CE1 3.71Å; F60-Y269 HydrophobicContact CB-CG 4.5Å; F60-Y269 HydrophobicContact CD1-CD1 4.16Å; F60-Y269 HydrophobicContact CD1-CE1 4.31Å; F60-Y269 HydrophobicContact CD1-CG 4.37Å; F60-Y269 HydrophobicContact CG-CD1 4.28Å; F60-Y269 HydrophobicContact CG-CE1 4.25Å; F232-Y269 HydrophobicContact CE1-CE1 4.29Å; F232-Y269 AromaticContact CE1-CZ 3.85Å; F232-Y269 VanDerWaalsContact CE1-OH 3.23Å; F232-Y269 WeakPolarHBondContact CE1-OH 3.16Å; I233-Y269 HydrophobicContact CD1-CD2 3.29Å; I233-Y269 HydrophobicContact CD1-CE2 3.57Å; I233-Y269 HydrophobicContact CD1-CG 3.99Å; T236-Y269 HydrophobicContact CG2-CE2 4.19Å; T236-Y269 PolarHBondContact OG1-OH 3.42Å; T265-Y269 HydrophobicContact CG2-CD2 4.33Å; T265-Y269 HydrophobicContact CG2-CE2 3.99Å; T265-Y269 VanDerWaalsContact O-CD2 3.24Å; T265-Y269 WeakPolarHBondContact O-CD2 3.47Å; T265-Y269 PolarHBondContact O-N 3.18Å; L266-Y269 PolarHBondContact O-N 3.08Å; A267-Y269 PolarHBondContact O-N 2.94Å
270	I	93.9	Very high	97.1	Very high	20 Å²	20	14.8 Å²	14.8	10%	0.103	7%	0.071	C	C	.	.	H	α-helix	trans	-121.7	-6.5	-170.3	76.7	-179.9	0	0	0	114.2	P62 L106 I143 F163 L266 A267	P62-I270 HydrophobicContact CG-CG2 3.8Å; L106-I270 HydrophobicContact CD1-CB 4.42Å; L106-I270 HydrophobicContact CD1-CD1 4.24Å; L106-I270 HydrophobicContact CD1-CG2 3.92Å; L106-I270 HydrophobicContact CD2-CB 3.88Å; L106-I270 HydrophobicContact CD2-CG2 3.66Å; L106-I270 HydrophobicContact CG-CG2 4.44Å; I143-I270 HydrophobicContact CD1-CD1 4.12Å; F163-I270 HydrophobicContact CD2-CD1 4.03Å; F163-I270 HydrophobicContact CE2-CD1 3.72Å; L266-I270 HydrophobicContact CD1-CD1 4.32Å; L266-I270 HydrophobicContact CD1-CG2 4.04Å; L266-I270 HydrophobicContact CG-CD1 4.11Å; L266-I270 PolarHBondContact O-N 2.76Å; A267-I270 PolarHBondContact O-N 2.77Å; A267-I270 VanDerWaalsContact O-N 3.13Å
271	C	94.7	Very high	96.6	Very high	12 Å²	12	16.7 Å²	16.7	8%	0.081	8%	0.076	C	C	.	.			trans	-126.2	157.7	-171.5	-46.4	0	0	0	0	111.4	F51 C118 A267 V274	F51-C271 WeakPolarHBondContact CZ-O 3.45Å; C118-C271 HydrophobicContact CB-CB 3.69Å; C118-C271 WeakPolarHBondContact CB-SG 3.46Å; C118-C271 WeakPolarHBondContact SG-CB 3.28Å; C118-C271 CovalentContact SG-SG 1.97Å; C118-C271 PolarHBondContact SG-SG 3.46Å; A267-C271 WeakPolarHBondContact O-CB 3.48Å; A267-C271 PolarHBondContact O-N 2.8Å; A267-C271 PolarHBondContact O-SG 3.4Å; C271-V274 HydrophobicContact CB-CG2 3.82Å
272	H	94.9	Very high	96	Very high	42 Å²	42	20.2 Å²	20.2	19%	0.194	10%	0.095	C	C	.	.	S	Bend	trans	-95.5	-34	170	-175.7	64.7	0	0	0	112.4	C45 S47 P49 C115 K116	C45-H272 VanDerWaalsContact SG-CG 3.52Å; C45-H272 PolarHBondContact SG-ND1 3Å; C45-H272 VanDerWaalsContact SG-ND1 3.37Å; S47-H272 VanDerWaalsContact CB-CE1 3.44Å; S47-H272 WeakPolarHBondContact CB-CE1 3.49Å; S47-H272 PolarHBondContact O-CE1 3.27Å; S47-H272 PolarHBondContact O-ND1 3.02Å; S47-H272 PolarHBondContact OG-CE1 2.8Å; S47-H272 PolarHBondContact OG-NE2 3.26Å; P49-H272 VanDerWaalsContact CB-O 3.22Å; P49-H272 WeakPolarHBondContact CB-O 3.23Å; C115-H272 HydrophobicContact CB-CB 3.9Å; K116-H272 PolarHBondContact O-N 3.29Å
273	E	97.5	Very high	95.2	Very high	54 Å²	54	24.6 Å²	24.6	25%	0.252	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.2	178.9	-165.2	-179.5	139.1	0	0	108.6	K116 K117 C118 H275	K116-E273 PolarHBondContact O-N 3.15Å; K117-E273 HydrophobicContact CB-CB 4.45Å; K117-E273 WeakPolarHBondContact CE-OE2 3.39Å; K117-E273 HydrophobicContact CG-CB 4.08Å; K117-E273 IonicContact NZ-OE1 2.8Å; K117-E273 IonicContact NZ-OE2 3.99Å; K117-E273 PolarHBondContact NZ-OE2 3.33Å; C118-E273 PolarHBondContact N-O 3.49Å; E273-H275 IonicContact OE1-CD2 2.77Å; E273-H275 IonicContact OE1-CE1 3.53Å; E273-H275 IonicContact OE1-NE2 2.76Å; E273-H275 PolarHBondContact OE1-NE2 3.03Å
274	V	98.6	Very high	94.7	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	125.2	-177.2	175.5	0	0	0	0	110.2	F51 C118 V120 A267 F268 C271 L276 V325 I326	F51-V274 HydrophobicContact CE1-CB 4.05Å; F51-V274 HydrophobicContact CE1-CG2 3.65Å; F51-V274 HydrophobicContact CZ-CG2 3.84Å; C118-V274 HydrophobicContact CB-CG2 4.5Å; C118-V274 WeakPolarHBondContact O-CA 3.27Å; V120-V274 HydrophobicContact CG2-CG1 4.18Å; A267-V274 HydrophobicContact CB-CG1 4.06Å; A267-V274 HydrophobicContact CB-CG2 3.83Å; F268-V274 HydrophobicContact CD1-CB 4.4Å; F268-V274 HydrophobicContact CD1-CG2 3.98Å; F268-V274 HydrophobicContact CE1-CB 4.23Å; F268-V274 HydrophobicContact CE1-CG1 4.29Å; F268-V274 HydrophobicContact CE1-CG2 4.32Å; C271-V274 HydrophobicContact CB-CG2 3.82Å; V274-L276 HydrophobicContact CG1-CD2 4.01Å; V274-V325 HydrophobicContact CB-CG1 4.1Å; V274-V325 HydrophobicContact CG1-CG1 4.13Å; V274-V325 WeakPolarHBondContact O-CA 3.45Å; V274-V325 WeakPolarHBondContact O-CB 3.48Å; V274-I326 PolarHBondContact O-N 3.45Å; V274-I326 VanDerWaalsContact O-N 3.14Å
275	H	98.7	Very high	94.3	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.056	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	146.6	174.8	-70.8	-129.4	0	0	0	109.9	C118 V119 V120 Y139 E273 I326 L328	C118-H275 PolarHBondContact O-N 3.12Å; V119-H275 CarbonylContact C-O 3.57Å; V119-H275 WeakPolarHBondContact CA-O 3.42Å; V119-H275 HydrophobicContact CB-CB 4.35Å; V119-H275 HydrophobicContact CG2-CB 4.24Å; V120-H275 PolarHBondContact N-O 3.39Å; Y139-H275 HydrophobicContact CE1-CB 3.7Å; Y139-H275 AromaticContact CE1-CD2 3.56Å; Y139-H275 AromaticContact CE1-CG 3.44Å; Y139-H275 VanDerWaalsContact CE1-CG 3.44Å; Y139-H275 AromaticContact CE1-ND1 3.81Å; Y139-H275 AromaticContact CE1-NE2 3.96Å; Y139-H275 AromaticContact CZ-CG 3.62Å; Y139-H275 AromaticContact CZ-ND1 3.58Å; Y139-H275 PolarHBondContact OH-CE1 2.82Å; Y139-H275 PolarHBondContact OH-ND1 2.98Å; E273-H275 IonicContact OE1-CD2 2.77Å; E273-H275 IonicContact OE1-CE1 3.53Å; E273-H275 IonicContact OE1-NE2 2.76Å; E273-H275 PolarHBondContact OE1-NE2 3.03Å; H275-I326 CarbonylContact C-O 3.48Å; H275-I326 WeakPolarHBondContact CA-O 3.48Å; H275-I326 VanDerWaalsContact CE1-CD1 3.4Å; H275-I326 WeakPolarHBondContact CE1-CD1 3.35Å; H275-I326 WeakPolarHBondContact ND1-CG2 3.44Å; H275-I326 WeakPolarHBondContact NE2-CD1 3.47Å; H275-L328 HydrophobicContact CB-CD1 4.14Å; H275-L328 HydrophobicContact CB-CG 4.17Å
276	L	98.7	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.6	-178.2	-55	-175.1	0	0	0	109.5	V120 I264 V274 F279 L316 I319 V325 I326 N327 L328	V120-L276 HydrophobicContact CB-CD2 3.99Å; V120-L276 HydrophobicContact CG2-CD2 4.22Å; I264-L276 HydrophobicContact CD1-CD1 3.93Å; I264-L276 HydrophobicContact CD1-CD2 3.68Å; I264-L276 HydrophobicContact CD1-CG 4.48Å; I264-L276 HydrophobicContact CG1-CD2 3.65Å; V274-L276 HydrophobicContact CG1-CD2 4.01Å; L276-F279 HydrophobicContact CB-CD2 3.95Å; L276-F279 HydrophobicContact CB-CE2 4.49Å; L276-F279 HydrophobicContact CD2-CD2 4.49Å; L276-F279 HydrophobicContact CD2-CE2 4.35Å; L276-L316 HydrophobicContact CD1-CD2 3.8Å; L276-I319 HydrophobicContact CD1-CD1 4.33Å; L276-V325 HydrophobicContact CD1-CB 4.44Å; L276-V325 HydrophobicContact CD1-CG2 3.78Å; L276-V325 HydrophobicContact CG-CB 4.35Å; L276-V325 HydrophobicContact CG-CG2 4.17Å; L276-I326 PolarHBondContact N-O 2.99Å; L276-N327 PolarHBondContact O-OD1 3.39Å; L276-L328 PolarHBondContact O-N 3.26Å
277	A	98.6	Very high	93.6	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.3	171.4	0	0	0	0	0	109	V119 V120 V121 G122 L127 I136 F279 L328 T329	V119-A277 HydrophobicContact CG2-CB 4.41Å; V120-A277 PolarHBondContact O-N 3.01Å; V121-A277 CarbonylContact C-O 3.46Å; G122-A277 PolarHBondContact N-O 2.8Å; L127-A277 HydrophobicContact CD2-CB 4.09Å; I136-A277 HydrophobicContact CD1-CB 4.34Å; A277-F279 VanDerWaalsContact O-CD2 3.31Å; A277-F279 WeakPolarHBondContact O-CD2 3.49Å; A277-L328 HydrophobicContact CB-CB 4.41Å; A277-T329 WeakPolarHBondContact CA-OG1 3.47Å
278	G	97.4	Very high	93.4	Very high	4 Å²	4	46.5 Å²	46.5	4%	0.041	23%	0.233	C	C	.	.	S	Bend	trans	81.7	22.9	172.8	0	0	0	0	0	117.2	G124 T329	G124-G278 VanDerWaalsContact CA-O 3.28Å; G124-G278 WeakPolarHBondContact CA-O 3.31Å; G124-G278 PolarHBondContact N-O 3Å; G278-T329 PolarHBondContact N-OG1 2.9Å
279	F	95.6	Very high	93.3	Very high	24 Å²	24	48.9 Å²	48.9	11%	0.105	25%	0.249	C	C	.	.			trans	-98.6	16.7	-176.8	-79.6	-90.9	0	0	0	115.2	V120 G122 I264 L276 A277 Q313 L316	V120-F279 HydrophobicContact CB-CE2 4.08Å; V120-F279 HydrophobicContact CB-CZ 4.28Å; V120-F279 HydrophobicContact CG1-CE2 3.82Å; V120-F279 HydrophobicContact CG1-CZ 3.59Å; V120-F279 WeakPolarHBondContact O-CE2 3.45Å; G122-F279 VanDerWaalsContact N-CE2 3.33Å; I264-F279 HydrophobicContact CD1-CD1 3.92Å; I264-F279 HydrophobicContact CD1-CE1 3.56Å; I264-F279 HydrophobicContact CD1-CE2 4.41Å; I264-F279 HydrophobicContact CD1-CG 4.49Å; I264-F279 HydrophobicContact CD1-CZ 3.84Å; I264-F279 HydrophobicContact CG1-CE1 4.12Å; I264-F279 HydrophobicContact CG1-CZ 3.97Å; L276-F279 HydrophobicContact CB-CD2 3.95Å; L276-F279 HydrophobicContact CB-CE2 4.49Å; L276-F279 HydrophobicContact CD2-CD2 4.49Å; L276-F279 HydrophobicContact CD2-CE2 4.35Å; A277-F279 VanDerWaalsContact O-CD2 3.31Å; A277-F279 WeakPolarHBondContact O-CD2 3.49Å; F279-Q313 PolarHBondContact O-NE2 3.41Å; F279-L316 HydrophobicContact CB-CD1 4.1Å; F279-L316 HydrophobicContact CB-CD2 4.38Å; F279-L316 HydrophobicContact CD1-CD1 4.15Å; F279-L316 HydrophobicContact CD1-CD2 4.19Å; F279-L316 HydrophobicContact CG-CD2 4.46Å
280	K	89.6	Confident	93.2	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	25%	0.247	S	C	.	.			trans	-107.6	132.6	-179.5	-172.6	177.9	179.3	-178.4	0	111.1	V126	V126-K280 HydrophobicContact CB-CB 4.23Å; V126-K280 HydrophobicContact CG1-CB 3.99Å; V126-K280 HydrophobicContact CG2-CB 4.23Å; V126-K280 HydrophobicContact CG2-CD 4.2Å
281	Y	87.1	Confident	93.3	Very high	48 Å²	48	49.4 Å²	49.4	19%	0.188	25%	0.252	C	S	.	.			trans	-109.1	145	170.8	-69.7	-53.5	0	0	0	111	F283 L290 M298 M301 V309	Y281-F283 HydrophobicContact CD2-CE2 4.26Å; Y281-F283 AromaticContact CD2-CZ 3.93Å; Y281-F283 HydrophobicContact CD2-CZ 3.93Å; Y281-F283 HydrophobicContact CG-CE2 4.33Å; Y281-F283 HydrophobicContact CG-CZ 4.16Å; Y281-L290 HydrophobicContact CD1-CD1 4.09Å; Y281-L290 HydrophobicContact CE1-CD1 3.65Å; Y281-M298 HydrophobicContact CD1-CE 4.04Å; Y281-M298 HydrophobicContact CD1-SD 3.57Å; Y281-M298 VanDerWaalsContact CD1-SD 3.57Å; Y281-M298 HydrophobicContact CE1-SD 4.37Å; Y281-M298 HydrophobicContact CG-CE 3.97Å; Y281-M298 HydrophobicContact CG-SD 4.1Å; Y281-M301 HydrophobicContact CE1-CE 4.34Å; Y281-V309 HydrophobicContact CD2-CG1 3.49Å; Y281-V309 VanDerWaalsContact CD2-CG1 3.49Å; Y281-V309 HydrophobicContact CE2-CG1 3.5Å
282	N	85.9	Confident	93.4	Very high	75 Å²	75	49.1 Å²	49.1	40%	0.401	25%	0.249	S	C	.	.			trans	-99.8	90	172.3	-176.5	-4	0	0	0	109.9	S284 D285 S288	N282-S284 VanDerWaalsContact C-N 3.25Å; N282-S284 PolarHBondContact O-N 3.38Å; N282-S284 WeakPolarHBondContact OD1-CB 3.44Å; N282-S284 PolarHBondContact OD1-N 2.85Å; N282-S284 VanDerWaalsContact OD1-N 3.16Å; N282-D285 PolarHBondContact OD1-N 3.26Å; N282-S288 PolarHBondContact O-OG 2.96Å
283	F	83.4	Confident	93.5	Very high	93 Å²	93	48.4 Å²	48.4	41%	0.408	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-15.4	178.4	-67.9	-76.2	0	0	0	113.9	Y281 D285 M298 V309 Q313	Y281-F283 HydrophobicContact CD2-CE2 4.26Å; Y281-F283 AromaticContact CD2-CZ 3.93Å; Y281-F283 HydrophobicContact CD2-CZ 3.93Å; Y281-F283 HydrophobicContact CG-CE2 4.33Å; Y281-F283 HydrophobicContact CG-CZ 4.16Å; F283-D285 VanDerWaalsContact C-N 3.35Å; F283-M298 HydrophobicContact CD1-CE 3.78Å; F283-M298 HydrophobicContact CE1-CE 3.63Å; F283-M298 HydrophobicContact CG-CE 4.42Å; F283-M298 HydrophobicContact CZ-CE 4.15Å; F283-V309 HydrophobicContact CE1-CG1 4.48Å; F283-V309 HydrophobicContact CE2-CG1 4.46Å; F283-V309 HydrophobicContact CZ-CB 4.16Å; F283-V309 HydrophobicContact CZ-CG1 3.61Å; F283-Q313 HydrophobicContact CE2-CG 4.11Å
284	S	87.3	Confident	93.3	Very high	122 Å²	122	48.1 Å²	48.1	85%	0.853	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.6	178.7	-56.4	0	0	0	0	112.4	N282	N282-S284 VanDerWaalsContact C-N 3.25Å; N282-S284 PolarHBondContact O-N 3.38Å; N282-S284 WeakPolarHBondContact OD1-CB 3.44Å; N282-S284 PolarHBondContact OD1-N 2.85Å; N282-S284 VanDerWaalsContact OD1-N 3.16Å
285	D	91.1	Very high	93.1	Very high	69 Å²	69	55.6 Å²	55.6	37%	0.369	30%	0.296	S	S	.	.			trans	-124	103.2	177.8	177.8	15.1	0	0	0	111.7	N282 F283 K287 S288	N282-D285 PolarHBondContact OD1-N 3.26Å; F283-D285 VanDerWaalsContact C-N 3.35Å; D285-K287 PolarHBondContact O-N 2.95Å; D285-K287 WeakPolarHBondContact OD1-CA 3.19Å; D285-K287 WeakPolarHBondContact OD1-CB 3.44Å; D285-K287 PolarHBondContact OD1-N 3.42Å; D285-S288 VanDerWaalsContact O-CB 3.28Å; D285-S288 WeakPolarHBondContact O-CB 3.43Å; D285-S288 PolarHBondContact O-N 3.29Å; D285-S288 VanDerWaalsContact O-N 3.09Å; D285-S288 PolarHBondContact O-OG 3.17Å; D285-S288 PolarHBondContact OD1-N 3.11Å; D285-S288 PolarHBondContact OD2-N 2.87Å
286	L	89	Confident	92.9	Very high	77 Å²	77	56.3 Å²	56.3	40%	0.403	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-16	177.7	-64.2	-179.5	0	0	0	113.9	T297 M298 S299 N302	L286-T297 WeakPolarHBondContact O-CB 3.47Å; L286-T297 PolarHBondContact O-OG1 3.45Å; L286-M298 PolarHBondContact O-N 3.32Å; L286-S299 PolarHBondContact O-N 3.44Å; L286-N302 HydrophobicContact CD2-CB 4.2Å
287	K	93.2	Very high	92.6	Very high	180 Å²	180	58.6 Å²	58.6	78%	0.783	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-13.8	174.5	-63.2	-177.7	179.5	178.2	0	112.2	D285 T297	D285-K287 PolarHBondContact O-N 2.95Å; D285-K287 WeakPolarHBondContact OD1-CA 3.19Å; D285-K287 WeakPolarHBondContact OD1-CB 3.44Å; D285-K287 PolarHBondContact OD1-N 3.42Å; K287-T297 WeakPolarHBondContact O-CG2 3.46Å
288	S	93.7	Very high	92.3	Very high	11 Å²	11	58.7 Å²	58.7	8%	0.077	32%	0.318	C	S	.	.	S	Bend	trans	-60.1	148	178	68.6	0	0	0	0	111.4	N282 D285 L290 T297 M298	N282-S288 PolarHBondContact O-OG 2.96Å; D285-S288 VanDerWaalsContact O-CB 3.28Å; D285-S288 WeakPolarHBondContact O-CB 3.43Å; D285-S288 PolarHBondContact O-N 3.29Å; D285-S288 VanDerWaalsContact O-N 3.09Å; D285-S288 PolarHBondContact O-OG 3.17Å; D285-S288 PolarHBondContact OD1-N 3.11Å; D285-S288 PolarHBondContact OD2-N 2.87Å; S288-L290 PolarHBondContact O-N 3.28Å; S288-T297 VanDerWaalsContact O-CA 3.28Å; S288-T297 WeakPolarHBondContact O-CA 3.23Å; S288-T297 WeakPolarHBondContact O-CB 3.04Å; S288-M298 PolarHBondContact O-N 3.5Å; S288-M298 WeakPolarHBondContact OG-CG 3.13Å
289	P	94.9	Very high	91.9	Very high	55 Å²	55	60.5 Å²	60.5	36%	0.357	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-59.2	128.6	179.3	-24.6	35.1	0	0	0	111.6	K128	K128-P289 HydrophobicContact CD-CB 4.06Å; K128-P289 HydrophobicContact CD-CG 4Å
290	L	94.2	Very high	91.4	Very high	10 Å²	10	64.2 Å²	64.2	5%	0.052	35%	0.351	C	S	.	.	S	Bend	trans	-70.5	-43.9	173.4	177.3	58.2	0	0	0	110.7	G125 Y281 S288 A296 M298 L300 M301	G125-L290 PolarHBondContact N-O 2.9Å; Y281-L290 HydrophobicContact CD1-CD1 4.09Å; Y281-L290 HydrophobicContact CE1-CD1 3.65Å; S288-L290 PolarHBondContact O-N 3.28Å; L290-A296 HydrophobicContact CB-CB 4.16Å; L290-A296 WeakPolarHBondContact CB-O 3.27Å; L290-A296 HydrophobicContact CD2-CB 4.27Å; L290-A296 PolarHBondContact N-O 3.35Å; L290-M298 HydrophobicContact CD1-SD 3.5Å; L290-M298 WeakPolarHBondContact CD1-SD 3.42Å; L290-L300 HydrophobicContact CD2-CB 4.37Å; L290-M301 HydrophobicContact CD1-CB 3.87Å; L290-M301 HydrophobicContact CD1-CE 3.73Å; L290-M301 HydrophobicContact CD1-CG 4.42Å; L290-M301 HydrophobicContact CD2-CE 4.34Å
291	H	96.3	Very high	91.1	Very high	43 Å²	43	60.2 Å²	60.2	20%	0.199	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-120.2	161.3	179.6	-53.2	135	0	0	0	112.2	N123 G125 K128 Y293	N123-H291 CarbonylContact O-C 3.59Å; N123-H291 WeakPolarHBondContact O-CA 3.45Å; N123-H291 VanDerWaalsContact O-CB 3.27Å; N123-H291 WeakPolarHBondContact O-CB 3.26Å; N123-H291 PolarHBondContact O-CD2 2.86Å; G125-H291 VanDerWaalsContact CA-C 3.41Å; K128-H291 VanDerWaalsContact CE-O 3.31Å; K128-H291 WeakPolarHBondContact CE-O 3.49Å; H291-Y293 HydrophobicContact CB-CD1 3.76Å; H291-Y293 HydrophobicContact CB-CE1 3.67Å; H291-Y293 HydrophobicContact CB-CG 4.34Å; H291-Y293 WeakPolarHBondContact CB-O 3.28Å; H291-Y293 AromaticContact CG-CE1 3.98Å; H291-Y293 PolarHBondContact O-N 3.18Å
292	Y	96.5	Very high	90.6	Very high	6 Å²	6	63.5 Å²	63.5	2%	0.024	36%	0.355	C	S	.	.	S	Bend	trans	-69.5	-15.9	172.7	64	-101.1	0	0	0	113.6	N123 L127 K128 G148 P149 H153 V157	N123-Y292 HydrophobicContact CB-CE1 4.42Å; N123-Y292 WeakPolarHBondContact O-CD1 3.43Å; N123-Y292 PolarHBondContact O-N 2.79Å; L127-Y292 HydrophobicContact CB-CD1 4.09Å; L127-Y292 HydrophobicContact CB-CG 4.23Å; L127-Y292 HydrophobicContact CD1-CD1 3.67Å; L127-Y292 HydrophobicContact CD1-CE1 3.99Å; L127-Y292 HydrophobicContact CG-CD1 4.48Å; K128-Y292 VanDerWaalsContact CE-C 3.46Å; K128-Y292 WeakPolarHBondContact CE-O 3.08Å; G148-Y292 VanDerWaalsContact C-OH 3.22Å; G148-Y292 VanDerWaalsContact CA-OH 3.32Å; G148-Y292 WeakPolarHBondContact CA-OH 3.33Å; P149-Y292 HydrophobicContact CG-CE2 4.43Å; P149-Y292 WeakPolarHBondContact O-CE2 3.38Å; P149-Y292 PolarHBondContact O-OH 3.04Å; H153-Y292 HydrophobicContact CB-CD2 4.32Å; H153-Y292 HydrophobicContact CB-CE2 4.2Å; H153-Y292 PolarHBondContact CE1-O 3.35Å; H153-Y292 AromaticContact CG-CD2 3.94Å; H153-Y292 AromaticContact ND1-CD2 3.92Å; V157-Y292 HydrophobicContact CG1-CD1 4.29Å; V157-Y292 HydrophobicContact CG1-CD2 4.21Å; V157-Y292 HydrophobicContact CG1-CE1 4.04Å; V157-Y292 HydrophobicContact CG1-CE2 4.02Å; V157-Y292 HydrophobicContact CG1-CG 4.37Å; V157-Y292 HydrophobicContact CG2-CE2 4.46Å
293	Y	96	Very high	90.3	Very high	27 Å²	27	67.5 Å²	67.5	11%	0.106	37%	0.369	C	S	.	.	S	Bend	trans	-118.6	158.4	177.7	63.9	-80.5	0	0	0	111.1	N123 N147 P149 H291	N123-Y293 HydrophobicContact CB-CE1 4Å; N123-Y293 PolarHBondContact ND2-OH 3.47Å; N147-Y293 WeakPolarHBondContact O-CE2 3.29Å; N147-Y293 PolarHBondContact OD1-OH 3.24Å; P149-Y293 VanDerWaalsContact CD-CD1 3.43Å; P149-Y293 HydrophobicContact CG-CD1 4.31Å; P149-Y293 HydrophobicContact CG-CD2 4.06Å; P149-Y293 HydrophobicContact CG-CG 3.78Å; H291-Y293 HydrophobicContact CB-CD1 3.76Å; H291-Y293 HydrophobicContact CB-CE1 3.67Å; H291-Y293 HydrophobicContact CB-CG 4.34Å; H291-Y293 WeakPolarHBondContact CB-O 3.28Å; H291-Y293 AromaticContact CG-CE1 3.98Å; H291-Y293 PolarHBondContact O-N 3.18Å
294	G	94.2	Very high	90	Very high	47 Å²	47	65.8 Å²	65.8	49%	0.485	36%	0.364	S	S	.	.	S	Bend	trans	62.8	-169	179.6	0	0	0	0	0	114.3
295	N	94.3	Very high	89.6	Confident	160 Å²	160	61.9 Å²	61.9	86%	0.856	34%	0.339	S	S	*	.	S	Bend	trans	-113.2	10.7	-168.9	-60.8	-22.5	0	0	0	113.3
296	A	93.4	Very high	89.2	Confident	27 Å²	27	64.3 Å²	64.3	22%	0.223	34%	0.344	C	S	.	.			trans	-67.2	137.2	177.2	0	0	0	0	0	110.4	L290 L300	L290-A296 HydrophobicContact CB-CB 4.16Å; L290-A296 WeakPolarHBondContact CB-O 3.27Å; L290-A296 HydrophobicContact CD2-CB 4.27Å; L290-A296 PolarHBondContact N-O 3.35Å; A296-L300 HydrophobicContact CB-CD1 3.77Å
297	T	94	Very high	89.1	Confident	47 Å²	47	62.9 Å²	62.9	29%	0.288	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-116	164.5	179.7	66.5	0	0	0	0	111.7	L286 K287 S288 S299 L300	L286-T297 WeakPolarHBondContact O-CB 3.47Å; L286-T297 PolarHBondContact O-OG1 3.45Å; K287-T297 WeakPolarHBondContact O-CG2 3.46Å; S288-T297 VanDerWaalsContact O-CA 3.28Å; S288-T297 WeakPolarHBondContact O-CA 3.23Å; S288-T297 WeakPolarHBondContact O-CB 3.04Å; T297-S299 PolarHBondContact O-N 3.09Å; T297-L300 WeakPolarHBondContact O-CB 3.24Å; T297-L300 PolarHBondContact O-N 3.34Å
298	M	90.6	Very high	88.9	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-55.9	-21.3	178.6	-76.2	-58.9	-57.1	0	0	113.8	Y281 F283 L286 S288 L290 L300 M301 N302	Y281-M298 HydrophobicContact CD1-CE 4.04Å; Y281-M298 HydrophobicContact CD1-SD 3.57Å; Y281-M298 VanDerWaalsContact CD1-SD 3.57Å; Y281-M298 HydrophobicContact CE1-SD 4.37Å; Y281-M298 HydrophobicContact CG-CE 3.97Å; Y281-M298 HydrophobicContact CG-SD 4.1Å; F283-M298 HydrophobicContact CD1-CE 3.78Å; F283-M298 HydrophobicContact CE1-CE 3.63Å; F283-M298 HydrophobicContact CG-CE 4.42Å; F283-M298 HydrophobicContact CZ-CE 4.15Å; L286-M298 PolarHBondContact O-N 3.32Å; S288-M298 PolarHBondContact O-N 3.5Å; S288-M298 WeakPolarHBondContact OG-CG 3.13Å; L290-M298 HydrophobicContact CD1-SD 3.5Å; L290-M298 WeakPolarHBondContact CD1-SD 3.42Å; M298-L300 PolarHBondContact O-N 2.85Å; M298-M301 HydrophobicContact CE-CB 4.03Å; M298-M301 HydrophobicContact CE-CG 4.26Å; M298-M301 PolarHBondContact O-N 2.74Å; M298-M301 VanDerWaalsContact O-N 3.07Å; M298-M301 HydrophobicContact SD-CB 4.47Å; M298-N302 PolarHBondContact O-N 3.2Å; M298-N302 VanDerWaalsContact O-N 3.11Å
299	S	88.8	Confident	88.6	Confident	43 Å²	43	57.3 Å²	57.3	30%	0.301	31%	0.313	S	S	.	.	H	α-helix	trans	-53.9	-33.3	170.2	179.5	0	0	0	0	113.7	L286 T297	L286-S299 PolarHBondContact O-N 3.44Å; T297-S299 PolarHBondContact O-N 3.09Å
300	L	86.7	Confident	88.3	Confident	101 Å²	101	59.2 Å²	59.2	53%	0.529	32%	0.324	S	S	.	.	H	α-helix	trans	-71.2	-39.9	176.6	-72.4	170.7	0	0	0	111.9	L290 A296 T297 M298 N302 K303 N304	L290-L300 HydrophobicContact CD2-CB 4.37Å; A296-L300 HydrophobicContact CB-CD1 3.77Å; T297-L300 WeakPolarHBondContact O-CB 3.24Å; T297-L300 PolarHBondContact O-N 3.34Å; M298-L300 PolarHBondContact O-N 2.85Å; L300-N302 VanDerWaalsContact C-N 3.31Å; L300-N302 PolarHBondContact O-N 2.95Å; L300-K303 PolarHBondContact O-N 3.32Å; L300-N304 PolarHBondContact O-N 3.02Å
301	M	82.6	Confident	88.2	Confident	22 Å²	22	59.7 Å²	59.7	11%	0.108	33%	0.33	C	S	.	.	H	α-helix	trans	-66.4	-36.2	179	-170.5	59	71.6	0	0	111.4	Y281 L290 M298 K303 N304 V309	Y281-M301 HydrophobicContact CE1-CE 4.34Å; L290-M301 HydrophobicContact CD1-CB 3.87Å; L290-M301 HydrophobicContact CD1-CE 3.73Å; L290-M301 HydrophobicContact CD1-CG 4.42Å; L290-M301 HydrophobicContact CD2-CE 4.34Å; M298-M301 HydrophobicContact CE-CB 4.03Å; M298-M301 HydrophobicContact CE-CG 4.26Å; M298-M301 PolarHBondContact O-N 2.74Å; M298-M301 VanDerWaalsContact O-N 3.07Å; M298-M301 HydrophobicContact SD-CB 4.47Å; M301-K303 PolarHBondContact O-N 3.29Å; M301-N304 VanDerWaalsContact O-CB 3.24Å; M301-N304 WeakPolarHBondContact O-CB 3.48Å; M301-N304 PolarHBondContact O-N 2.9Å; M301-N304 HydrophobicContact SD-CB 4.12Å; M301-V309 HydrophobicContact CG-CG2 4.17Å; M301-V309 HydrophobicContact SD-CG2 3.81Å
302	N	76.5	Confident	88.2	Confident	116 Å²	116	57.9 Å²	57.9	62%	0.62	32%	0.321	S	S	*	.	H	α-helix	trans	-62.2	-25.2	176	-165.1	44.9	0	0	0	113.3	L286 M298 L300 N304	L286-N302 HydrophobicContact CD2-CB 4.2Å; M298-N302 PolarHBondContact O-N 3.2Å; M298-N302 VanDerWaalsContact O-N 3.11Å; L300-N302 VanDerWaalsContact C-N 3.31Å; L300-N302 PolarHBondContact O-N 2.95Å; N302-N304 VanDerWaalsContact C-N 3.35Å
303	K	79.1	Confident	88	Confident	160 Å²	160	59.7 Å²	59.7	70%	0.696	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-6.2	175.4	-64.1	177.1	-177.3	178.8	0	112.8	L300 M301 A305	L300-K303 PolarHBondContact O-N 3.32Å; M301-K303 PolarHBondContact O-N 3.29Å; K303-A305 PolarHBondContact O-N 3.35Å
304	N	77.8	Confident	88	Confident	56 Å²	56	63.8 Å²	63.8	30%	0.299	35%	0.353	S	S	.	.			trans	-77.5	114.7	-175.9	-168.7	-30.9	0	0	0	111.2	L300 M301 N302 Y306 H307	L300-N304 PolarHBondContact O-N 3.02Å; M301-N304 VanDerWaalsContact O-CB 3.24Å; M301-N304 WeakPolarHBondContact O-CB 3.48Å; M301-N304 PolarHBondContact O-N 2.9Å; M301-N304 HydrophobicContact SD-CB 4.12Å; N302-N304 VanDerWaalsContact C-N 3.35Å; N304-Y306 PolarHBondContact OD1-N 2.97Å; N304-H307 PolarHBondContact ND2-CD2 3.02Å; N304-H307 VanDerWaalsContact ND2-CD2 3.32Å; N304-H307 PolarHBondContact OD1-N 2.98Å
305	A	77.8	Confident	88.1	Confident	41 Å²	41	62.4 Å²	62.4	34%	0.339	33%	0.334	S	S	.	.			trans	-95.5	-3.4	-179.7	0	0	0	0	0	114.4	K253 K255 K303	K253-A305 HydrophobicContact CD-CB 3.99Å; K255-A305 WeakPolarHBondContact CE-O 3.4Å; K255-A305 PolarHBondContact NZ-O 2.91Å; K303-A305 PolarHBondContact O-N 3.35Å
306	Y	84.3	Confident	88.3	Confident	119 Å²	119	55.1 Å²	55.1	47%	0.467	30%	0.295	S	S	.	.	S	Bend	trans	-96.2	-19.6	-174.5	-68.7	-82	0	0	0	114.1	K253 K255 H256 N304	K253-Y306 HydrophobicContact CD-CD1 4.32Å; K253-Y306 HydrophobicContact CD-CE1 3.79Å; K253-Y306 HydrophobicContact CD-CE2 4.06Å; K253-Y306 PolarHBondContact NZ-OH 3.39Å; K255-Y306 WeakPolarHBondContact CA-O 3.48Å; H256-Y306 PolarHBondContact N-O 2.88Å; N304-Y306 PolarHBondContact OD1-N 2.97Å
307	H	86.5	Confident	88.4	Confident	48 Å²	48	59.4 Å²	59.4	22%	0.222	31%	0.308	C	S	.	.			trans	-108.7	156.5	176.2	-56.5	-54.2	0	0	0	111	K255 H256 T258 N304 V309	K255-H307 PolarHBondContact NZ-O 3.42Å; K255-H307 VanDerWaalsContact NZ-O 3.09Å; H256-H307 PolarHBondContact O-ND1 2.75Å; T258-H307 HydrophobicContact CG2-CB 4.05Å; N304-H307 PolarHBondContact ND2-CD2 3.02Å; N304-H307 VanDerWaalsContact ND2-CD2 3.32Å; N304-H307 PolarHBondContact OD1-N 2.98Å; H307-V309 HydrophobicContact CB-CG2 4.08Å
308	N	88.9	Confident	88.5	Confident	58 Å²	58	60 Å²	60	31%	0.31	31%	0.31	S	S	.	.			trans	-110.9	77.2	167.6	-175.6	-8.9	0	0	0	107.7	F244 K255 T310 A311 E312	F244-N308 HydrophobicContact CE1-CB 3.84Å; F244-N308 HydrophobicContact CZ-CB 3.8Å; K255-N308 HydrophobicContact CB-CB 4.46Å; K255-N308 HydrophobicContact CG-CB 4.32Å; N308-T310 PolarHBondContact O-N 3.31Å; N308-A311 HydrophobicContact CB-CB 4.15Å; N308-A311 PolarHBondContact O-N 2.88Å; N308-A311 VanDerWaalsContact O-N 3.09Å; N308-A311 PolarHBondContact OD1-N 3.09Å; N308-A311 VanDerWaalsContact OD1-N 3.15Å; N308-E312 PolarHBondContact O-N 3.15Å; N308-E312 VanDerWaalsContact O-N 3.11Å
309	V	87.5	Confident	88.9	Confident	15 Å²	15	59.9 Å²	59.9	9%	0.091	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-30	-172.6	-165.8	0	0	0	0	111.4	Y281 F283 M301 H307 E312 Q313	Y281-V309 HydrophobicContact CD2-CG1 3.49Å; Y281-V309 VanDerWaalsContact CD2-CG1 3.49Å; Y281-V309 HydrophobicContact CE2-CG1 3.5Å; F283-V309 HydrophobicContact CE1-CG1 4.48Å; F283-V309 HydrophobicContact CE2-CG1 4.46Å; F283-V309 HydrophobicContact CZ-CB 4.16Å; F283-V309 HydrophobicContact CZ-CG1 3.61Å; M301-V309 HydrophobicContact CG-CG2 4.17Å; M301-V309 HydrophobicContact SD-CG2 3.81Å; H307-V309 HydrophobicContact CB-CG2 4.08Å; V309-E312 PolarHBondContact O-N 3.14Å; V309-Q313 HydrophobicContact CG1-CG 4.18Å; V309-Q313 WeakPolarHBondContact O-CB 3.27Å; V309-Q313 VanDerWaalsContact O-CG 3.24Å; V309-Q313 WeakPolarHBondContact O-CG 3.35Å; V309-Q313 PolarHBondContact O-N 3.4Å
310	T	88.9	Confident	89.2	Confident	95 Å²	95	59.1 Å²	59.1	58%	0.583	30%	0.302	S	S	*	.	H	α-helix	trans	-59.4	-49.4	172.9	-52.2	0	0	0	0	111.5	N308 E312 Q313 L314	N308-T310 PolarHBondContact O-N 3.31Å; T310-E312 VanDerWaalsContact C-N 3.31Å; T310-E312 PolarHBondContact O-N 3.2Å; T310-Q313 PolarHBondContact O-N 3.05Å; T310-L314 HydrophobicContact CG2-CD1 4.37Å; T310-L314 WeakPolarHBondContact O-CG 3.38Å; T310-L314 PolarHBondContact O-N 3.17Å
311	A	92.6	Very high	89.7	Confident	21 Å²	21	60.3 Å²	60.3	17%	0.174	30%	0.304	C	S	.	.	H	α-helix	trans	-62.4	-38.7	176.8	0	0	0	0	0	112	F244 N308 L314 F315	F244-A311 HydrophobicContact CE1-CB 3.91Å; N308-A311 HydrophobicContact CB-CB 4.15Å; N308-A311 PolarHBondContact O-N 2.88Å; N308-A311 VanDerWaalsContact O-N 3.09Å; N308-A311 PolarHBondContact OD1-N 3.09Å; N308-A311 VanDerWaalsContact OD1-N 3.15Å; A311-L314 PolarHBondContact O-N 3.17Å; A311-F315 WeakPolarHBondContact O-CB 3.39Å; A311-F315 PolarHBondContact O-N 3.07Å
312	E	95.3	Very high	90.4	Very high	4 Å²	4	65 Å²	65	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-65.3	-40.8	176.8	-64.4	-174.3	-163.3	0	0	112.6	L242 T258 I261 N308 V309 T310 F315 L316	L242-E312 HydrophobicContact CD1-CG 3.75Å; L242-E312 HydrophobicContact CD2-CB 4.35Å; L242-E312 HydrophobicContact CD2-CG 3.89Å; T258-E312 VanDerWaalsContact CB-OE2 3.3Å; T258-E312 WeakPolarHBondContact CB-OE2 3.21Å; T258-E312 WeakPolarHBondContact CG2-OE1 2.95Å; T258-E312 WeakPolarHBondContact CG2-OE2 3.46Å; T258-E312 PolarHBondContact N-OE1 3.45Å; T258-E312 PolarHBondContact OG1-OE2 3.04Å; I261-E312 HydrophobicContact CD1-CB 4.23Å; I261-E312 HydrophobicContact CD1-CG 4.48Å; I261-E312 HydrophobicContact CG1-CB 4.07Å; I261-E312 HydrophobicContact CG1-CG 3.79Å; I261-E312 WeakPolarHBondContact CG1-OE2 3.3Å; N308-E312 PolarHBondContact O-N 3.15Å; N308-E312 VanDerWaalsContact O-N 3.11Å; V309-E312 PolarHBondContact O-N 3.14Å; T310-E312 VanDerWaalsContact C-N 3.31Å; T310-E312 PolarHBondContact O-N 3.2Å; E312-F315 PolarHBondContact O-N 3.02Å; E312-L316 WeakPolarHBondContact O-CB 3.2Å; E312-L316 VanDerWaalsContact O-CG 3.23Å; E312-L316 WeakPolarHBondContact O-CG 3.43Å; E312-L316 PolarHBondContact O-N 2.84Å
313	Q	92.8	Very high	91.4	Very high	45 Å²	45	65.8 Å²	65.8	21%	0.21	33%	0.329	C	S	.	.	H	α-helix	trans	-70.4	-34.5	177.4	-67.6	-69.6	-59.4	0	0	112.1	F279 F283 V309 T310 K317	F279-Q313 PolarHBondContact O-NE2 3.41Å; F283-Q313 HydrophobicContact CE2-CG 4.11Å; V309-Q313 HydrophobicContact CG1-CG 4.18Å; V309-Q313 WeakPolarHBondContact O-CB 3.27Å; V309-Q313 VanDerWaalsContact O-CG 3.24Å; V309-Q313 WeakPolarHBondContact O-CG 3.35Å; V309-Q313 PolarHBondContact O-N 3.4Å; T310-Q313 PolarHBondContact O-N 3.05Å; Q313-K317 VanDerWaalsContact O-CB 3.27Å; Q313-K317 WeakPolarHBondContact O-CB 3.24Å; Q313-K317 PolarHBondContact O-N 3.11Å
314	L	95	Very high	92.3	Very high	112 Å²	112	59.4 Å²	59.4	59%	0.586	30%	0.302	S	S	*	.	H	α-helix	trans	-64.1	-44.5	171.6	-72.3	173.1	0	0	0	111.4	T310 A311 K317 D318	T310-L314 HydrophobicContact CG2-CD1 4.37Å; T310-L314 WeakPolarHBondContact O-CG 3.38Å; T310-L314 PolarHBondContact O-N 3.17Å; A311-L314 PolarHBondContact O-N 3.17Å; L314-K317 PolarHBondContact O-N 3.47Å; L314-D318 WeakPolarHBondContact O-CB 3.48Å; L314-D318 PolarHBondContact O-N 2.95Å
315	F	97.4	Very high	93.2	Very high	18 Å²	18	57 Å²	57	8%	0.079	29%	0.289	C	S	.	.	H	α-helix	trans	-60.3	-48.8	174.5	167.2	-105.5	0	0	0	111.8	L241 L242 I261 F268 A311 E312 K317 D318 I319	L241-F315 HydrophobicContact CB-CD2 4.26Å; L241-F315 HydrophobicContact CB-CE2 3.79Å; L241-F315 HydrophobicContact CB-CZ 3.98Å; L241-F315 HydrophobicContact CD1-CE2 4.42Å; L241-F315 HydrophobicContact CD1-CZ 3.88Å; L241-F315 HydrophobicContact CD2-CE2 4.21Å; L241-F315 HydrophobicContact CD2-CZ 4.39Å; L241-F315 HydrophobicContact CG-CE2 4.36Å; L241-F315 HydrophobicContact CG-CZ 4.31Å; L242-F315 HydrophobicContact CD2-CB 3.69Å; L242-F315 HydrophobicContact CD2-CD1 4.08Å; L242-F315 HydrophobicContact CD2-CG 3.95Å; I261-F315 HydrophobicContact CD1-CD1 4.1Å; I261-F315 HydrophobicContact CD1-CE1 4.37Å; I261-F315 HydrophobicContact CG2-CE1 4.46Å; F268-F315 HydrophobicContact CE2-CZ 4.22Å; A311-F315 WeakPolarHBondContact O-CB 3.39Å; A311-F315 PolarHBondContact O-N 3.07Å; E312-F315 PolarHBondContact O-N 3.02Å; F315-K317 VanDerWaalsContact C-N 3.32Å; F315-K317 PolarHBondContact O-N 3.32Å; F315-D318 PolarHBondContact O-N 3.2Å; F315-I319 HydrophobicContact CD2-CG2 3.99Å; F315-I319 HydrophobicContact CE1-CD1 3.89Å; F315-I319 HydrophobicContact CE1-CG2 4.48Å; F315-I319 HydrophobicContact CE2-CG2 3.45Å; F315-I319 VanDerWaalsContact CE2-CG2 3.45Å; F315-I319 HydrophobicContact CZ-CD1 3.95Å; F315-I319 HydrophobicContact CZ-CG2 3.73Å; F315-I319 WeakPolarHBondContact O-CG1 3.27Å; F315-I319 PolarHBondContact O-N 2.96Å
316	L	97.1	Very high	94.2	Very high	8 Å²	8	59 Å²	59	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-58.6	-44.3	177.7	-73.1	165.7	0	0	0	111.7	I261 I264 L276 F279 E312 I319 I320	I261-L316 HydrophobicContact CD1-CD1 4.23Å; I261-L316 HydrophobicContact CD1-CD2 4.11Å; I261-L316 HydrophobicContact CD1-CG 4.07Å; I264-L316 HydrophobicContact CD1-CD2 3.54Å; L276-L316 HydrophobicContact CD1-CD2 3.8Å; F279-L316 HydrophobicContact CB-CD1 4.1Å; F279-L316 HydrophobicContact CB-CD2 4.38Å; F279-L316 HydrophobicContact CD1-CD1 4.15Å; F279-L316 HydrophobicContact CD1-CD2 4.19Å; F279-L316 HydrophobicContact CG-CD2 4.46Å; E312-L316 WeakPolarHBondContact O-CB 3.2Å; E312-L316 VanDerWaalsContact O-CG 3.23Å; E312-L316 WeakPolarHBondContact O-CG 3.43Å; E312-L316 PolarHBondContact O-N 2.84Å; L316-I319 HydrophobicContact CD2-CD1 4.36Å; L316-I319 VanDerWaalsContact O-CG1 3.28Å; L316-I319 WeakPolarHBondContact O-CG1 3.42Å; L316-I320 WeakPolarHBondContact O-CB 3.43Å; L316-I320 VanDerWaalsContact O-CD1 3.27Å; L316-I320 WeakPolarHBondContact O-CD1 3.36Å; L316-I320 WeakPolarHBondContact O-CG1 3.04Å; L316-I320 PolarHBondContact O-N 3.19Å; L316-I320 VanDerWaalsContact O-N 3.15Å
317	K	95.7	Very high	94.8	Very high	116 Å²	116	54.7 Å²	54.7	50%	0.504	28%	0.278	S	S	.	.	H	α-helix	trans	-58.8	-49	175.7	-177.8	-179.9	174.4	-176.7	0	111.1	Q313 L314 F315 I319 I320 E321	Q313-K317 VanDerWaalsContact O-CB 3.27Å; Q313-K317 WeakPolarHBondContact O-CB 3.24Å; Q313-K317 PolarHBondContact O-N 3.11Å; L314-K317 PolarHBondContact O-N 3.47Å; F315-K317 VanDerWaalsContact C-N 3.32Å; F315-K317 PolarHBondContact O-N 3.32Å; K317-I319 PolarHBondContact O-N 3.49Å; K317-I320 PolarHBondContact O-N 2.84Å; K317-E321 WeakPolarHBondContact CE-OE1 3.4Å; K317-E321 WeakPolarHBondContact CE-OE2 3.49Å; K317-E321 HydrophobicContact CG-CG 4.3Å; K317-E321 IonicContact NZ-OE1 3.68Å; K317-E321 WeakPolarHBondContact O-CB 3.31Å; K317-E321 WeakPolarHBondContact O-CG 3.5Å; K317-E321 PolarHBondContact O-N 3.44Å
318	D	97.2	Very high	95.3	Very high	59 Å²	59	53.8 Å²	53.8	32%	0.316	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-47.4	-178.8	-176	73.9	0	0	0	112.6	L314 F315 I320 E321 K322	L314-D318 WeakPolarHBondContact O-CB 3.48Å; L314-D318 PolarHBondContact O-N 2.95Å; F315-D318 PolarHBondContact O-N 3.2Å; D318-I320 VanDerWaalsContact C-N 3.3Å; D318-I320 PolarHBondContact O-N 3.44Å; D318-E321 PolarHBondContact O-N 3.03Å; D318-K322 WeakPolarHBondContact O-CB 2.77Å; D318-K322 WeakPolarHBondContact O-CG 3.21Å; D318-K322 PolarHBondContact O-N 2.99Å; D318-K322 WeakPolarHBondContact OD1-CE 3.46Å; D318-K322 IonicContact OD1-NZ 2.65Å; D318-K322 PolarHBondContact OD1-NZ 2.64Å; D318-K322 WeakPolarHBondContact OD2-CE 3.28Å; D318-K322 IonicContact OD2-NZ 3.84Å; D318-K322 PolarHBondContact OD2-NZ 3.29Å
319	I	97.8	Very high	95.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-69.5	-28.4	-179	65.3	171.7	0	0	0	112.9	L54 F268 L276 F315 L316 K317 L324 V325	L54-I319 HydrophobicContact CD1-CG2 3.97Å; F268-I319 HydrophobicContact CZ-CD1 4.18Å; L276-I319 HydrophobicContact CD1-CD1 4.33Å; F315-I319 HydrophobicContact CD2-CG2 3.99Å; F315-I319 HydrophobicContact CE1-CD1 3.89Å; F315-I319 HydrophobicContact CE1-CG2 4.48Å; F315-I319 HydrophobicContact CE2-CG2 3.45Å; F315-I319 VanDerWaalsContact CE2-CG2 3.45Å; F315-I319 HydrophobicContact CZ-CD1 3.95Å; F315-I319 HydrophobicContact CZ-CG2 3.73Å; F315-I319 WeakPolarHBondContact O-CG1 3.27Å; F315-I319 PolarHBondContact O-N 2.96Å; L316-I319 HydrophobicContact CD2-CD1 4.36Å; L316-I319 VanDerWaalsContact O-CG1 3.28Å; L316-I319 WeakPolarHBondContact O-CG1 3.42Å; K317-I319 PolarHBondContact O-N 3.49Å; I319-L324 HydrophobicContact CB-CB 4.26Å; I319-L324 HydrophobicContact CB-CD1 4.32Å; I319-L324 HydrophobicContact CG2-CD1 4.18Å; I319-L324 WeakPolarHBondContact O-CB 3.28Å; I319-L324 PolarHBondContact O-N 3.07Å; I319-V325 HydrophobicContact CB-CG2 4.31Å; I319-V325 HydrophobicContact CD1-CG1 4.12Å; I319-V325 HydrophobicContact CD1-CG2 3.72Å; I319-V325 HydrophobicContact CG1-CG2 3.71Å; I319-V325 PolarHBondContact O-N 3.36Å
320	I	96.6	Very high	95.2	Very high	27 Å²	27	56.1 Å²	56.1	14%	0.138	28%	0.283	C	S	.	.	H	α-helix	trans	-74.8	-49	175.4	-69.6	165.1	0	0	0	110	L316 K317 D318 K322 N323 V325 N327 Q330	L316-I320 WeakPolarHBondContact O-CB 3.43Å; L316-I320 VanDerWaalsContact O-CD1 3.27Å; L316-I320 WeakPolarHBondContact O-CD1 3.36Å; L316-I320 WeakPolarHBondContact O-CG1 3.04Å; L316-I320 PolarHBondContact O-N 3.19Å; L316-I320 VanDerWaalsContact O-N 3.15Å; K317-I320 PolarHBondContact O-N 2.84Å; D318-I320 VanDerWaalsContact C-N 3.3Å; D318-I320 PolarHBondContact O-N 3.44Å; I320-K322 PolarHBondContact O-N 3.44Å; I320-N323 PolarHBondContact O-N 3.44Å; I320-V325 HydrophobicContact CG1-CG2 3.75Å; I320-N327 HydrophobicContact CD1-CB 3.83Å; I320-N327 HydrophobicContact CG1-CB 4.19Å; I320-N327 HydrophobicContact CG2-CB 4.41Å; I320-Q330 VanDerWaalsContact CG2-NE2 3.33Å
321	E	96.9	Very high	93.7	Very high	126 Å²	126	60.4 Å²	60.4	59%	0.589	30%	0.303	S	S	*	.	H	α-helix	trans	-62.7	-31.4	179.9	-73.6	179	162.1	0	0	112.3	K317 D318 N323	K317-E321 WeakPolarHBondContact CE-OE1 3.4Å; K317-E321 WeakPolarHBondContact CE-OE2 3.49Å; K317-E321 HydrophobicContact CG-CG 4.3Å; K317-E321 IonicContact NZ-OE1 3.68Å; K317-E321 WeakPolarHBondContact O-CB 3.31Å; K317-E321 WeakPolarHBondContact O-CG 3.5Å; K317-E321 PolarHBondContact O-N 3.44Å; D318-E321 PolarHBondContact O-N 3.03Å; E321-N323 PolarHBondContact O-N 3.09Å
322	K	97.5	Very high	93.8	Very high	120 Å²	120	62.4 Å²	62.4	52%	0.522	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	4.8	173.8	-70.2	174.5	-178.3	163.1	0	114.1	D318 I320 L324	D318-K322 WeakPolarHBondContact O-CB 2.77Å; D318-K322 WeakPolarHBondContact O-CG 3.21Å; D318-K322 PolarHBondContact O-N 2.99Å; D318-K322 WeakPolarHBondContact OD1-CE 3.46Å; D318-K322 IonicContact OD1-NZ 2.65Å; D318-K322 PolarHBondContact OD1-NZ 2.64Å; D318-K322 WeakPolarHBondContact OD2-CE 3.28Å; D318-K322 IonicContact OD2-NZ 3.84Å; D318-K322 PolarHBondContact OD2-NZ 3.29Å; I320-K322 PolarHBondContact O-N 3.44Å; K322-L324 HydrophobicContact CB-CD1 4.3Å; K322-L324 HydrophobicContact CB-CD2 4.25Å; K322-L324 HydrophobicContact CB-CG 3.82Å; K322-L324 PolarHBondContact O-N 3.2Å
323	N	96.5	Very high	93.7	Very high	134 Å²	134	65.5 Å²	65.5	72%	0.717	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	31.3	-177	-58.1	-64.7	0	0	0	113.6	I320 E321 V325	I320-N323 PolarHBondContact O-N 3.44Å; E321-N323 PolarHBondContact O-N 3.09Å; N323-V325 VanDerWaalsContact C-N 3.32Å
324	L	97.9	Very high	93.8	Very high	25 Å²	25	66.6 Å²	66.6	13%	0.131	33%	0.331	C	S	.	.	S	Bend	trans	-77.5	-27	175.2	-52.5	-175.1	0	0	0	110.9	A50 F51 L54 I319 K322	A50-L324 HydrophobicContact CB-CD2 4.3Å; A50-L324 WeakPolarHBondContact O-CD2 3.42Å; F51-L324 HydrophobicContact CB-CB 4.22Å; F51-L324 WeakPolarHBondContact CD1-O 3.42Å; L54-L324 HydrophobicContact CD1-CD1 3.83Å; L54-L324 HydrophobicContact CD2-CD1 4.3Å; L54-L324 HydrophobicContact CG-CD1 4.14Å; I319-L324 HydrophobicContact CB-CB 4.26Å; I319-L324 HydrophobicContact CB-CD1 4.32Å; I319-L324 HydrophobicContact CG2-CD1 4.18Å; I319-L324 WeakPolarHBondContact O-CB 3.28Å; I319-L324 PolarHBondContact O-N 3.07Å; K322-L324 HydrophobicContact CB-CD1 4.3Å; K322-L324 HydrophobicContact CB-CD2 4.25Å; K322-L324 HydrophobicContact CB-CG 3.82Å; K322-L324 PolarHBondContact O-N 3.2Å
325	V	98	Very high	93.7	Very high	6 Å²	6	63.9 Å²	63.9	4%	0.036	32%	0.316	C	S	.	.	S	Bend	trans	-138.3	160.2	175.9	-60.2	0	0	0	0	110	F268 V274 L276 I319 I320 N323	F268-V325 HydrophobicContact CE1-CG1 3.57Å; F268-V325 HydrophobicContact CZ-CG1 3.89Å; V274-V325 HydrophobicContact CB-CG1 4.1Å; V274-V325 HydrophobicContact CG1-CG1 4.13Å; V274-V325 WeakPolarHBondContact O-CA 3.45Å; V274-V325 WeakPolarHBondContact O-CB 3.48Å; L276-V325 HydrophobicContact CD1-CB 4.44Å; L276-V325 HydrophobicContact CD1-CG2 3.78Å; L276-V325 HydrophobicContact CG-CB 4.35Å; L276-V325 HydrophobicContact CG-CG2 4.17Å; I319-V325 HydrophobicContact CB-CG2 4.31Å; I319-V325 HydrophobicContact CD1-CG1 4.12Å; I319-V325 HydrophobicContact CD1-CG2 3.72Å; I319-V325 HydrophobicContact CG1-CG2 3.71Å; I319-V325 PolarHBondContact O-N 3.36Å; I320-V325 HydrophobicContact CG1-CG2 3.75Å; N323-V325 VanDerWaalsContact C-N 3.32Å
326	I	97.7	Very high	93.5	Very high	84 Å²	84	66.8 Å²	66.8	43%	0.431	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.6	174.9	-67.1	166.7	0	0	0	109.3	V274 H275 L276 L328	V274-I326 PolarHBondContact O-N 3.45Å; V274-I326 VanDerWaalsContact O-N 3.14Å; H275-I326 CarbonylContact C-O 3.48Å; H275-I326 WeakPolarHBondContact CA-O 3.48Å; H275-I326 VanDerWaalsContact CE1-CD1 3.4Å; H275-I326 WeakPolarHBondContact CE1-CD1 3.35Å; H275-I326 WeakPolarHBondContact ND1-CG2 3.44Å; H275-I326 WeakPolarHBondContact NE2-CD1 3.47Å; L276-I326 PolarHBondContact N-O 2.99Å; I326-L328 HydrophobicContact CG2-CD2 4.35Å
327	N	97.2	Very high	93.2	Very high	27 Å²	27	70.7 Å²	70.7	14%	0.144	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111.1	177.1	-177.3	5.5	0	0	0	110.6	L276 I320 T329 Q330	L276-N327 PolarHBondContact O-OD1 3.39Å; I320-N327 HydrophobicContact CD1-CB 3.83Å; I320-N327 HydrophobicContact CG1-CB 4.19Å; I320-N327 HydrophobicContact CG2-CB 4.41Å; N327-T329 PolarHBondContact O-N 3.16Å; N327-T329 PolarHBondContact OD1-N 2.87Å; N327-Q330 HydrophobicContact CB-CG 4Å
328	L	97.2	Very high	93.1	Very high	30 Å²	30	67.5 Å²	67.5	16%	0.157	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-10.5	179.6	-60.7	179	0	0	0	113.5	V119 L132 K135 Y139 H275 L276 A277 I326	V119-L328 HydrophobicContact CG2-CD1 3.88Å; L132-L328 HydrophobicContact CD1-CB 4.35Å; L132-L328 HydrophobicContact CD2-CB 4.44Å; K135-L328 HydrophobicContact CG-CD1 4.44Å; Y139-L328 HydrophobicContact CE2-CD1 4.08Å; H275-L328 HydrophobicContact CB-CD1 4.14Å; H275-L328 HydrophobicContact CB-CG 4.17Å; L276-L328 PolarHBondContact O-N 3.26Å; A277-L328 HydrophobicContact CB-CB 4.41Å; I326-L328 HydrophobicContact CG2-CD2 4.35Å
329	T	93.9	Very high	92.7	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.018	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	20.5	179.8	-29.9	0	0	0	0	112.9	V126 K130 A277 G278 N327	V126-T329 HydrophobicContact CB-CG2 4.19Å; V126-T329 HydrophobicContact CG1-CG2 3.82Å; V126-T329 HydrophobicContact CG2-CG2 3.55Å; K130-T329 HydrophobicContact CG-CG2 4.45Å; A277-T329 WeakPolarHBondContact CA-OG1 3.47Å; G278-T329 PolarHBondContact N-OG1 2.9Å; N327-T329 PolarHBondContact O-N 3.16Å; N327-T329 PolarHBondContact OD1-N 2.87Å
330	Q	79.9	Confident	92.3	Very high	119 Å²	119	73.8 Å²	73.8	56%	0.556	37%	0.369	S	S	*	.			trans	-73.8	143.1	159.1	-70.1	-178.6	-14.1	0	0	108.6	I320 N327	I320-Q330 VanDerWaalsContact CG2-NE2 3.33Å; N327-Q330 HydrophobicContact CB-CG 4Å
331	D	58.6	Low	91.9	Very high	185 Å²	185	78.1 Å²	78.1	99%	0.989	39%	0.39	S	S	*	.			trans	-71.2	0	-179.3	-64	-50.1	0	0	0	112	K130	K130-D331 IonicContact NZ-OD1 2.84Å; K130-D331 PolarHBondContact NZ-OD1 3.24Å

Retrieved 331 of 331 residues in 293.7 ms (Link to these results)

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