A0A077ZI28_TRITR Loading...

Zf-C2H2 4 and zf-C2H2 and zf-H2C2 2 domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZI28, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.2	Low	54.5	Low	171 Å²	171	91.9 Å²	91.9	84%	0.842	49%	0.489	S	S	*	.				0	158.5	0	-72.2	-170.9	-160.6	0	0	110	A8 L15	M1-A8 HydrophobicContact CG-CB 4.3Å; M1-L15 WeakPolarHBondContact O-CD2 3.36Å
2	C	52.2	Low	55.8	Low	10 Å²	10	97.8 Å²	97.8	7%	0.068	51%	0.507	C	S	.	.			trans	-78.2	130.8	170	178.5	0	0	0	0	111.9	L4 C5 C7 F9 L15 H18 M19 H22	C2-L4 PolarHBondContact O-N 3.19Å; C2-L4 PolarHBondContact SG-N 3.4Å; C2-C5 WeakPolarHBondContact CB-O 3.43Å; C2-C7 WeakPolarHBondContact CB-O 3.35Å; C2-C7 PolarHBondContact N-O 3.06Å; C2-F9 HydrophobicContact CB-CE2 4.38Å; C2-L15 VanDerWaalsContact CA-CD1 3.48Å; C2-L15 HydrophobicContact CB-CD1 3.79Å; C2-H18 VanDerWaalsContact CB-CD2 3.43Å; C2-H18 WeakPolarHBondContact CB-CD2 3.4Å; C2-H18 VanDerWaalsContact CB-NE2 3.34Å; C2-H18 WeakPolarHBondContact CB-NE2 3.47Å; C2-H18 PolarHBondContact SG-CD2 3.44Å; C2-H18 PolarHBondContact SG-NE2 3.02Å; C2-M19 PolarHBondContact SG-SD 3.15Å; C2-H22 PolarHBondContact SG-CD2 2.98Å; C2-H22 PolarHBondContact SG-NE2 3.04Å; C2-H22 VanDerWaalsContact SG-NE2 3.35Å
3	P	64.4	Low	56.9	Low	104 Å²	104	99.1 Å²	99.1	68%	0.675	51%	0.51	S	S	*	.	S	Bend	trans	-71.3	-10.3	175.9	28	-36.1	0	0	0	114.3	M19	P3-M19 VanDerWaalsContact CD-SD 3.55Å; P3-M19 HydrophobicContact CG-CE 3.61Å; P3-M19 HydrophobicContact CG-SD 3.85Å
4	L	63.7	Low	57	Low	92 Å²	92	94.1 Å²	94.1	48%	0.482	49%	0.488	S	S	.	.	S	Bend	trans	-112.9	-9	-175.9	-61.5	173.1	0	0	0	113.3	C2 M19 H22	C2-L4 PolarHBondContact O-N 3.19Å; C2-L4 PolarHBondContact SG-N 3.4Å; L4-M19 HydrophobicContact CD1-CE 3.62Å; L4-M19 HydrophobicContact CG-CE 4.11Å; L4-H22 HydrophobicContact CB-CB 3.99Å; L4-H22 VanDerWaalsContact CB-CG 3.5Å; L4-H22 HydrophobicContact CD1-CB 3.36Å; L4-H22 HydrophobicContact CG-CB 4.3Å
5	C	60.4	Low	57.5	Low	27 Å²	27	90.5 Å²	90.5	18%	0.182	47%	0.469	C	S	.	.	S	Bend	trans	-160.6	170.8	168.5	73.2	0	0	0	0	112.8	C2 C7 H18 H22	C2-C5 WeakPolarHBondContact CB-O 3.43Å; C5-C7 PolarHBondContact O-N 3.4Å; C5-C7 VanDerWaalsContact SG-CB 3.55Å; C5-C7 PolarHBondContact SG-SG 3.33Å; C5-H18 PolarHBondContact SG-CE1 2.79Å; C5-H18 PolarHBondContact SG-NE2 3.24Å; C5-H22 VanDerWaalsContact SG-CE1 3.54Å; C5-H22 PolarHBondContact SG-NE2 3.25Å
6	D	53.9	Low	58.3	Low	122 Å²	122	87.8 Å²	87.8	65%	0.652	46%	0.464	S	S	*	.	S	Bend	trans	-74.9	18.5	-176.4	-49.3	-38.1	0	0	0	114.1	A8	D6-A8 PolarHBondContact O-N 3.08Å
7	C	48.1	Very low	58.7	Low	54 Å²	54	85 Å²	85	37%	0.365	45%	0.447	S	S	.	.			trans	-79.4	110.2	176.7	-66.5	0	0	0	0	109.2	C2 C5 F9	C2-C7 WeakPolarHBondContact CB-O 3.35Å; C2-C7 PolarHBondContact N-O 3.06Å; C5-C7 PolarHBondContact O-N 3.4Å; C5-C7 VanDerWaalsContact SG-CB 3.55Å; C5-C7 PolarHBondContact SG-SG 3.33Å; C7-F9 HydrophobicContact CB-CD2 4.27Å; C7-F9 HydrophobicContact CB-CE2 3.27Å; C7-F9 HydrophobicContact CB-CZ 3.53Å; C7-F9 WeakPolarHBondContact O-CD2 3.06Å; C7-F9 WeakPolarHBondContact O-CE2 3.39Å
8	A	47.4	Very low	59	Low	76 Å²	76	81.8 Å²	81.8	63%	0.628	43%	0.429	S	S	*	.			trans	-81.5	132.2	166.1	0	0	0	0	0	109.5	M1 D6	M1-A8 HydrophobicContact CG-CB 4.3Å; D6-A8 PolarHBondContact O-N 3.08Å
9	F	50.9	Low	59.3	Low	64 Å²	64	80.5 Å²	80.5	28%	0.281	42%	0.422	S	S	.	.			trans	-121.4	134.7	172	-61.5	-85.4	0	0	0	107.2	C2 C7 C14 L15 H18	C2-F9 HydrophobicContact CB-CE2 4.38Å; C7-F9 HydrophobicContact CB-CD2 4.27Å; C7-F9 HydrophobicContact CB-CE2 3.27Å; C7-F9 HydrophobicContact CB-CZ 3.53Å; C7-F9 WeakPolarHBondContact O-CD2 3.06Å; C7-F9 WeakPolarHBondContact O-CE2 3.39Å; F9-C14 HydrophobicContact CB-CB 3.96Å; F9-C14 HydrophobicContact CD1-CB 3.76Å; F9-C14 HydrophobicContact CG-CB 4.16Å; F9-L15 HydrophobicContact CB-CB 4.05Å; F9-L15 HydrophobicContact CD2-CB 4.22Å; F9-L15 HydrophobicContact CD2-CD1 3.96Å; F9-L15 HydrophobicContact CG-CB 4.36Å; F9-H18 HydrophobicContact CD1-CB 4.5Å; F9-H18 HydrophobicContact CD2-CB 4.11Å; F9-H18 HydrophobicContact CE1-CB 3.83Å; F9-H18 HydrophobicContact CE2-CB 3.4Å; F9-H18 AromaticContact CE2-CD2 3.22Å; F9-H18 WeakPolarHBondContact CE2-CD2 3.44Å; F9-H18 AromaticContact CE2-CE1 3.95Å; F9-H18 AromaticContact CE2-CG 3.1Å; F9-H18 AromaticContact CE2-ND1 3.62Å; F9-H18 AromaticContact CE2-NE2 3.74Å; F9-H18 HydrophobicContact CZ-CB 3.25Å; F9-H18 AromaticContact CZ-CD2 3.74Å; F9-H18 AromaticContact CZ-CE1 3.89Å; F9-H18 AromaticContact CZ-CG 3.1Å; F9-H18 AromaticContact CZ-ND1 3.26Å; F9-H18 VanDerWaalsContact CZ-ND1 3.26Å; F9-H18 WeakPolarHBondContact CZ-ND1 3.44Å
10	Y	50	Low	59.8	Low	201 Å²	201	79.9 Å²	79.9	79%	0.788	41%	0.413	S	S	*	.	S	Bend	trans	-74.7	-29.8	178.5	61	-84	0	0	0	111.4
11	E	55.1	Low	59.9	Low	90 Å²	90	78.9 Å²	78.9	42%	0.421	41%	0.413	S	S	.	.	S	Bend	trans	-105	140	176.4	-81.6	168	-172.4	0	0	112.9	E13 C14 L15	E11-E13 VanDerWaalsContact C-N 3.26Å; E11-E13 PolarHBondContact O-N 2.72Å; E11-C14 HydrophobicContact CB-CB 3.98Å; E11-C14 WeakPolarHBondContact O-CB 3.26Å; E11-C14 PolarHBondContact O-N 3.44Å; E11-C14 PolarHBondContact OE2-SG 2.85Å; E11-L15 PolarHBondContact O-N 3.4Å
12	K	70.3	Confident	60.4	Low	162 Å²	162	74.1 Å²	74.1	70%	0.704	39%	0.389	S	S	*	.	H	α-helix	trans	-60.5	-34.6	172.1	-172.5	177.1	-179.2	176.5	0	112.1	L15 A16	K12-L15 PolarHBondContact O-N 3.41Å; K12-A16 WeakPolarHBondContact O-CB 3.34Å; K12-A16 PolarHBondContact O-N 2.93Å
13	E	70.3	Confident	60.7	Low	115 Å²	115	77 Å²	77	54%	0.537	42%	0.421	S	S	.	.	H	α-helix	trans	-66.6	-43.5	176.4	-167.8	-175.7	155.8	0	0	111.4	E11 L15 A16 K17	E11-E13 VanDerWaalsContact C-N 3.26Å; E11-E13 PolarHBondContact O-N 2.72Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 3.19Å; E13-A16 PolarHBondContact O-N 3.49Å; E13-K17 HydrophobicContact CG-CD 4.44Å; E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 WeakPolarHBondContact O-CG 3.46Å; E13-K17 PolarHBondContact O-N 3.45Å; E13-K17 WeakPolarHBondContact OE1-CE 3.29Å; E13-K17 IonicContact OE1-NZ 3.27Å; E13-K17 PolarHBondContact OE1-NZ 3.09Å
14	C	58.7	Low	60.6	Low	30 Å²	30	73.6 Å²	73.6	20%	0.203	40%	0.404	C	S	.	.	H	α-helix	trans	-61.4	-42.1	174.1	-75.5	0	0	0	0	111.7	F9 E11 K17 H18	F9-C14 HydrophobicContact CB-CB 3.96Å; F9-C14 HydrophobicContact CD1-CB 3.76Å; F9-C14 HydrophobicContact CG-CB 4.16Å; E11-C14 HydrophobicContact CB-CB 3.98Å; E11-C14 WeakPolarHBondContact O-CB 3.26Å; E11-C14 PolarHBondContact O-N 3.44Å; E11-C14 PolarHBondContact OE2-SG 2.85Å; C14-K17 PolarHBondContact O-N 2.87Å; C14-H18 VanDerWaalsContact O-CB 3.26Å; C14-H18 WeakPolarHBondContact O-CB 3.48Å; C14-H18 PolarHBondContact O-N 3.36Å
15	L	63.7	Low	60.5	Low	39 Å²	39	76.6 Å²	76.6	20%	0.204	42%	0.42	C	S	.	.	H	α-helix	trans	-60.6	-48.3	172.2	175.4	56.9	0	0	0	111.5	M1 C2 F9 E11 K12 E13 K17 H18 M19	M1-L15 WeakPolarHBondContact O-CD2 3.36Å; C2-L15 VanDerWaalsContact CA-CD1 3.48Å; C2-L15 HydrophobicContact CB-CD1 3.79Å; F9-L15 HydrophobicContact CB-CB 4.05Å; F9-L15 HydrophobicContact CD2-CB 4.22Å; F9-L15 HydrophobicContact CD2-CD1 3.96Å; F9-L15 HydrophobicContact CG-CB 4.36Å; E11-L15 PolarHBondContact O-N 3.4Å; K12-L15 PolarHBondContact O-N 3.41Å; E13-L15 VanDerWaalsContact C-N 3.33Å; E13-L15 PolarHBondContact O-N 3.19Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 3.41Å; L15-H18 CarbonylContact O-C 3.52Å; L15-H18 WeakPolarHBondContact O-CB 3.44Å; L15-H18 PolarHBondContact O-N 3.43Å; L15-H18 VanDerWaalsContact O-N 3.15Å; L15-M19 HydrophobicContact CD1-CG 4.17Å; L15-M19 HydrophobicContact CD1-SD 4.28Å; L15-M19 HydrophobicContact CG-CG 4.46Å; L15-M19 VanDerWaalsContact O-CG 3.29Å; L15-M19 WeakPolarHBondContact O-CG 3.36Å; L15-M19 PolarHBondContact O-N 2.89Å
16	A	70.2	Confident	61.3	Low	48 Å²	48	78.2 Å²	78.2	40%	0.397	43%	0.427	S	S	.	.	H	α-helix	trans	-61.5	-40.1	179.2	0	0	0	0	0	112.7	K12 E13 M19	K12-A16 WeakPolarHBondContact O-CB 3.34Å; K12-A16 PolarHBondContact O-N 2.93Å; E13-A16 PolarHBondContact O-N 3.49Å; A16-M19 PolarHBondContact O-N 2.73Å
17	K	65.1	Low	62.2	Low	40 Å²	40	75.2 Å²	75.2	17%	0.174	41%	0.408	C	S	.	.	H	α-helix	trans	-63.6	-43.7	172.9	-74.5	172.8	-178.7	170.5	0	111.3	E13 C14 L15 M19 R20 D38	E13-K17 HydrophobicContact CG-CD 4.44Å; E13-K17 WeakPolarHBondContact O-CB 3.43Å; E13-K17 WeakPolarHBondContact O-CG 3.46Å; E13-K17 PolarHBondContact O-N 3.45Å; E13-K17 WeakPolarHBondContact OE1-CE 3.29Å; E13-K17 IonicContact OE1-NZ 3.27Å; E13-K17 PolarHBondContact OE1-NZ 3.09Å; C14-K17 PolarHBondContact O-N 2.87Å; L15-K17 VanDerWaalsContact C-N 3.35Å; L15-K17 PolarHBondContact O-N 3.41Å; K17-M19 VanDerWaalsContact C-N 3.34Å; K17-R20 WeakPolarHBondContact O-CB 3.39Å; K17-R20 PolarHBondContact O-N 3.39Å; K17-D38 WeakPolarHBondContact CD-OD2 3.22Å; K17-D38 VanDerWaalsContact CE-OD2 3.25Å; K17-D38 WeakPolarHBondContact CE-OD2 3.48Å; K17-D38 IonicContact NZ-OD2 2.89Å; K17-D38 PolarHBondContact NZ-OD2 3.41Å
18	H	64.7	Low	63.6	Low	27 Å²	27	75.3 Å²	75.3	13%	0.125	41%	0.413	C	S	.	.	H	α-helix	trans	-65	-36.7	176.3	169.7	79.5	0	0	0	112.7	C2 C5 F9 C14 L15 R20 S21 H22	C2-H18 VanDerWaalsContact CB-CD2 3.43Å; C2-H18 WeakPolarHBondContact CB-CD2 3.4Å; C2-H18 VanDerWaalsContact CB-NE2 3.34Å; C2-H18 WeakPolarHBondContact CB-NE2 3.47Å; C2-H18 PolarHBondContact SG-CD2 3.44Å; C2-H18 PolarHBondContact SG-NE2 3.02Å; C5-H18 PolarHBondContact SG-CE1 2.79Å; C5-H18 PolarHBondContact SG-NE2 3.24Å; F9-H18 HydrophobicContact CD1-CB 4.5Å; F9-H18 HydrophobicContact CD2-CB 4.11Å; F9-H18 HydrophobicContact CE1-CB 3.83Å; F9-H18 HydrophobicContact CE2-CB 3.4Å; F9-H18 AromaticContact CE2-CD2 3.22Å; F9-H18 WeakPolarHBondContact CE2-CD2 3.44Å; F9-H18 AromaticContact CE2-CE1 3.95Å; F9-H18 AromaticContact CE2-CG 3.1Å; F9-H18 AromaticContact CE2-ND1 3.62Å; F9-H18 AromaticContact CE2-NE2 3.74Å; F9-H18 HydrophobicContact CZ-CB 3.25Å; F9-H18 AromaticContact CZ-CD2 3.74Å; F9-H18 AromaticContact CZ-CE1 3.89Å; F9-H18 AromaticContact CZ-CG 3.1Å; F9-H18 AromaticContact CZ-ND1 3.26Å; F9-H18 VanDerWaalsContact CZ-ND1 3.26Å; F9-H18 WeakPolarHBondContact CZ-ND1 3.44Å; C14-H18 VanDerWaalsContact O-CB 3.26Å; C14-H18 WeakPolarHBondContact O-CB 3.48Å; C14-H18 PolarHBondContact O-N 3.36Å; L15-H18 CarbonylContact O-C 3.52Å; L15-H18 WeakPolarHBondContact O-CB 3.44Å; L15-H18 PolarHBondContact O-N 3.43Å; L15-H18 VanDerWaalsContact O-N 3.15Å; H18-R20 PolarHBondContact O-N 3.28Å; H18-R20 VanDerWaalsContact O-N 3.15Å; H18-S21 WeakPolarHBondContact O-CA 3.25Å; H18-S21 VanDerWaalsContact O-CB 3.22Å; H18-S21 WeakPolarHBondContact O-CB 3.44Å; H18-S21 PolarHBondContact O-N 3.14Å; H18-S21 PolarHBondContact O-OG 3.39Å; H18-H22 AromaticContact CD2-CD2 3.93Å; H18-H22 AromaticContact CD2-NE2 3.83Å; H18-H22 AromaticContact CE1-NE2 3.35Å; H18-H22 PolarHBondContact CE1-NE2 3.27Å; H18-H22 AromaticContact NE2-CD2 3.43Å; H18-H22 PolarHBondContact NE2-CD2 3.48Å; H18-H22 AromaticContact NE2-NE2 2.89Å; H18-H22 PolarHBondContact NE2-NE2 2.97Å
19	M	65.6	Low	65.1	Low	57 Å²	57	72.2 Å²	72.2	28%	0.281	39%	0.386	S	S	.	.	H	α-helix	trans	-58.1	-29.5	175.9	-73	-54.6	-69.7	0	0	112.6	C2 P3 L4 L15 A16 K17 S21 H22	C2-M19 PolarHBondContact SG-SD 3.15Å; P3-M19 VanDerWaalsContact CD-SD 3.55Å; P3-M19 HydrophobicContact CG-CE 3.61Å; P3-M19 HydrophobicContact CG-SD 3.85Å; L4-M19 HydrophobicContact CD1-CE 3.62Å; L4-M19 HydrophobicContact CG-CE 4.11Å; L15-M19 HydrophobicContact CD1-CG 4.17Å; L15-M19 HydrophobicContact CD1-SD 4.28Å; L15-M19 HydrophobicContact CG-CG 4.46Å; L15-M19 VanDerWaalsContact O-CG 3.29Å; L15-M19 WeakPolarHBondContact O-CG 3.36Å; L15-M19 PolarHBondContact O-N 2.89Å; A16-M19 PolarHBondContact O-N 2.73Å; K17-M19 VanDerWaalsContact C-N 3.34Å; M19-S21 PolarHBondContact O-N 3.33Å; M19-H22 PolarHBondContact O-N 3.22Å
20	R	67.5	Low	66.4	Low	69 Å²	69	73.9 Å²	73.9	26%	0.26	41%	0.406	S	S	.	.	H	α-helix	trans	-64.8	-25.9	173.6	-52.3	-167.2	-159.8	118.4	-3.6	112.5	K17 H18 H22 G24 L26 T37 D38	K17-R20 WeakPolarHBondContact O-CB 3.39Å; K17-R20 PolarHBondContact O-N 3.39Å; H18-R20 PolarHBondContact O-N 3.28Å; H18-R20 VanDerWaalsContact O-N 3.15Å; R20-H22 VanDerWaalsContact C-N 3.25Å; R20-H22 PolarHBondContact O-N 3.31Å; R20-G24 PolarHBondContact O-N 3.35Å; R20-L26 HydrophobicContact CB-CD2 4.18Å; R20-L26 WeakPolarHBondContact O-CD2 3.16Å; R20-T37 WeakPolarHBondContact CD-O 3.46Å; R20-T37 PolarHBondContact NH1-O 3.43Å; R20-D38 IonicContact NH1-OD1 2.73Å
21	S	62.3	Low	67.5	Low	58 Å²	58	70.4 Å²	70.4	41%	0.406	40%	0.397	S	S	.	.	H	α-helix	trans	-68.8	-20.8	176	76.8	0	0	0	0	114	H18 M19 G23	H18-S21 WeakPolarHBondContact O-CA 3.25Å; H18-S21 VanDerWaalsContact O-CB 3.22Å; H18-S21 WeakPolarHBondContact O-CB 3.44Å; H18-S21 PolarHBondContact O-N 3.14Å; H18-S21 PolarHBondContact O-OG 3.39Å; M19-S21 PolarHBondContact O-N 3.33Å; S21-G23 VanDerWaalsContact C-N 3.34Å; S21-G23 PolarHBondContact O-N 2.93Å
22	H	63.7	Low	68.5	Low	71 Å²	71	67.9 Å²	67.9	33%	0.329	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	11.4	-179.4	-71.8	-63	0	0	0	114.8	C2 L4 C5 H18 M19 R20	C2-H22 PolarHBondContact SG-CD2 2.98Å; C2-H22 PolarHBondContact SG-NE2 3.04Å; C2-H22 VanDerWaalsContact SG-NE2 3.35Å; L4-H22 HydrophobicContact CB-CB 3.99Å; L4-H22 VanDerWaalsContact CB-CG 3.5Å; L4-H22 HydrophobicContact CD1-CB 3.36Å; L4-H22 HydrophobicContact CG-CB 4.3Å; C5-H22 VanDerWaalsContact SG-CE1 3.54Å; C5-H22 PolarHBondContact SG-NE2 3.25Å; H18-H22 AromaticContact CD2-CD2 3.93Å; H18-H22 AromaticContact CD2-NE2 3.83Å; H18-H22 AromaticContact CE1-NE2 3.35Å; H18-H22 PolarHBondContact CE1-NE2 3.27Å; H18-H22 AromaticContact NE2-CD2 3.43Å; H18-H22 PolarHBondContact NE2-CD2 3.48Å; H18-H22 AromaticContact NE2-NE2 2.89Å; H18-H22 PolarHBondContact NE2-NE2 2.97Å; M19-H22 PolarHBondContact O-N 3.22Å; R20-H22 VanDerWaalsContact C-N 3.25Å; R20-H22 PolarHBondContact O-N 3.31Å
23	G	59.8	Low	68.9	Low	72 Å²	72	68 Å²	68	74%	0.742	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	112.4	10.4	-178.3	0	0	0	0	0	114.2	S21	S21-G23 VanDerWaalsContact C-N 3.34Å; S21-G23 PolarHBondContact O-N 2.93Å
24	G	60.5	Low	69	Low	31 Å²	31	68.4 Å²	68.4	32%	0.32	40%	0.397	S	S	.	.	S	Bend	trans	-68.6	159.6	165.2	0	0	0	0	0	111.4	R20 L26	R20-G24 PolarHBondContact O-N 3.35Å; G24-L26 PolarHBondContact O-N 2.87Å
25	N	63.3	Low	70	Confident	155 Å²	155	73.8 Å²	73.8	83%	0.829	42%	0.417	S	S	*	.			trans	-51.1	99.2	176.3	-73.5	-26.6	0	0	0	110.8
26	L	77.3	Confident	70.3	Confident	62 Å²	62	73.9 Å²	73.9	33%	0.325	42%	0.416	S	S	.	.			trans	-73.6	147	173.3	-64.2	175.1	0	0	0	108.7	R20 G24 A28 K35 T37	R20-L26 HydrophobicContact CB-CD2 4.18Å; R20-L26 WeakPolarHBondContact O-CD2 3.16Å; G24-L26 PolarHBondContact O-N 2.87Å; L26-A28 PolarHBondContact O-N 3.38Å; L26-A28 VanDerWaalsContact O-N 3.12Å; L26-K35 HydrophobicContact CB-CB 3.74Å; L26-K35 HydrophobicContact CB-CD 4.48Å; L26-K35 HydrophobicContact CD1-CB 3.59Å; L26-K35 HydrophobicContact CD1-CD 4.22Å; L26-K35 HydrophobicContact CG-CB 4.31Å; L26-T37 HydrophobicContact CD2-CG2 3.65Å
27	F	72	Confident	70.2	Confident	58 Å²	58	73.9 Å²	73.9	25%	0.254	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	103	172	-63.9	-77.6	0	0	0	108.5	F36 R39 L42	F27-F36 PolarHBondContact N-O 3.37Å; F27-F36 WeakPolarHBondContact O-CD2 3.37Å; F27-F36 PolarHBondContact O-N 2.78Å; F27-R39 HydrophobicContact CD1-CB 4.3Å; F27-R39 HydrophobicContact CD2-CB 4.18Å; F27-R39 VanDerWaalsContact CD2-N 3.31Å; F27-R39 HydrophobicContact CE1-CB 4.04Å; F27-R39 HydrophobicContact CE1-CG 4.36Å; F27-R39 HydrophobicContact CE2-CB 3.91Å; F27-R39 HydrophobicContact CG-CB 4.37Å; F27-R39 HydrophobicContact CZ-CB 3.84Å; F27-L42 HydrophobicContact CB-CB 3.81Å; F27-L42 HydrophobicContact CB-CD2 3.68Å; F27-L42 HydrophobicContact CB-CG 4.27Å; F27-L42 HydrophobicContact CG-CD2 4.49Å
28	A	78.2	Confident	70.4	Confident	56 Å²	56	72.8 Å²	72.8	46%	0.463	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	143.4	174.4	0	0	0	0	0	110.4	L26 K35	L26-A28 PolarHBondContact O-N 3.38Å; L26-A28 VanDerWaalsContact O-N 3.12Å; A28-K35 HydrophobicContact CB-CG 4.27Å
29	C	77.1	Confident	70.8	Confident	11 Å²	11	79.1 Å²	79.1	7%	0.074	43%	0.43	C	S	.	.			trans	-71.5	137.8	164.8	-174.5	0	0	0	0	109.6	E31 C32 K34 F36 L42 H45 M46 H49	C29-E31 PolarHBondContact O-N 3.13Å; C29-E31 PolarHBondContact SG-N 2.9Å; C29-E31 VanDerWaalsContact SG-N 3.37Å; C29-C32 WeakPolarHBondContact CB-O 3.49Å; C29-K34 PolarHBondContact N-O 2.84Å; C29-F36 HydrophobicContact CB-CE2 4.41Å; C29-L42 HydrophobicContact CB-CD1 4.05Å; C29-H45 WeakPolarHBondContact CB-NE2 3.22Å; C29-H45 VanDerWaalsContact SG-CD2 3.51Å; C29-H45 PolarHBondContact SG-NE2 3.32Å; C29-M46 PolarHBondContact SG-SD 3.31Å; C29-H49 PolarHBondContact SG-CD2 3.21Å; C29-H49 PolarHBondContact SG-NE2 2.96Å
30	S	78.3	Confident	70.9	Confident	99 Å²	99	82.7 Å²	82.7	69%	0.692	45%	0.446	S	S	*	.	S	Bend	trans	-74.1	-17.2	175.2	54.3	0	0	0	0	112.9
31	E	74.4	Confident	70.8	Confident	128 Å²	128	83.4 Å²	83.4	60%	0.598	45%	0.451	S	S	*	.	S	Bend	trans	-111.8	-5.3	-171.7	-58	-70.1	152.7	0	0	112.8	C29 M46 H49	C29-E31 PolarHBondContact O-N 3.13Å; C29-E31 PolarHBondContact SG-N 2.9Å; C29-E31 VanDerWaalsContact SG-N 3.37Å; E31-M46 HydrophobicContact CG-CE 4.15Å; E31-H49 HydrophobicContact CB-CB 4.17Å; E31-H49 WeakPolarHBondContact CB-CE1 3.26Å; E31-H49 VanDerWaalsContact CB-CG 3.44Å; E31-H49 WeakPolarHBondContact CB-ND1 3.45Å; E31-H49 HydrophobicContact CG-CB 3.92Å
32	C	75.8	Confident	71.3	Confident	38 Å²	38	81.9 Å²	81.9	26%	0.257	44%	0.439	S	S	.	.	S	Bend	trans	-161.2	167.6	172.6	70.9	0	0	0	0	112.6	C29 K34 H45 H49	C29-C32 WeakPolarHBondContact CB-O 3.49Å; C32-K34 PolarHBondContact O-N 3.16Å; C32-H45 PolarHBondContact SG-NE2 3.49Å; C32-H49 PolarHBondContact SG-NE2 2.61Å
33	D	79.4	Confident	71.5	Confident	164 Å²	164	82.3 Å²	82.3	88%	0.877	44%	0.442	S	S	*	.	S	Bend	trans	-72	9.2	-175.9	-53.9	-44.6	0	0	0	115.4
34	K	70.9	Confident	71.7	Confident	123 Å²	123	83.2 Å²	83.2	54%	0.535	42%	0.423	S	S	.	.			trans	-77.9	130.6	-177.9	-68.4	-179.8	-177.6	176	0	111	C29 C32 F36	C29-K34 PolarHBondContact N-O 2.84Å; C32-K34 PolarHBondContact O-N 3.16Å; K34-F36 HydrophobicContact CB-CE2 3.67Å; K34-F36 HydrophobicContact CB-CZ 3.71Å; K34-F36 HydrophobicContact CD-CZ 4.3Å
35	K	79.2	Confident	72.2	Confident	143 Å²	143	82.5 Å²	82.5	62%	0.622	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.1	178.3	-61.7	-176.4	-177.2	-179.6	0	110.4	L26 A28	L26-K35 HydrophobicContact CB-CB 3.74Å; L26-K35 HydrophobicContact CB-CD 4.48Å; L26-K35 HydrophobicContact CD1-CB 3.59Å; L26-K35 HydrophobicContact CD1-CD 4.22Å; L26-K35 HydrophobicContact CG-CB 4.31Å; A28-K35 HydrophobicContact CB-CG 4.27Å
36	F	70.5	Confident	72.3	Confident	41 Å²	41	77.1 Å²	77.1	18%	0.18	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	141.8	-174.3	-59.1	-86.6	0	0	0	111.6	F27 C29 K34 D38 F41 L42 H45	F27-F36 PolarHBondContact N-O 3.37Å; F27-F36 WeakPolarHBondContact O-CD2 3.37Å; F27-F36 PolarHBondContact O-N 2.78Å; C29-F36 HydrophobicContact CB-CE2 4.41Å; K34-F36 HydrophobicContact CB-CE2 3.67Å; K34-F36 HydrophobicContact CB-CZ 3.71Å; K34-F36 HydrophobicContact CD-CZ 4.3Å; F36-D38 VanDerWaalsContact C-N 3.29Å; F36-D38 PolarHBondContact O-N 3.35Å; F36-F41 HydrophobicContact CB-CB 4.06Å; F36-F41 HydrophobicContact CD1-CB 3.88Å; F36-F41 HydrophobicContact CG-CB 4.25Å; F36-L42 HydrophobicContact CB-CB 4.3Å; F36-L42 HydrophobicContact CD2-CB 4.1Å; F36-L42 HydrophobicContact CD2-CD1 3.88Å; F36-L42 HydrophobicContact CE2-CD1 4.18Å; F36-L42 HydrophobicContact CG-CB 4.39Å; F36-H45 HydrophobicContact CD2-CB 4.47Å; F36-H45 HydrophobicContact CE1-CB 3.84Å; F36-H45 HydrophobicContact CE2-CB 3.72Å; F36-H45 AromaticContact CE2-CD2 3.17Å; F36-H45 WeakPolarHBondContact CE2-CD2 3.42Å; F36-H45 AromaticContact CE2-CG 3.43Å; F36-H45 VanDerWaalsContact CE2-CG 3.43Å; F36-H45 AromaticContact CE2-NE2 3.87Å; F36-H45 HydrophobicContact CZ-CB 3.35Å; F36-H45 AromaticContact CZ-CD2 3.38Å; F36-H45 WeakPolarHBondContact CZ-CD2 3.31Å; F36-H45 AromaticContact CZ-CG 3.12Å; F36-H45 AromaticContact CZ-ND1 3.65Å; F36-H45 AromaticContact CZ-NE2 3.95Å
37	T	69.2	Low	71.7	Confident	48 Å²	48	75.1 Å²	75.1	29%	0.294	38%	0.377	S	S	.	.	S	Bend	trans	-76.7	-17.3	178.7	50.8	0	0	0	0	113.1	R20 L26	R20-T37 WeakPolarHBondContact CD-O 3.46Å; R20-T37 PolarHBondContact NH1-O 3.43Å; L26-T37 HydrophobicContact CD2-CG2 3.65Å
38	D	67.7	Low	71.3	Confident	17 Å²	17	77.5 Å²	77.5	9%	0.091	40%	0.395	C	S	.	.	S	Bend	trans	-130.5	140.7	179.1	-161.5	-5.8	0	0	0	111.2	K17 R20 F36 Q40 F41 L42	K17-D38 WeakPolarHBondContact CD-OD2 3.22Å; K17-D38 VanDerWaalsContact CE-OD2 3.25Å; K17-D38 WeakPolarHBondContact CE-OD2 3.48Å; K17-D38 IonicContact NZ-OD2 2.89Å; K17-D38 PolarHBondContact NZ-OD2 3.41Å; R20-D38 IonicContact NH1-OD1 2.73Å; F36-D38 VanDerWaalsContact C-N 3.29Å; F36-D38 PolarHBondContact O-N 3.35Å; D38-Q40 PolarHBondContact O-N 3.3Å; D38-Q40 PolarHBondContact OD1-N 2.84Å; D38-F41 HydrophobicContact CB-CB 4.38Å; D38-F41 HydrophobicContact CB-CD2 3.41Å; D38-F41 VanDerWaalsContact CB-CD2 3.41Å; D38-F41 HydrophobicContact CB-CE2 3.97Å; D38-F41 HydrophobicContact CB-CG 4.14Å; D38-F41 WeakPolarHBondContact O-CB 3.22Å; D38-F41 PolarHBondContact O-N 3.49Å; D38-F41 VanDerWaalsContact O-N 3.08Å; D38-L42 PolarHBondContact O-N 3.15Å
39	R	73.6	Confident	70.8	Confident	161 Å²	161	78.2 Å²	78.2	61%	0.608	39%	0.389	S	S	*	.	H	α-helix	trans	-61.6	-34.9	175	-174.6	175.9	179.3	157	1	110.4	F27 F41 L42 I43	F27-R39 HydrophobicContact CD1-CB 4.3Å; F27-R39 HydrophobicContact CD2-CB 4.18Å; F27-R39 VanDerWaalsContact CD2-N 3.31Å; F27-R39 HydrophobicContact CE1-CB 4.04Å; F27-R39 HydrophobicContact CE1-CG 4.36Å; F27-R39 HydrophobicContact CE2-CB 3.91Å; F27-R39 HydrophobicContact CG-CB 4.37Å; F27-R39 HydrophobicContact CZ-CB 3.84Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 3.26Å; R39-L42 PolarHBondContact O-N 3.17Å; R39-I43 HydrophobicContact CG-CD1 4.01Å; R39-I43 HydrophobicContact CG-CG1 4.4Å; R39-I43 VanDerWaalsContact O-CG1 3.31Å; R39-I43 WeakPolarHBondContact O-CG1 3.24Å; R39-I43 PolarHBondContact O-N 2.6Å
40	Q	67.1	Low	69.9	Low	132 Å²	132	81.8 Å²	81.8	62%	0.617	41%	0.411	S	S	*	.	H	α-helix	trans	-62.8	-38.4	175.1	-65.1	-171.9	1.7	0	0	111.8	D38 I43 R44	D38-Q40 PolarHBondContact O-N 3.3Å; D38-Q40 PolarHBondContact OD1-N 2.84Å; Q40-I43 PolarHBondContact O-N 2.89Å; Q40-R44 WeakPolarHBondContact O-CB 3.41Å; Q40-R44 PolarHBondContact O-N 3.35Å
41	F	66.3	Low	68.8	Low	83 Å²	83	79.3 Å²	79.3	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-68.6	-39.3	174.6	-68.4	-46.7	0	0	0	112.3	F36 D38 R39 R44 H45	F36-F41 HydrophobicContact CB-CB 4.06Å; F36-F41 HydrophobicContact CD1-CB 3.88Å; F36-F41 HydrophobicContact CG-CB 4.25Å; D38-F41 HydrophobicContact CB-CB 4.38Å; D38-F41 HydrophobicContact CB-CD2 3.41Å; D38-F41 VanDerWaalsContact CB-CD2 3.41Å; D38-F41 HydrophobicContact CB-CE2 3.97Å; D38-F41 HydrophobicContact CB-CG 4.14Å; D38-F41 WeakPolarHBondContact O-CB 3.22Å; D38-F41 PolarHBondContact O-N 3.49Å; D38-F41 VanDerWaalsContact O-N 3.08Å; R39-F41 VanDerWaalsContact C-N 3.3Å; R39-F41 PolarHBondContact O-N 3.26Å; F41-R44 VanDerWaalsContact CD1-CZ 3.42Å; F41-R44 PolarHBondContact O-N 3.27Å; F41-H45 VanDerWaalsContact O-CB 3.28Å; F41-H45 WeakPolarHBondContact O-CB 3.32Å; F41-H45 PolarHBondContact O-N 2.68Å
42	L	72.2	Confident	67.8	Low	27 Å²	27	77.9 Å²	77.9	14%	0.141	40%	0.401	C	S	.	.	H	α-helix	trans	-60.3	-52.3	171.5	174	63.2	0	0	0	110.8	F27 C29 F36 D38 R39 R44 H45 M46	F27-L42 HydrophobicContact CB-CB 3.81Å; F27-L42 HydrophobicContact CB-CD2 3.68Å; F27-L42 HydrophobicContact CB-CG 4.27Å; F27-L42 HydrophobicContact CG-CD2 4.49Å; C29-L42 HydrophobicContact CB-CD1 4.05Å; F36-L42 HydrophobicContact CB-CB 4.3Å; F36-L42 HydrophobicContact CD2-CB 4.1Å; F36-L42 HydrophobicContact CD2-CD1 3.88Å; F36-L42 HydrophobicContact CE2-CD1 4.18Å; F36-L42 HydrophobicContact CG-CB 4.39Å; D38-L42 PolarHBondContact O-N 3.15Å; R39-L42 PolarHBondContact O-N 3.17Å; L42-R44 PolarHBondContact O-N 3.17Å; L42-H45 CarbonylContact O-C 3.42Å; L42-H45 WeakPolarHBondContact O-CA 3.46Å; L42-H45 WeakPolarHBondContact O-CB 3.21Å; L42-H45 PolarHBondContact O-N 3.4Å; L42-M46 HydrophobicContact CD1-CG 4.1Å; L42-M46 HydrophobicContact CD1-SD 3.93Å; L42-M46 HydrophobicContact CG-CG 4.24Å; L42-M46 WeakPolarHBondContact O-CG 3.46Å; L42-M46 PolarHBondContact O-N 3.36Å
43	I	69.3	Low	66.7	Low	79 Å²	79	80.4 Å²	80.4	41%	0.405	41%	0.407	S	S	.	.	H	α-helix	trans	-56.4	-41.9	179.7	-69.6	166.5	0	0	0	111	R39 Q40 H45 M46 G47	R39-I43 HydrophobicContact CG-CD1 4.01Å; R39-I43 HydrophobicContact CG-CG1 4.4Å; R39-I43 VanDerWaalsContact O-CG1 3.31Å; R39-I43 WeakPolarHBondContact O-CG1 3.24Å; R39-I43 PolarHBondContact O-N 2.6Å; Q40-I43 PolarHBondContact O-N 2.89Å; I43-H45 VanDerWaalsContact C-N 3.32Å; I43-M46 PolarHBondContact O-N 3.43Å; I43-G47 PolarHBondContact O-N 3.02Å
44	R	62.9	Low	66	Low	91 Å²	91	78.9 Å²	78.9	34%	0.343	39%	0.393	S	S	.	.	H	α-helix	trans	-65.8	-36.6	176.7	-168	174.3	84	166.5	-3.3	112.2	Q40 F41 L42 G47 S65	Q40-R44 WeakPolarHBondContact O-CB 3.41Å; Q40-R44 PolarHBondContact O-N 3.35Å; F41-R44 VanDerWaalsContact CD1-CZ 3.42Å; F41-R44 PolarHBondContact O-N 3.27Å; L42-R44 PolarHBondContact O-N 3.17Å; R44-G47 PolarHBondContact O-N 3.45Å; R44-S65 VanDerWaalsContact CD-O 3.32Å; R44-S65 WeakPolarHBondContact CD-O 3.35Å; R44-S65 PolarHBondContact NH1-OG 3.04Å
45	H	71.3	Confident	65.9	Low	16 Å²	16	77.3 Å²	77.3	7%	0.074	38%	0.384	C	S	.	.	H	α-helix	trans	-71.2	-35.2	172.9	170	63.7	0	0	0	112.6	C29 C32 F36 F41 L42 I43 G47 V48 H49	C29-H45 WeakPolarHBondContact CB-NE2 3.22Å; C29-H45 VanDerWaalsContact SG-CD2 3.51Å; C29-H45 PolarHBondContact SG-NE2 3.32Å; C32-H45 PolarHBondContact SG-NE2 3.49Å; F36-H45 HydrophobicContact CD2-CB 4.47Å; F36-H45 HydrophobicContact CE1-CB 3.84Å; F36-H45 HydrophobicContact CE2-CB 3.72Å; F36-H45 AromaticContact CE2-CD2 3.17Å; F36-H45 WeakPolarHBondContact CE2-CD2 3.42Å; F36-H45 AromaticContact CE2-CG 3.43Å; F36-H45 VanDerWaalsContact CE2-CG 3.43Å; F36-H45 AromaticContact CE2-NE2 3.87Å; F36-H45 HydrophobicContact CZ-CB 3.35Å; F36-H45 AromaticContact CZ-CD2 3.38Å; F36-H45 WeakPolarHBondContact CZ-CD2 3.31Å; F36-H45 AromaticContact CZ-CG 3.12Å; F36-H45 AromaticContact CZ-ND1 3.65Å; F36-H45 AromaticContact CZ-NE2 3.95Å; F41-H45 VanDerWaalsContact O-CB 3.28Å; F41-H45 WeakPolarHBondContact O-CB 3.32Å; F41-H45 PolarHBondContact O-N 2.68Å; L42-H45 CarbonylContact O-C 3.42Å; L42-H45 WeakPolarHBondContact O-CA 3.46Å; L42-H45 WeakPolarHBondContact O-CB 3.21Å; L42-H45 PolarHBondContact O-N 3.4Å; I43-H45 VanDerWaalsContact C-N 3.32Å; H45-G47 PolarHBondContact O-N 3.35Å; H45-G47 VanDerWaalsContact O-N 3.16Å; H45-V48 WeakPolarHBondContact O-CA 3.49Å; H45-V48 WeakPolarHBondContact O-CB 3.21Å; H45-V48 VanDerWaalsContact O-CG2 3.3Å; H45-V48 WeakPolarHBondContact O-CG2 3.47Å; H45-V48 PolarHBondContact O-N 2.82Å; H45-H49 AromaticContact CE1-CD2 3.94Å; H45-H49 AromaticContact CE1-NE2 3.42Å; H45-H49 PolarHBondContact CE1-NE2 3.24Å; H45-H49 AromaticContact NE2-CD2 3.65Å; H45-H49 AromaticContact NE2-NE2 3.18Å; H45-H49 PolarHBondContact NE2-NE2 3.3Å; H45-H49 VanDerWaalsContact NE2-NE2 3.18Å
46	M	66.5	Low	65	Low	43 Å²	43	73.2 Å²	73.2	21%	0.212	37%	0.371	C	S	.	.	H	α-helix	trans	-60.4	-25.1	173.6	-66	-51.1	-68.6	0	0	111.6	C29 E31 L42 I43 V48 H49 T50	C29-M46 PolarHBondContact SG-SD 3.31Å; E31-M46 HydrophobicContact CG-CE 4.15Å; L42-M46 HydrophobicContact CD1-CG 4.1Å; L42-M46 HydrophobicContact CD1-SD 3.93Å; L42-M46 HydrophobicContact CG-CG 4.24Å; L42-M46 WeakPolarHBondContact O-CG 3.46Å; L42-M46 PolarHBondContact O-N 3.36Å; I43-M46 PolarHBondContact O-N 3.43Å; M46-V48 PolarHBondContact O-N 3.14Å; M46-H49 PolarHBondContact O-N 3.48Å; M46-T50 WeakPolarHBondContact O-CB 3.07Å; M46-T50 WeakPolarHBondContact O-CG2 3.21Å; M46-T50 PolarHBondContact O-N 3.35Å; M46-T50 PolarHBondContact O-OG1 3.42Å
47	G	63.8	Low	64.7	Low	20 Å²	20	71.4 Å²	71.4	21%	0.206	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-22.8	168.3	0	0	0	0	0	114.2	I43 R44 H45 T50 G51 V52	I43-G47 PolarHBondContact O-N 3.02Å; R44-G47 PolarHBondContact O-N 3.45Å; H45-G47 PolarHBondContact O-N 3.35Å; H45-G47 VanDerWaalsContact O-N 3.16Å; G47-T50 WeakPolarHBondContact CA-OG1 3.48Å; G47-G51 CarbonylContact O-C 3.57Å; G47-G51 WeakPolarHBondContact O-CA 3.1Å; G47-G51 PolarHBondContact O-N 3.49Å; G47-G51 VanDerWaalsContact O-N 3.11Å; G47-V52 WeakPolarHBondContact CA-O 2.97Å
48	V	63.9	Low	64.5	Low	107 Å²	107	76.6 Å²	76.6	65%	0.648	38%	0.384	S	S	*	.	H	α-helix	trans	-72.1	-37.9	173.1	-177.4	0	0	0	0	111.3	H45 M46	H45-V48 WeakPolarHBondContact O-CA 3.49Å; H45-V48 WeakPolarHBondContact O-CB 3.21Å; H45-V48 VanDerWaalsContact O-CG2 3.3Å; H45-V48 WeakPolarHBondContact O-CG2 3.47Å; H45-V48 PolarHBondContact O-N 2.82Å; M46-V48 PolarHBondContact O-N 3.14Å
49	H	67.8	Low	64.2	Low	72 Å²	72	80 Å²	80	33%	0.333	40%	0.401	S	S	.	.	H	α-helix	trans	-84	-44	-179.7	-65.8	-74	0	0	0	112.2	C29 E31 C32 H45 M46 G51	C29-H49 PolarHBondContact SG-CD2 3.21Å; C29-H49 PolarHBondContact SG-NE2 2.96Å; E31-H49 HydrophobicContact CB-CB 4.17Å; E31-H49 WeakPolarHBondContact CB-CE1 3.26Å; E31-H49 VanDerWaalsContact CB-CG 3.44Å; E31-H49 WeakPolarHBondContact CB-ND1 3.45Å; E31-H49 HydrophobicContact CG-CB 3.92Å; C32-H49 PolarHBondContact SG-NE2 2.61Å; H45-H49 AromaticContact CE1-CD2 3.94Å; H45-H49 AromaticContact CE1-NE2 3.42Å; H45-H49 PolarHBondContact CE1-NE2 3.24Å; H45-H49 AromaticContact NE2-CD2 3.65Å; H45-H49 AromaticContact NE2-NE2 3.18Å; H45-H49 PolarHBondContact NE2-NE2 3.3Å; H45-H49 VanDerWaalsContact NE2-NE2 3.18Å; M46-H49 PolarHBondContact O-N 3.48Å; H49-G51 VanDerWaalsContact C-N 3.32Å; H49-G51 PolarHBondContact O-N 2.99Å
50	T	58.6	Low	63.6	Low	86 Å²	86	73.5 Å²	73.5	53%	0.528	38%	0.38	S	S	.	.	H	α-helix	trans	-80.5	-12.1	-178	58.7	0	0	0	0	113.4	M46 G47 V52	M46-T50 WeakPolarHBondContact O-CB 3.07Å; M46-T50 WeakPolarHBondContact O-CG2 3.21Å; M46-T50 PolarHBondContact O-N 3.35Å; M46-T50 PolarHBondContact O-OG1 3.42Å; G47-T50 WeakPolarHBondContact CA-OG1 3.48Å; T50-V52 PolarHBondContact O-N 3.39Å; T50-V52 VanDerWaalsContact O-N 3.15Å; T50-V52 PolarHBondContact OG1-N 2.92Å
51	G	54.9	Low	63.3	Low	47 Å²	47	69 Å²	69	49%	0.485	36%	0.363	S	S	.	.			trans	69.7	1.3	-173.9	0	0	0	0	0	114.7	G47 H49 K53	G47-G51 CarbonylContact O-C 3.57Å; G47-G51 WeakPolarHBondContact O-CA 3.1Å; G47-G51 PolarHBondContact O-N 3.49Å; G47-G51 VanDerWaalsContact O-N 3.11Å; H49-G51 VanDerWaalsContact C-N 3.32Å; H49-G51 PolarHBondContact O-N 2.99Å; G51-K53 PolarHBondContact O-N 3.35Å
52	V	52.4	Low	62.6	Low	98 Å²	98	68.2 Å²	68.2	59%	0.594	36%	0.359	S	S	*	.			trans	-75.9	107.8	-177.8	-177.8	0	0	0	0	110.2	G47 T50	G47-V52 WeakPolarHBondContact CA-O 2.97Å; T50-V52 PolarHBondContact O-N 3.39Å; T50-V52 VanDerWaalsContact O-N 3.15Å; T50-V52 PolarHBondContact OG1-N 2.92Å
53	K	53.2	Low	62.1	Low	90 Å²	90	70.3 Å²	70.3	39%	0.391	37%	0.371	S	S	.	.			trans	-97.1	127.5	-177.2	-65	161.6	-170.9	168.3	0	110.3	G51 V56 V309	G51-K53 PolarHBondContact O-N 3.35Å; K53-V56 HydrophobicContact CB-CG2 4.29Å; K53-V309 PolarHBondContact NZ-O 3.45Å
54	K	64.7	Low	61.8	Low	133 Å²	133	68.2 Å²	68.2	58%	0.578	36%	0.359	S	S	*	.	S	Bend	trans	-89.4	-39.4	-178.9	-64.8	-170.6	179.8	-173.1	0	114.3
55	Y	68	Low	61.6	Low	90 Å²	90	66.2 Å²	66.2	35%	0.353	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	121.9	-174.5	-55.8	-67.1	0	0	0	111.5	F64 V67	Y55-F64 PolarHBondContact O-N 3.26Å; Y55-V67 HydrophobicContact CD1-CG2 3.6Å; Y55-V67 HydrophobicContact CD2-CG2 4.17Å; Y55-V67 HydrophobicContact CE1-CG2 3.19Å; Y55-V67 HydrophobicContact CE2-CG2 3.79Å; Y55-V67 HydrophobicContact CG-CG2 4.07Å
56	V	60.6	Low	61.4	Low	57 Å²	57	66.8 Å²	66.8	35%	0.345	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.7	-173.6	-177.7	0	0	0	0	109.7	K53 K62	K53-V56 HydrophobicContact CB-CG2 4.29Å; V56-K62 CarbonylContact C-O 3.59Å; V56-K62 WeakPolarHBondContact CA-O 3.31Å
57	C	64.9	Low	61.9	Low	2 Å²	2	68 Å²	68	1%	0.014	37%	0.372	C	S	.	.			trans	-77.8	120.1	172.2	-179.2	0	0	0	0	111.2	M59 C60 S61 K62 F64 L70 H77	C57-M59 PolarHBondContact O-N 3.12Å; C57-C60 PolarHBondContact O-N 3.3Å; C57-S61 WeakPolarHBondContact O-CA 3.32Å; C57-S61 PolarHBondContact O-N 3.5Å; C57-K62 HydrophobicContact CB-CB 4.16Å; C57-K62 PolarHBondContact N-O 3.15Å; C57-F64 HydrophobicContact CB-CE2 4.03Å; C57-L70 VanDerWaalsContact CA-CD1 3.44Å; C57-L70 HydrophobicContact CB-CD1 3.48Å; C57-L70 VanDerWaalsContact CB-CD1 3.48Å; C57-H77 PolarHBondContact SG-NE2 3.12Å
58	E	65.1	Low	62.7	Low	157 Å²	157	73.1 Å²	73.1	73%	0.734	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.9	-177.3	-66.7	168.6	-161.9	0	0	114.6
59	M	61.4	Low	63.3	Low	89 Å²	89	72.8 Å²	72.8	44%	0.438	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-30	-175.5	-71	-92.4	-85	0	0	113.7	C57 H77 R90	C57-M59 PolarHBondContact O-N 3.12Å; M59-H77 HydrophobicContact CE-CB 3.68Å; M59-R90 VanDerWaalsContact CE-CD 3.48Å
60	C	61	Low	63.8	Low	25 Å²	25	70.1 Å²	70.1	17%	0.169	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.2	0.7	-179.1	64.2	0	0	0	0	114.6	C57 H73 H77 M308	C57-C60 PolarHBondContact O-N 3.3Å; C60-H73 PolarHBondContact SG-NE2 3.24Å; C60-H77 PolarHBondContact SG-CE1 2.74Å; C60-H77 PolarHBondContact SG-NE2 2.96Å; C60-M308 HydrophobicContact CB-CE 3.66Å; C60-M308 WeakPolarHBondContact O-CE 3.49Å; C60-M308 WeakPolarHBondContact SG-CE 3.11Å
61	S	60.2	Low	64.9	Low	38 Å²	38	68.4 Å²	68.4	27%	0.266	37%	0.365	S	S	.	.			trans	72.2	19.2	-179.3	-50.8	0	0	0	0	115.4	C57 N63 M308	C57-S61 WeakPolarHBondContact O-CA 3.32Å; C57-S61 PolarHBondContact O-N 3.5Å; S61-N63 PolarHBondContact O-N 2.85Å; S61-N63 PolarHBondContact O-OD1 3.49Å; S61-M308 WeakPolarHBondContact O-CB 3.16Å; S61-M308 WeakPolarHBondContact O-CG 3.35Å
62	K	52.1	Low	66.2	Low	66 Å²	66	68.9 Å²	68.9	29%	0.287	37%	0.365	S	S	.	.			trans	-68.3	125.9	-171	-146.3	152.2	-135.9	-158.7	0	110.2	V56 C57 F64 H73 M308	V56-K62 CarbonylContact C-O 3.59Å; V56-K62 WeakPolarHBondContact CA-O 3.31Å; C57-K62 HydrophobicContact CB-CB 4.16Å; C57-K62 PolarHBondContact N-O 3.15Å; K62-F64 HydrophobicContact CB-CE2 3.5Å; K62-F64 VanDerWaalsContact CB-CE2 3.5Å; K62-F64 HydrophobicContact CB-CZ 3.56Å; K62-F64 HydrophobicContact CD-CZ 4.03Å; K62-F64 HydrophobicContact CG-CE1 4.36Å; K62-F64 HydrophobicContact CG-CE2 4.01Å; K62-F64 HydrophobicContact CG-CZ 3.54Å; K62-F64 WeakPolarHBondContact O-CD2 3.4Å; K62-F64 WeakPolarHBondContact O-CE2 3.38Å; K62-H73 WeakPolarHBondContact CD-CE1 3.38Å; K62-M308 VanDerWaalsContact CA-SD 3.53Å; K62-M308 HydrophobicContact CB-CE 3.14Å; K62-M308 HydrophobicContact CB-CG 4.07Å; K62-M308 HydrophobicContact CB-SD 3.62Å; K62-M308 HydrophobicContact CD-CE 3.53Å; K62-M308 HydrophobicContact CD-SD 3.81Å; K62-M308 VanDerWaalsContact CE-SD 3.56Å; K62-M308 HydrophobicContact CG-CE 3.35Å; K62-M308 HydrophobicContact CG-CG 4.23Å; K62-M308 HydrophobicContact CG-SD 3.31Å; K62-M308 WeakPolarHBondContact CG-SD 3.38Å
63	N	62.6	Low	67.5	Low	71 Å²	71	65 Å²	65	38%	0.38	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	129.6	-177.5	-55.7	-32.4	0	0	0	108.5	S61	S61-N63 PolarHBondContact O-N 2.85Å; S61-N63 PolarHBondContact O-OD1 3.49Å
64	F	62.7	Low	68.7	Low	35 Å²	35	67.1 Å²	67.1	15%	0.154	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146	175.8	-63	-77.4	0	0	0	110.8	Y55 C57 K62 T66 H69 L70 H73	Y55-F64 PolarHBondContact O-N 3.26Å; C57-F64 HydrophobicContact CB-CE2 4.03Å; K62-F64 HydrophobicContact CB-CE2 3.5Å; K62-F64 VanDerWaalsContact CB-CE2 3.5Å; K62-F64 HydrophobicContact CB-CZ 3.56Å; K62-F64 HydrophobicContact CD-CZ 4.03Å; K62-F64 HydrophobicContact CG-CE1 4.36Å; K62-F64 HydrophobicContact CG-CE2 4.01Å; K62-F64 HydrophobicContact CG-CZ 3.54Å; K62-F64 WeakPolarHBondContact O-CD2 3.4Å; K62-F64 WeakPolarHBondContact O-CE2 3.38Å; F64-T66 VanDerWaalsContact C-N 3.3Å; F64-T66 WeakPolarHBondContact CB-O 3.37Å; F64-H69 HydrophobicContact CB-CB 4.14Å; F64-H69 HydrophobicContact CD1-CB 3.67Å; F64-H69 HydrophobicContact CG-CB 4.2Å; F64-L70 HydrophobicContact CB-CB 3.92Å; F64-L70 VanDerWaalsContact CD2-CA 3.48Å; F64-L70 HydrophobicContact CD2-CB 3.58Å; F64-L70 HydrophobicContact CD2-CD1 3.53Å; F64-L70 HydrophobicContact CD2-CG 4.13Å; F64-L70 HydrophobicContact CE2-CB 4.39Å; F64-L70 HydrophobicContact CE2-CD1 3.72Å; F64-L70 HydrophobicContact CG-CB 3.86Å; F64-H73 HydrophobicContact CD1-CB 4.49Å; F64-H73 HydrophobicContact CE1-CB 3.58Å; F64-H73 AromaticContact CE1-CG 3.91Å; F64-H73 HydrophobicContact CE2-CB 3.69Å; F64-H73 AromaticContact CE2-CD2 3.32Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.17Å; F64-H73 AromaticContact CE2-CG 3.58Å; F64-H73 HydrophobicContact CZ-CB 3.13Å; F64-H73 AromaticContact CZ-CD2 3.25Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.37Å; F64-H73 AromaticContact CZ-CG 3.03Å; F64-H73 AromaticContact CZ-ND1 3.7Å; F64-H73 AromaticContact CZ-NE2 3.95Å
65	S	58.8	Low	69.5	Low	48 Å²	48	66.1 Å²	66.1	34%	0.336	34%	0.343	S	S	.	.	S	Bend	trans	-81.2	-20.1	-176.6	79	0	0	0	0	110.6	R44	R44-S65 VanDerWaalsContact CD-O 3.32Å; R44-S65 WeakPolarHBondContact CD-O 3.35Å; R44-S65 PolarHBondContact NH1-OG 3.04Å
66	T	66	Low	69.9	Low	29 Å²	29	64.4 Å²	64.4	18%	0.178	34%	0.341	C	S	.	.	S	Bend	trans	-146.2	162.8	176.4	77.9	0	0	0	0	111	F64 E68 H69 L70	F64-T66 VanDerWaalsContact C-N 3.3Å; F64-T66 WeakPolarHBondContact CB-O 3.37Å; T66-E68 VanDerWaalsContact C-N 3.32Å; T66-E68 WeakPolarHBondContact CB-OE2 3.28Å; T66-E68 PolarHBondContact OG1-OE2 3.4Å; T66-H69 PolarHBondContact OG1-N 3.45Å; T66-H69 PolarHBondContact OG1-ND1 3.09Å; T66-L70 PolarHBondContact O-N 3.36Å
67	V	77.8	Confident	70.4	Confident	67 Å²	67	62.3 Å²	62.3	41%	0.406	33%	0.328	S	S	.	.	H	α-helix	trans	-64.7	-37.1	178.4	180	0	0	0	0	111.2	Y55 H69 L70 A71	Y55-V67 HydrophobicContact CD1-CG2 3.6Å; Y55-V67 HydrophobicContact CD2-CG2 4.17Å; Y55-V67 HydrophobicContact CE1-CG2 3.19Å; Y55-V67 HydrophobicContact CE2-CG2 3.79Å; Y55-V67 HydrophobicContact CG-CG2 4.07Å; V67-H69 VanDerWaalsContact C-N 3.34Å; V67-H69 PolarHBondContact O-N 3.08Å; V67-L70 CarbonylContact O-C 3.54Å; V67-L70 WeakPolarHBondContact O-CA 3.32Å; V67-L70 WeakPolarHBondContact O-CB 3.42Å; V67-L70 PolarHBondContact O-N 2.83Å; V67-L70 VanDerWaalsContact O-N 3.1Å; V67-A71 PolarHBondContact O-N 3.5Å
68	E	79.3	Confident	70.8	Confident	129 Å²	129	69 Å²	69	60%	0.603	36%	0.358	S	S	*	.	H	α-helix	trans	-65.2	-40	-177	-52.9	72.2	-150.6	0	0	110.8	T66 L70 A71 A72	T66-E68 VanDerWaalsContact C-N 3.32Å; T66-E68 WeakPolarHBondContact CB-OE2 3.28Å; T66-E68 PolarHBondContact OG1-OE2 3.4Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 2.82Å; E68-A71 PolarHBondContact O-N 2.85Å; E68-A72 WeakPolarHBondContact O-CB 2.98Å; E68-A72 PolarHBondContact O-N 2.98Å
69	H	76.8	Confident	71.3	Confident	100 Å²	100	67.8 Å²	67.8	46%	0.463	35%	0.353	S	S	.	.	H	α-helix	trans	-67.6	-34.4	174.4	-67.6	114.4	0	0	0	112.2	F64 T66 V67 H73	F64-H69 HydrophobicContact CB-CB 4.14Å; F64-H69 HydrophobicContact CD1-CB 3.67Å; F64-H69 HydrophobicContact CG-CB 4.2Å; T66-H69 PolarHBondContact OG1-N 3.45Å; T66-H69 PolarHBondContact OG1-ND1 3.09Å; V67-H69 VanDerWaalsContact C-N 3.34Å; V67-H69 PolarHBondContact O-N 3.08Å; H69-H73 VanDerWaalsContact O-CB 3.25Å; H69-H73 WeakPolarHBondContact O-CB 3.45Å; H69-H73 PolarHBondContact O-N 2.82Å
70	L	78.1	Confident	72	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.084	35%	0.347	C	S	.	.	H	α-helix	trans	-65.5	-44.6	172.5	170.8	59.6	0	0	0	111.1	C57 F64 T66 V67 E68 H73 R74	C57-L70 VanDerWaalsContact CA-CD1 3.44Å; C57-L70 HydrophobicContact CB-CD1 3.48Å; C57-L70 VanDerWaalsContact CB-CD1 3.48Å; F64-L70 HydrophobicContact CB-CB 3.92Å; F64-L70 VanDerWaalsContact CD2-CA 3.48Å; F64-L70 HydrophobicContact CD2-CB 3.58Å; F64-L70 HydrophobicContact CD2-CD1 3.53Å; F64-L70 HydrophobicContact CD2-CG 4.13Å; F64-L70 HydrophobicContact CE2-CB 4.39Å; F64-L70 HydrophobicContact CE2-CD1 3.72Å; F64-L70 HydrophobicContact CG-CB 3.86Å; T66-L70 PolarHBondContact O-N 3.36Å; V67-L70 CarbonylContact O-C 3.54Å; V67-L70 WeakPolarHBondContact O-CA 3.32Å; V67-L70 WeakPolarHBondContact O-CB 3.42Å; V67-L70 PolarHBondContact O-N 2.83Å; V67-L70 VanDerWaalsContact O-N 3.1Å; E68-L70 VanDerWaalsContact C-N 3.33Å; E68-L70 PolarHBondContact O-N 2.82Å; L70-H73 WeakPolarHBondContact O-CB 3.31Å; L70-H73 PolarHBondContact O-N 3.21Å; L70-R74 WeakPolarHBondContact O-CG 3.47Å; L70-R74 PolarHBondContact O-N 3.42Å
71	A	82.4	Confident	72.9	Confident	49 Å²	49	74.2 Å²	74.2	41%	0.405	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-49.8	176.7	0	0	0	0	0	111	V67 E68 H73 R74	V67-A71 PolarHBondContact O-N 3.5Å; E68-A71 PolarHBondContact O-N 2.85Å; A71-H73 PolarHBondContact O-N 3.49Å; A71-R74 WeakPolarHBondContact O-CB 3.49Å; A71-R74 PolarHBondContact O-N 3.35Å
72	A	82.2	Confident	73.9	Confident	58 Å²	58	74 Å²	74	48%	0.479	37%	0.37	S	S	.	.	H	α-helix	trans	-58.1	-38.6	176	0	0	0	0	0	112.1	E68 R74 H75	E68-A72 WeakPolarHBondContact O-CB 2.98Å; E68-A72 PolarHBondContact O-N 2.98Å; A72-R74 VanDerWaalsContact C-N 3.35Å; A72-R74 PolarHBondContact O-N 3.38Å; A72-H75 PolarHBondContact O-N 2.92Å
73	H	80	Confident	75.3	Confident	17 Å²	17	73.1 Å²	73.1	8%	0.079	38%	0.376	C	S	.	.	H	α-helix	trans	-66.9	-32.4	176.8	172.5	64.1	0	0	0	113.8	C60 K62 F64 H69 L70 A71 H75 V76 H77	C60-H73 PolarHBondContact SG-NE2 3.24Å; K62-H73 WeakPolarHBondContact CD-CE1 3.38Å; F64-H73 HydrophobicContact CD1-CB 4.49Å; F64-H73 HydrophobicContact CE1-CB 3.58Å; F64-H73 AromaticContact CE1-CG 3.91Å; F64-H73 HydrophobicContact CE2-CB 3.69Å; F64-H73 AromaticContact CE2-CD2 3.32Å; F64-H73 WeakPolarHBondContact CE2-CD2 3.17Å; F64-H73 AromaticContact CE2-CG 3.58Å; F64-H73 HydrophobicContact CZ-CB 3.13Å; F64-H73 AromaticContact CZ-CD2 3.25Å; F64-H73 WeakPolarHBondContact CZ-CD2 3.37Å; F64-H73 AromaticContact CZ-CG 3.03Å; F64-H73 AromaticContact CZ-ND1 3.7Å; F64-H73 AromaticContact CZ-NE2 3.95Å; H69-H73 VanDerWaalsContact O-CB 3.25Å; H69-H73 WeakPolarHBondContact O-CB 3.45Å; H69-H73 PolarHBondContact O-N 2.82Å; L70-H73 WeakPolarHBondContact O-CB 3.31Å; L70-H73 PolarHBondContact O-N 3.21Å; A71-H73 PolarHBondContact O-N 3.49Å; H73-H75 PolarHBondContact O-N 2.88Å; H73-V76 VanDerWaalsContact O-CB 3.27Å; H73-V76 WeakPolarHBondContact O-CB 3.31Å; H73-V76 PolarHBondContact O-N 3.24Å; H73-H77 AromaticContact CD2-NE2 3.92Å; H73-H77 AromaticContact CE1-NE2 3.63Å; H73-H77 AromaticContact NE2-CD2 3.74Å; H73-H77 AromaticContact NE2-NE2 3.09Å; H73-H77 PolarHBondContact NE2-NE2 3.37Å
74	R	78.9	Confident	76.1	Confident	134 Å²	134	70.3 Å²	70.3	51%	0.506	36%	0.361	S	S	.	.	H	α-helix	trans	-57.5	-31.5	178.8	-75.1	176.2	171.6	-171.1	-4.2	111.9	L70 A71 A72 V76 H77 E78	L70-R74 WeakPolarHBondContact O-CG 3.47Å; L70-R74 PolarHBondContact O-N 3.42Å; A71-R74 WeakPolarHBondContact O-CB 3.49Å; A71-R74 PolarHBondContact O-N 3.35Å; A72-R74 VanDerWaalsContact C-N 3.35Å; A72-R74 PolarHBondContact O-N 3.38Å; R74-V76 PolarHBondContact O-N 3.43Å; R74-H77 WeakPolarHBondContact O-CB 3.1Å; R74-H77 PolarHBondContact O-N 3.21Å; R74-E78 PolarHBondContact O-N 2.86Å
75	H	80.4	Confident	77.1	Confident	112 Å²	112	76.9 Å²	76.9	52%	0.519	39%	0.393	S	S	.	.	H	α-helix	trans	-60.7	-29.3	174.2	-63.1	-60.6	0	0	0	113.6	A72 H73 H77 E78 E79	A72-H75 PolarHBondContact O-N 2.92Å; H73-H75 PolarHBondContact O-N 2.88Å; H75-H77 PolarHBondContact O-N 3.34Å; H75-E78 IonicContact ND1-OE2 2.68Å; H75-E78 PolarHBondContact ND1-OE2 2.97Å; H75-E78 WeakPolarHBondContact O-CB 3.46Å; H75-E78 PolarHBondContact O-N 3.34Å; H75-E78 VanDerWaalsContact O-N 3.13Å; H75-E79 PolarHBondContact O-N 3.42Å; H75-E79 VanDerWaalsContact O-N 3.1Å
76	V	75.8	Confident	77.8	Confident	53 Å²	53	81.7 Å²	81.7	32%	0.321	41%	0.407	S	S	.	.	H	α-helix	trans	-63.6	-30	174.4	-178.3	0	0	0	0	111.4	H73 R74 R80	H73-V76 VanDerWaalsContact O-CB 3.27Å; H73-V76 WeakPolarHBondContact O-CB 3.31Å; H73-V76 PolarHBondContact O-N 3.24Å; R74-V76 PolarHBondContact O-N 3.43Å; V76-R80 VanDerWaalsContact O-CD 3.29Å; V76-R80 WeakPolarHBondContact O-CD 3.46Å; V76-R80 VanDerWaalsContact O-CG 3.26Å; V76-R80 WeakPolarHBondContact O-CG 3.45Å
77	H	71.1	Confident	78.1	Confident	14 Å²	14	82.1 Å²	82.1	7%	0.065	41%	0.411	C	S	.	.	H	α-helix	trans	-76	-33.1	175.3	-70.7	-63.3	0	0	0	113	C57 M59 C60 H73 R74 H75 R80	C57-H77 PolarHBondContact SG-NE2 3.12Å; M59-H77 HydrophobicContact CE-CB 3.68Å; C60-H77 PolarHBondContact SG-CE1 2.74Å; C60-H77 PolarHBondContact SG-NE2 2.96Å; H73-H77 AromaticContact CD2-NE2 3.92Å; H73-H77 AromaticContact CE1-NE2 3.63Å; H73-H77 AromaticContact NE2-CD2 3.74Å; H73-H77 AromaticContact NE2-NE2 3.09Å; H73-H77 PolarHBondContact NE2-NE2 3.37Å; R74-H77 WeakPolarHBondContact O-CB 3.1Å; R74-H77 PolarHBondContact O-N 3.21Å; H75-H77 PolarHBondContact O-N 3.34Å; H77-R80 WeakPolarHBondContact O-CB 3.18Å; H77-R80 PolarHBondContact O-N 3.29Å; H77-R80 VanDerWaalsContact O-N 3.15Å
78	E	74.5	Confident	77.7	Confident	141 Å²	141	89.1 Å²	89.1	66%	0.659	43%	0.43	S	S	*	.	H	α-helix	trans	-65.8	-39.9	176.4	-167.6	173.3	-171.4	0	0	111.5	R74 H75 R80	R74-E78 PolarHBondContact O-N 2.86Å; H75-E78 IonicContact ND1-OE2 2.68Å; H75-E78 PolarHBondContact ND1-OE2 2.97Å; H75-E78 WeakPolarHBondContact O-CB 3.46Å; H75-E78 PolarHBondContact O-N 3.34Å; H75-E78 VanDerWaalsContact O-N 3.13Å; E78-R80 PolarHBondContact O-N 2.84Å
79	E	74.4	Confident	77.2	Confident	133 Å²	133	86.4 Å²	86.4	62%	0.621	42%	0.416	S	S	*	.	H	α-helix	trans	-64.8	-24.2	172.5	-68.5	-176.2	167.9	0	0	113.2	H75 K81	H75-E79 PolarHBondContact O-N 3.42Å; H75-E79 VanDerWaalsContact O-N 3.1Å; E79-K81 PolarHBondContact O-N 3.45Å; E79-K81 VanDerWaalsContact O-N 3.12Å
80	R	77.6	Confident	77.2	Confident	82 Å²	82	85.2 Å²	85.2	31%	0.309	41%	0.408	S	S	.	.			trans	-87.2	78.7	179.7	-72.4	168	172.5	-147.1	7.9	110.2	V76 H77 E78 V82 R90 F91 T92	V76-R80 VanDerWaalsContact O-CD 3.29Å; V76-R80 WeakPolarHBondContact O-CD 3.46Å; V76-R80 VanDerWaalsContact O-CG 3.26Å; V76-R80 WeakPolarHBondContact O-CG 3.45Å; H77-R80 WeakPolarHBondContact O-CB 3.18Å; H77-R80 PolarHBondContact O-N 3.29Å; H77-R80 VanDerWaalsContact O-N 3.15Å; E78-R80 PolarHBondContact O-N 2.84Å; R80-V82 VanDerWaalsContact C-N 3.32Å; R80-V82 PolarHBondContact O-N 3.37Å; R80-R90 HydrophobicContact CB-CB 3.61Å; R80-R90 VanDerWaalsContact CD-O 3.26Å; R80-R90 WeakPolarHBondContact CD-O 3.44Å; R80-R90 PolarHBondContact NH1-O 2.67Å; R80-R90 WeakPolarHBondContact O-CB 3.12Å; R80-R90 PolarHBondContact O-NE 2.83Å; R80-R90 PolarHBondContact O-NH2 3.1Å; R80-R90 VanDerWaalsContact O-NH2 3.13Å; R80-F91 CarbonylContact C-O 3.53Å; R80-F91 VanDerWaalsContact C-O 3.29Å; R80-F91 VanDerWaalsContact CA-O 3.28Å; R80-F91 WeakPolarHBondContact CA-O 3.45Å; R80-T92 HydrophobicContact CG-CG2 3.93Å
81	K	80	Confident	77.1	Confident	167 Å²	167	86 Å²	86	73%	0.726	41%	0.411	S	S	*	.			trans	-71.4	-22.4	-174.9	-61.3	-174.7	-178.9	-176.2	0	114.3	E79 R90 F91	E79-K81 PolarHBondContact O-N 3.45Å; E79-K81 VanDerWaalsContact O-N 3.12Å; K81-R90 PolarHBondContact O-NH2 3.43Å; K81-R90 VanDerWaalsContact O-NH2 3.08Å; K81-F91 PolarHBondContact N-O 3.04Å
82	V	80.9	Confident	77	Confident	33 Å²	33	88.3 Å²	88.3	20%	0.2	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	115.5	-171.7	-177.1	0	0	0	0	110.6	R80 R90 F91 K94 L97	R80-V82 VanDerWaalsContact C-N 3.32Å; R80-V82 PolarHBondContact O-N 3.37Å; V82-R90 CarbonylContact O-C 3.45Å; V82-R90 VanDerWaalsContact O-CA 3.31Å; V82-R90 WeakPolarHBondContact O-CA 3.3Å; V82-F91 PolarHBondContact N-O 2.77Å; V82-F91 PolarHBondContact O-N 2.78Å; V82-K94 HydrophobicContact CG1-CG 4.41Å; V82-K94 HydrophobicContact CG2-CG 4.2Å; V82-L97 HydrophobicContact CG1-CB 3.9Å; V82-L97 HydrophobicContact CG1-CD2 3.49Å; V82-L97 VanDerWaalsContact CG1-CD2 3.49Å; V82-L97 HydrophobicContact CG1-CG 4.23Å
83	A	81.8	Confident	77.1	Confident	48 Å²	48	87.8 Å²	87.8	40%	0.397	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	152.3	179.7	0	0	0	0	0	112.7	R90	A83-R90 HydrophobicContact CB-CG 4.2Å
84	C	78.9	Confident	77.4	Confident	12 Å²	12	95.3 Å²	95.3	8%	0.081	45%	0.445	C	S	.	.			trans	-84.1	137.6	166.7	-172.5	0	0	0	0	111	K86 C87 F89 F91 L97 H100 H104	C84-K86 VanDerWaalsContact C-N 3.31Å; C84-K86 PolarHBondContact O-N 3.32Å; C84-C87 VanDerWaalsContact SG-SG 3.69Å; C84-F89 PolarHBondContact N-O 2.86Å; C84-F91 HydrophobicContact CB-CE2 4.32Å; C84-L97 HydrophobicContact CB-CD1 3.68Å; C84-H100 PolarHBondContact SG-NE2 3.18Å; C84-H100 VanDerWaalsContact SG-NE2 3.45Å; C84-H104 PolarHBondContact SG-NE2 3.34Å
85	E	83.3	Confident	77.8	Confident	173 Å²	173	92.4 Å²	92.4	81%	0.808	45%	0.45	S	S	*	.	S	Bend	trans	-73.8	-21.9	178.1	-65.8	158.6	-167.4	0	0	113
86	K	74	Confident	77.7	Confident	149 Å²	149	88.8 Å²	88.8	65%	0.648	44%	0.439	S	S	*	.	S	Bend	trans	-101.2	-9.2	-174.9	-69.7	-175.1	176.1	-173.8	0	114.1	C84 H104	C84-K86 VanDerWaalsContact C-N 3.31Å; C84-K86 PolarHBondContact O-N 3.32Å; K86-H104 HydrophobicContact CD-CB 3.72Å
87	C	71.2	Confident	77.9	Confident	37 Å²	37	87.5 Å²	87.5	25%	0.25	43%	0.43	C	S	.	.	S	Bend	trans	-157.9	170.4	-179.3	68.4	0	0	0	0	112	C84 F89 H100	C84-C87 VanDerWaalsContact SG-SG 3.69Å; C87-F89 HydrophobicContact CB-CD2 4.35Å; C87-F89 PolarHBondContact O-N 3.5Å; C87-H100 VanDerWaalsContact SG-CE1 3.58Å; C87-H100 PolarHBondContact SG-NE2 3.47Å
88	R	71	Confident	78.5	Confident	215 Å²	215	94.6 Å²	94.6	81%	0.811	46%	0.461	S	S	*	.	S	Bend	trans	-75.4	0.3	-175.1	-61.1	-175.9	179.6	176	0.3	114.8
89	F	67.3	Low	78.5	Confident	71 Å²	71	93.1 Å²	93.1	31%	0.311	45%	0.454	S	S	.	.			trans	-75.2	135.6	-176.3	-73.1	-81.3	0	0	0	112.3	C84 C87 F91	C84-F89 PolarHBondContact N-O 2.86Å; C87-F89 HydrophobicContact CB-CD2 4.35Å; C87-F89 PolarHBondContact O-N 3.5Å; F89-F91 HydrophobicContact CB-CE2 3.76Å; F89-F91 HydrophobicContact CB-CZ 3.76Å
90	R	77.7	Confident	78.7	Confident	76 Å²	76	88.3 Å²	88.3	29%	0.287	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.6	172.9	-55.5	-179.7	66.2	92.1	2.6	110.8	M59 R80 K81 V82 A83	M59-R90 VanDerWaalsContact CE-CD 3.48Å; R80-R90 HydrophobicContact CB-CB 3.61Å; R80-R90 VanDerWaalsContact CD-O 3.26Å; R80-R90 WeakPolarHBondContact CD-O 3.44Å; R80-R90 PolarHBondContact NH1-O 2.67Å; R80-R90 WeakPolarHBondContact O-CB 3.12Å; R80-R90 PolarHBondContact O-NE 2.83Å; R80-R90 PolarHBondContact O-NH2 3.1Å; R80-R90 VanDerWaalsContact O-NH2 3.13Å; K81-R90 PolarHBondContact O-NH2 3.43Å; K81-R90 VanDerWaalsContact O-NH2 3.08Å; V82-R90 CarbonylContact O-C 3.45Å; V82-R90 VanDerWaalsContact O-CA 3.31Å; V82-R90 WeakPolarHBondContact O-CA 3.3Å; A83-R90 HydrophobicContact CB-CG 4.2Å
91	F	76.6	Confident	78.7	Confident	32 Å²	32	91.3 Å²	91.3	14%	0.14	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	152.4	-171.8	-60	-86.5	0	0	0	111.3	R80 K81 V82 C84 F89 S93 A96 L97 H100	R80-F91 CarbonylContact C-O 3.53Å; R80-F91 VanDerWaalsContact C-O 3.29Å; R80-F91 VanDerWaalsContact CA-O 3.28Å; R80-F91 WeakPolarHBondContact CA-O 3.45Å; K81-F91 PolarHBondContact N-O 3.04Å; V82-F91 PolarHBondContact N-O 2.77Å; V82-F91 PolarHBondContact O-N 2.78Å; C84-F91 HydrophobicContact CB-CE2 4.32Å; F89-F91 HydrophobicContact CB-CE2 3.76Å; F89-F91 HydrophobicContact CB-CZ 3.76Å; F91-S93 VanDerWaalsContact C-N 3.32Å; F91-A96 HydrophobicContact CB-CB 4.09Å; F91-A96 HydrophobicContact CD1-CB 3.93Å; F91-A96 HydrophobicContact CG-CB 4.34Å; F91-L97 HydrophobicContact CB-CB 4.47Å; F91-L97 HydrophobicContact CD2-CB 4.1Å; F91-L97 HydrophobicContact CD2-CD1 3.83Å; F91-L97 HydrophobicContact CE2-CD1 3.94Å; F91-L97 HydrophobicContact CG-CB 4.36Å; F91-H100 HydrophobicContact CE1-CB 3.68Å; F91-H100 AromaticContact CE1-CG 3.95Å; F91-H100 HydrophobicContact CE2-CB 3.96Å; F91-H100 AromaticContact CE2-CD2 3.51Å; F91-H100 AromaticContact CE2-CG 3.66Å; F91-H100 HydrophobicContact CZ-CB 3.36Å; F91-H100 AromaticContact CZ-CD2 3.5Å; F91-H100 AromaticContact CZ-CE1 3.97Å; F91-H100 AromaticContact CZ-CG 3.14Å; F91-H100 AromaticContact CZ-ND1 3.49Å; F91-H100 WeakPolarHBondContact CZ-ND1 3.4Å; F91-H100 AromaticContact CZ-NE2 3.98Å
92	T	80	Confident	78.6	Confident	98 Å²	98	89 Å²	89	60%	0.601	43%	0.433	S	S	*	.	S	Bend	trans	-75.8	-20.4	178.1	51.4	0	0	0	0	112.8	R80	R80-T92 HydrophobicContact CG-CG2 3.93Å
93	S	84	Confident	77.9	Confident	47 Å²	47	89 Å²	89	33%	0.329	43%	0.434	S	S	.	.	S	Bend	trans	-145.6	156.6	-178.4	74.8	0	0	0	0	112.6	F91 A95 A96 L97	F91-S93 VanDerWaalsContact C-N 3.32Å; S93-A95 PolarHBondContact O-N 3.44Å; S93-A96 PolarHBondContact O-N 3.33Å; S93-A96 PolarHBondContact OG-N 3.09Å; S93-L97 PolarHBondContact O-N 3.48Å
94	K	86.5	Confident	77.4	Confident	174 Å²	174	87.8 Å²	87.8	76%	0.757	42%	0.42	S	S	*	.	H	α-helix	trans	-62.7	-30.4	172.5	-69.7	-176	179.1	178.4	0	112.3	V82 L97 K98	V82-K94 HydrophobicContact CG1-CG 4.41Å; V82-K94 HydrophobicContact CG2-CG 4.2Å; K94-L97 PolarHBondContact O-N 3.37Å; K94-K98 PolarHBondContact O-N 3.49Å
95	A	86.9	Confident	77.1	Confident	74 Å²	74	90 Å²	90	61%	0.612	44%	0.436	S	S	*	.	H	α-helix	trans	-65.2	-44.6	176.3	0	0	0	0	0	111.8	S93 L97 K98 E99	S93-A95 PolarHBondContact O-N 3.44Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 3.15Å; A95-K98 PolarHBondContact O-N 3.49Å; A95-E99 PolarHBondContact O-N 3.11Å
96	A	78	Confident	76.2	Confident	35 Å²	35	86.4 Å²	86.4	29%	0.289	43%	0.43	S	S	.	.	H	α-helix	trans	-64.3	-38.1	175.4	0	0	0	0	0	112	F91 S93 E99 H100	F91-A96 HydrophobicContact CB-CB 4.09Å; F91-A96 HydrophobicContact CD1-CB 3.93Å; F91-A96 HydrophobicContact CG-CB 4.34Å; S93-A96 PolarHBondContact O-N 3.33Å; S93-A96 PolarHBondContact OG-N 3.09Å; A96-E99 PolarHBondContact O-N 3.03Å; A96-H100 WeakPolarHBondContact O-CB 3.47Å; A96-H100 PolarHBondContact O-N 2.79Å
97	L	80.6	Confident	75.9	Confident	26 Å²	26	86.5 Å²	86.5	14%	0.136	43%	0.426	C	S	.	.	H	α-helix	trans	-62.6	-45	171.7	175.7	66	0	0	0	111.7	V82 C84 F91 S93 K94 A95 E99 H100 R101	V82-L97 HydrophobicContact CG1-CB 3.9Å; V82-L97 HydrophobicContact CG1-CD2 3.49Å; V82-L97 VanDerWaalsContact CG1-CD2 3.49Å; V82-L97 HydrophobicContact CG1-CG 4.23Å; C84-L97 HydrophobicContact CB-CD1 3.68Å; F91-L97 HydrophobicContact CB-CB 4.47Å; F91-L97 HydrophobicContact CD2-CB 4.1Å; F91-L97 HydrophobicContact CD2-CD1 3.83Å; F91-L97 HydrophobicContact CE2-CD1 3.94Å; F91-L97 HydrophobicContact CG-CB 4.36Å; S93-L97 PolarHBondContact O-N 3.48Å; K94-L97 PolarHBondContact O-N 3.37Å; A95-L97 VanDerWaalsContact C-N 3.34Å; A95-L97 PolarHBondContact O-N 3.15Å; L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 2.75Å; L97-H100 WeakPolarHBondContact O-CB 3.25Å; L97-H100 PolarHBondContact O-N 3.05Å; L97-R101 HydrophobicContact CD1-CG 4.3Å; L97-R101 HydrophobicContact CG-CG 4.39Å; L97-R101 WeakPolarHBondContact O-CG 3.41Å; L97-R101 PolarHBondContact O-N 2.91Å
98	K	84.5	Confident	75.5	Confident	163 Å²	163	87.6 Å²	87.6	71%	0.709	43%	0.427	S	S	*	.	H	α-helix	trans	-58.9	-41.7	179.3	-174.4	179.6	179.8	-179.1	0	111.5	K94 A95 R101	K94-K98 PolarHBondContact O-N 3.49Å; A95-K98 PolarHBondContact O-N 3.49Å; K98-R101 PolarHBondContact O-N 3.23Å
99	E	74.4	Confident	75.1	Confident	110 Å²	110	87 Å²	87	51%	0.514	42%	0.424	S	S	.	.	H	α-helix	trans	-64.6	-47.7	175	-168.7	58	-148	0	0	111.3	A95 A96 L97 R101 K102	A95-E99 PolarHBondContact O-N 3.11Å; A96-E99 PolarHBondContact O-N 3.03Å; L97-E99 VanDerWaalsContact C-N 3.28Å; L97-E99 PolarHBondContact O-N 2.75Å; E99-R101 VanDerWaalsContact C-N 3.28Å; E99-R101 PolarHBondContact O-N 2.8Å; E99-K102 VanDerWaalsContact O-CB 3.3Å; E99-K102 WeakPolarHBondContact O-CB 3.18Å; E99-K102 WeakPolarHBondContact O-CG 3.47Å; E99-K102 PolarHBondContact O-N 2.84Å; E99-K102 VanDerWaalsContact O-N 3.11Å; E99-K102 WeakPolarHBondContact OE1-CD 3.42Å; E99-K102 IonicContact OE1-NZ 3.38Å; E99-K102 PolarHBondContact OE1-NZ 3.16Å; E99-K102 VanDerWaalsContact OE2-CE 3.26Å; E99-K102 WeakPolarHBondContact OE2-CE 3.35Å; E99-K102 IonicContact OE2-NZ 2.78Å; E99-K102 PolarHBondContact OE2-NZ 2.82Å
100	H	77.5	Confident	74.9	Confident	33 Å²	33	89.8 Å²	89.8	15%	0.153	44%	0.437	C	S	.	.	H	α-helix	trans	-57	-38.7	176.1	168.1	75.3	0	0	0	112.7	C84 C87 F91 A96 L97 K102 C103 H104	C84-H100 PolarHBondContact SG-NE2 3.18Å; C84-H100 VanDerWaalsContact SG-NE2 3.45Å; C87-H100 VanDerWaalsContact SG-CE1 3.58Å; C87-H100 PolarHBondContact SG-NE2 3.47Å; F91-H100 HydrophobicContact CE1-CB 3.68Å; F91-H100 AromaticContact CE1-CG 3.95Å; F91-H100 HydrophobicContact CE2-CB 3.96Å; F91-H100 AromaticContact CE2-CD2 3.51Å; F91-H100 AromaticContact CE2-CG 3.66Å; F91-H100 HydrophobicContact CZ-CB 3.36Å; F91-H100 AromaticContact CZ-CD2 3.5Å; F91-H100 AromaticContact CZ-CE1 3.97Å; F91-H100 AromaticContact CZ-CG 3.14Å; F91-H100 AromaticContact CZ-ND1 3.49Å; F91-H100 WeakPolarHBondContact CZ-ND1 3.4Å; F91-H100 AromaticContact CZ-NE2 3.98Å; A96-H100 WeakPolarHBondContact O-CB 3.47Å; A96-H100 PolarHBondContact O-N 2.79Å; L97-H100 WeakPolarHBondContact O-CB 3.25Å; L97-H100 PolarHBondContact O-N 3.05Å; H100-K102 PolarHBondContact O-N 3.2Å; H100-C103 PolarHBondContact CE1-SG 3.42Å; H100-C103 WeakPolarHBondContact O-CB 3.33Å; H100-C103 PolarHBondContact O-N 3.26Å; H100-C103 PolarHBondContact O-SG 2.96Å; H100-H104 AromaticContact CD2-NE2 3.9Å; H100-H104 AromaticContact CE1-NE2 3.89Å; H100-H104 AromaticContact NE2-CD2 3.99Å; H100-H104 AromaticContact NE2-CE1 3.95Å; H100-H104 AromaticContact NE2-NE2 3.17Å; H100-H104 PolarHBondContact NE2-NE2 3.2Å; H100-H104 VanDerWaalsContact NE2-NE2 3.17Å
101	R	78.1	Confident	74.3	Confident	145 Å²	145	92.6 Å²	92.6	55%	0.547	45%	0.451	S	S	.	.	H	α-helix	trans	-57.6	-23.3	179.3	-73.7	177	84.7	-175.8	10.2	113.5	L97 K98 E99 C103 H104	L97-R101 HydrophobicContact CD1-CG 4.3Å; L97-R101 HydrophobicContact CG-CG 4.39Å; L97-R101 WeakPolarHBondContact O-CG 3.41Å; L97-R101 PolarHBondContact O-N 2.91Å; K98-R101 PolarHBondContact O-N 3.23Å; E99-R101 VanDerWaalsContact C-N 3.28Å; E99-R101 PolarHBondContact O-N 2.8Å; R101-C103 PolarHBondContact O-N 3.27Å; R101-H104 WeakPolarHBondContact O-CB 3Å; R101-H104 PolarHBondContact O-N 3.07Å
102	K	76.9	Confident	73.4	Confident	117 Å²	117	91.5 Å²	91.5	51%	0.509	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-62.1	-29.5	172.9	-61	178.1	-175.8	167.9	0	112.3	E99 H100 H104 S105 F108	E99-K102 VanDerWaalsContact O-CB 3.3Å; E99-K102 WeakPolarHBondContact O-CB 3.18Å; E99-K102 WeakPolarHBondContact O-CG 3.47Å; E99-K102 PolarHBondContact O-N 2.84Å; E99-K102 VanDerWaalsContact O-N 3.11Å; E99-K102 WeakPolarHBondContact OE1-CD 3.42Å; E99-K102 IonicContact OE1-NZ 3.38Å; E99-K102 PolarHBondContact OE1-NZ 3.16Å; E99-K102 VanDerWaalsContact OE2-CE 3.26Å; E99-K102 WeakPolarHBondContact OE2-CE 3.35Å; E99-K102 IonicContact OE2-NZ 2.78Å; E99-K102 PolarHBondContact OE2-NZ 2.82Å; H100-K102 PolarHBondContact O-N 3.2Å; K102-H104 PolarHBondContact O-N 3.5Å; K102-S105 WeakPolarHBondContact O-CB 3.41Å; K102-S105 PolarHBondContact O-N 3.46Å; K102-F108 WeakPolarHBondContact O-CD2 3.15Å
103	C	67.8	Low	71.9	Confident	33 Å²	33	93.4 Å²	93.4	22%	0.223	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-71	-9.5	174.2	89	0	0	0	0	113.3	H100 R101 F108 R118	H100-C103 PolarHBondContact CE1-SG 3.42Å; H100-C103 WeakPolarHBondContact O-CB 3.33Å; H100-C103 PolarHBondContact O-N 3.26Å; H100-C103 PolarHBondContact O-SG 2.96Å; R101-C103 PolarHBondContact O-N 3.27Å; C103-F108 WeakPolarHBondContact O-CB 3.03Å; C103-R118 VanDerWaalsContact O-CD 3.24Å; C103-R118 WeakPolarHBondContact O-CD 3.43Å
104	H	71.5	Confident	69.8	Low	23 Å²	23	96 Å²	96	11%	0.106	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-95.5	3.7	170.5	-62.4	-51.4	0	0	0	113	C84 K86 H100 R101 K102	C84-H104 PolarHBondContact SG-NE2 3.34Å; K86-H104 HydrophobicContact CD-CB 3.72Å; H100-H104 AromaticContact CD2-NE2 3.9Å; H100-H104 AromaticContact CE1-NE2 3.89Å; H100-H104 AromaticContact NE2-CD2 3.99Å; H100-H104 AromaticContact NE2-CE1 3.95Å; H100-H104 AromaticContact NE2-NE2 3.17Å; H100-H104 PolarHBondContact NE2-NE2 3.2Å; H100-H104 VanDerWaalsContact NE2-NE2 3.17Å; R101-H104 WeakPolarHBondContact O-CB 3Å; R101-H104 PolarHBondContact O-N 3.07Å; K102-H104 PolarHBondContact O-N 3.5Å
105	S	72	Confident	68.3	Low	60 Å²	60	88.1 Å²	88.1	42%	0.42	42%	0.419	S	S	.	.	S	Bend	trans	-60	151.4	168.3	-176.8	0	0	0	0	110.3	K102 R107 F108	K102-S105 WeakPolarHBondContact O-CB 3.41Å; K102-S105 PolarHBondContact O-N 3.46Å; S105-R107 PolarHBondContact O-N 3.41Å; S105-F108 PolarHBondContact O-N 3.43Å
106	S	63.1	Low	67	Low	97 Å²	97	86.9 Å²	86.9	68%	0.678	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-20.2	178.6	53.1	0	0	0	0	113.7	F108	S106-F108 VanDerWaalsContact C-N 3.32Å; S106-F108 PolarHBondContact O-N 3.47Å
107	R	67.5	Low	66.2	Low	150 Å²	150	87.4 Å²	87.4	57%	0.566	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-33	172.8	-171.4	173.2	175	142	6.7	113.4	S105 E120	S105-R107 PolarHBondContact O-N 3.41Å; R107-E120 HydrophobicContact CG-CG 4.13Å; R107-E120 IonicContact CZ-OE1 3.38Å; R107-E120 IonicContact CZ-OE2 2.67Å; R107-E120 IonicContact NE-OE1 3.05Å; R107-E120 PolarHBondContact NE-OE1 3.47Å; R107-E120 IonicContact NE-OE2 2.91Å; R107-E120 PolarHBondContact NE-OE2 2.89Å; R107-E120 IonicContact NH2-OE1 3.27Å; R107-E120 PolarHBondContact NH2-OE1 3.19Å; R107-E120 IonicContact NH2-OE2 2.78Å; R107-E120 PolarHBondContact NH2-OE2 3.48Å; R107-E120 WeakPolarHBondContact O-CA 3.47Å
108	F	63.9	Low	65.5	Low	61 Å²	61	90.9 Å²	90.9	27%	0.268	42%	0.415	S	S	.	.			trans	-107.8	62.6	-176.6	-60.2	-75.6	0	0	0	111.1	K102 C103 S105 S106 R118 E120	K102-F108 WeakPolarHBondContact O-CD2 3.15Å; C103-F108 WeakPolarHBondContact O-CB 3.03Å; S105-F108 PolarHBondContact O-N 3.43Å; S106-F108 VanDerWaalsContact C-N 3.32Å; S106-F108 PolarHBondContact O-N 3.47Å; F108-R118 HydrophobicContact CB-CB 4.04Å; F108-R118 PolarHBondContact O-NH1 3.05Å; F108-R118 VanDerWaalsContact O-NH1 3.13Å; F108-E120 HydrophobicContact CD1-CB 4.25Å; F108-E120 HydrophobicContact CE1-CB 4.23Å
109	R	62.1	Low	64.8	Low	201 Å²	201	84 Å²	84	76%	0.758	39%	0.385	S	S	*	.			trans	-76.7	-32.2	-172.3	-164	-179.3	-66	-143.2	3.2	112.8
110	K	63	Low	64.8	Low	130 Å²	130	82.8 Å²	82.8	57%	0.565	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.3	-174.2	-64.3	-177.7	179.2	-178.6	0	109.8	R118 F119	K110-R118 CarbonylContact O-C 3.51Å; K110-R118 VanDerWaalsContact O-CA 3.3Å; K110-R118 WeakPolarHBondContact O-CA 3.34Å; K110-F119 HydrophobicContact CB-CD2 3.87Å; K110-F119 HydrophobicContact CB-CE1 4.36Å; K110-F119 HydrophobicContact CB-CE2 3.3Å; K110-F119 HydrophobicContact CB-CZ 3.6Å; K110-F119 HydrophobicContact CD-CE2 4.04Å; K110-F119 HydrophobicContact CG-CE2 4.27Å; K110-F119 PolarHBondContact O-N 2.69Å
111	F	64.5	Low	64.6	Low	136 Å²	136	83.8 Å²	83.8	60%	0.596	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.6	174.8	72.8	-85.6	0	0	0	109.6	V117 R118 F119	F111-V117 CarbonylContact C-O 3.52Å; F111-V117 WeakPolarHBondContact CA-O 3.27Å; F111-R118 HydrophobicContact CB-CG 4.21Å; F111-F119 WeakPolarHBondContact O-CE1 3.32Å
112	C	59.1	Low	64.1	Low	8 Å²	8	84.2 Å²	84.2	5%	0.054	39%	0.389	C	S	.	.			trans	-87.2	124	176	-172.3	0	0	0	0	110.3	M114 C115 T116 V117 F119 H125 H130	C112-M114 PolarHBondContact O-N 3.13Å; C112-M114 VanDerWaalsContact SG-CB 3.58Å; C112-M114 PolarHBondContact SG-N 3.38Å; C112-C115 VanDerWaalsContact CB-SG 3.57Å; C112-T116 WeakPolarHBondContact O-CA 3.45Å; C112-T116 PolarHBondContact O-N 3.46Å; C112-V117 PolarHBondContact N-O 3.08Å; C112-F119 HydrophobicContact CB-CD1 3.93Å; C112-F119 HydrophobicContact CB-CE1 3.73Å; C112-F119 VanDerWaalsContact N-CE1 3.3Å; C112-H125 VanDerWaalsContact CB-CD2 3.46Å; C112-H125 WeakPolarHBondContact CB-CD2 3.31Å; C112-H125 WeakPolarHBondContact CB-NE2 3.46Å; C112-H125 VanDerWaalsContact SG-CD2 3.5Å; C112-H125 PolarHBondContact SG-NE2 2.95Å; C112-H130 PolarHBondContact SG-NE2 2.88Å
113	Y	47.3	Very low	63.9	Low	139 Å²	139	83.1 Å²	83.1	55%	0.545	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.3	173.4	76.1	-92.3	0	0	0	112.8	V309 C310	Y113-V309 WeakPolarHBondContact O-CG1 3.26Å; Y113-V309 WeakPolarHBondContact O-CG2 3.29Å; Y113-C310 PolarHBondContact O-SG 2.96Å; Y113-C310 VanDerWaalsContact O-SG 3.38Å
114	M	39.8	Very low	64.2	Low	100 Å²	100	85.3 Å²	85.3	49%	0.493	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-20.8	178.9	-67	-68.7	-76.6	0	0	114.7	C112 H130 V309	C112-M114 PolarHBondContact O-N 3.13Å; C112-M114 VanDerWaalsContact SG-CB 3.58Å; C112-M114 PolarHBondContact SG-N 3.38Å; M114-H130 WeakPolarHBondContact CB-CE1 3.42Å; M114-H130 WeakPolarHBondContact CB-NE2 3.25Å; M114-V309 VanDerWaalsContact O-CB 3.25Å; M114-V309 WeakPolarHBondContact O-CB 3.39Å; M114-V309 VanDerWaalsContact O-CG2 3.25Å; M114-V309 WeakPolarHBondContact O-CG2 3.18Å
115	C	56.4	Low	64.2	Low	9 Å²	9	84.8 Å²	84.8	6%	0.061	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.9	5.6	173.3	63.5	0	0	0	0	115.3	C112 V117 H125 H130 Q307 M308	C112-C115 VanDerWaalsContact CB-SG 3.57Å; C115-V117 HydrophobicContact CB-CG2 4.31Å; C115-V117 PolarHBondContact O-N 2.8Å; C115-V117 VanDerWaalsContact O-N 3.08Å; C115-V117 VanDerWaalsContact SG-CG2 3.53Å; C115-H125 PolarHBondContact SG-CE1 3.13Å; C115-H125 PolarHBondContact SG-NE2 3.36Å; C115-H130 PolarHBondContact SG-NE2 3.45Å; C115-H130 VanDerWaalsContact SG-NE2 3.42Å; C115-Q307 HydrophobicContact CB-CB 4.44Å; C115-Q307 PolarHBondContact O-NE2 3.22Å; C115-Q307 VanDerWaalsContact O-NE2 3.11Å; C115-M308 CarbonylContact C-O 3.59Å
116	T	60.1	Low	63.9	Low	49 Å²	49	84 Å²	84	30%	0.301	39%	0.392	S	S	.	.			trans	60	7.2	-176.5	69.2	0	0	0	0	116.4	C112 V309	C112-T116 WeakPolarHBondContact O-CA 3.45Å; C112-T116 PolarHBondContact O-N 3.46Å; T116-V309 HydrophobicContact CG2-CG2 3.51Å
117	V	60.9	Low	64	Low	45 Å²	45	82.5 Å²	82.5	27%	0.273	38%	0.377	S	S	.	.			trans	-73.1	135.2	177.1	179.7	0	0	0	0	110.6	F111 C112 C115 Q307	F111-V117 CarbonylContact C-O 3.52Å; F111-V117 WeakPolarHBondContact CA-O 3.27Å; C112-V117 PolarHBondContact N-O 3.08Å; C115-V117 HydrophobicContact CB-CG2 4.31Å; C115-V117 PolarHBondContact O-N 2.8Å; C115-V117 VanDerWaalsContact O-N 3.08Å; C115-V117 VanDerWaalsContact SG-CG2 3.53Å; V117-Q307 VanDerWaalsContact CG2-CD 3.48Å
118	R	66.1	Low	63.8	Low	99 Å²	99	79 Å²	79	37%	0.374	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.3	165	-71	-178.5	166.2	-104.6	-2.3	110.1	C103 F108 K110 F111	C103-R118 VanDerWaalsContact O-CD 3.24Å; C103-R118 WeakPolarHBondContact O-CD 3.43Å; F108-R118 HydrophobicContact CB-CB 4.04Å; F108-R118 PolarHBondContact O-NH1 3.05Å; F108-R118 VanDerWaalsContact O-NH1 3.13Å; K110-R118 CarbonylContact O-C 3.51Å; K110-R118 VanDerWaalsContact O-CA 3.3Å; K110-R118 WeakPolarHBondContact O-CA 3.34Å; F111-R118 HydrophobicContact CB-CG 4.21Å
119	F	69.5	Low	63.7	Low	20 Å²	20	77.8 Å²	77.8	9%	0.088	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.6	-176.3	59.9	-105.2	0	0	0	111.6	K110 F111 C112 T121 R122 H125	K110-F119 HydrophobicContact CB-CD2 3.87Å; K110-F119 HydrophobicContact CB-CE1 4.36Å; K110-F119 HydrophobicContact CB-CE2 3.3Å; K110-F119 HydrophobicContact CB-CZ 3.6Å; K110-F119 HydrophobicContact CD-CE2 4.04Å; K110-F119 HydrophobicContact CG-CE2 4.27Å; K110-F119 PolarHBondContact O-N 2.69Å; F111-F119 WeakPolarHBondContact O-CE1 3.32Å; C112-F119 HydrophobicContact CB-CD1 3.93Å; C112-F119 HydrophobicContact CB-CE1 3.73Å; C112-F119 VanDerWaalsContact N-CE1 3.3Å; F119-T121 WeakPolarHBondContact CD2-O 3.49Å; F119-R122 HydrophobicContact CE2-CB 3.76Å; F119-R122 VanDerWaalsContact CE2-N 3.29Å; F119-R122 HydrophobicContact CZ-CB 4.02Å; F119-R122 HydrophobicContact CZ-CG 4.45Å; F119-H125 HydrophobicContact CB-CB 3.6Å; F119-H125 HydrophobicContact CD1-CB 3.62Å; F119-H125 AromaticContact CD1-CD2 3.65Å; F119-H125 AromaticContact CD1-CG 3.28Å; F119-H125 AromaticContact CD1-ND1 3.8Å; F119-H125 HydrophobicContact CD2-CB 3.97Å; F119-H125 HydrophobicContact CE1-CB 4.2Å; F119-H125 AromaticContact CE1-CD2 3.82Å; F119-H125 AromaticContact CE1-CG 3.88Å; F119-H125 HydrophobicContact CG-CB 3.46Å; F119-H125 VanDerWaalsContact CG-CB 3.46Å; F119-H125 AromaticContact CG-CG 3.65Å
120	E	73.5	Confident	63.7	Low	84 Å²	84	71.2 Å²	71.2	39%	0.393	35%	0.348	S	S	.	.	S	Bend	trans	-79.7	-59.7	177.2	179.9	167.4	-159.2	0	0	110.5	R107 F108	R107-E120 HydrophobicContact CG-CG 4.13Å; R107-E120 IonicContact CZ-OE1 3.38Å; R107-E120 IonicContact CZ-OE2 2.67Å; R107-E120 IonicContact NE-OE1 3.05Å; R107-E120 PolarHBondContact NE-OE1 3.47Å; R107-E120 IonicContact NE-OE2 2.91Å; R107-E120 PolarHBondContact NE-OE2 2.89Å; R107-E120 IonicContact NH2-OE1 3.27Å; R107-E120 PolarHBondContact NH2-OE1 3.19Å; R107-E120 IonicContact NH2-OE2 2.78Å; R107-E120 PolarHBondContact NH2-OE2 3.48Å; R107-E120 WeakPolarHBondContact O-CA 3.47Å; F108-E120 HydrophobicContact CD1-CB 4.25Å; F108-E120 HydrophobicContact CE1-CB 4.23Å
121	T	72.9	Confident	63.5	Low	54 Å²	54	69.7 Å²	69.7	33%	0.331	34%	0.343	S	S	.	.			trans	-116.3	146.7	173.6	85.6	0	0	0	0	111.2	F119 V123 D124 H125	F119-T121 WeakPolarHBondContact CD2-O 3.49Å; T121-V123 PolarHBondContact O-N 3.11Å; T121-D124 WeakPolarHBondContact OG1-CB 3.39Å; T121-D124 PolarHBondContact OG1-N 3.05Å; T121-D124 VanDerWaalsContact OG1-N 3.1Å; T121-D124 PolarHBondContact OG1-OD2 3.09Å; T121-H125 WeakPolarHBondContact O-CB 3.25Å; T121-H125 PolarHBondContact O-N 2.87Å
122	R	68.9	Low	62.7	Low	153 Å²	153	69.4 Å²	69.4	58%	0.577	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-33.4	177	175.8	-179.2	158.2	101.9	-1.4	110.8	F119 H125 V126	F119-R122 HydrophobicContact CE2-CB 3.76Å; F119-R122 VanDerWaalsContact CE2-N 3.29Å; F119-R122 HydrophobicContact CZ-CB 4.02Å; F119-R122 HydrophobicContact CZ-CG 4.45Å; R122-H125 PolarHBondContact O-N 3.25Å; R122-V126 HydrophobicContact CG-CG2 4.06Å; R122-V126 WeakPolarHBondContact O-CB 3.43Å; R122-V126 WeakPolarHBondContact O-CG2 3.26Å; R122-V126 PolarHBondContact O-N 3.24Å
123	V	72.7	Confident	62.2	Low	94 Å²	94	72.7 Å²	72.7	57%	0.57	37%	0.372	S	S	*	.	H	α-helix	trans	-65.5	-52.7	-178.4	178.7	0	0	0	0	110.2	T121 H125 V126 N127	T121-V123 PolarHBondContact O-N 3.11Å; V123-H125 PolarHBondContact O-N 2.96Å; V123-V126 PolarHBondContact O-N 2.93Å; V123-N127 WeakPolarHBondContact O-CB 3.4Å; V123-N127 PolarHBondContact O-N 3.18Å; V123-N127 PolarHBondContact O-ND2 2.98Å; V123-N127 PolarHBondContact O-OD1 3.03Å
124	D	72.6	Confident	62.1	Low	79 Å²	79	74 Å²	74	42%	0.422	38%	0.38	S	S	.	.	H	α-helix	trans	-59.1	-41.7	178	-58.8	-35.4	0	0	0	110.9	T121 N127 D128	T121-D124 WeakPolarHBondContact OG1-CB 3.39Å; T121-D124 PolarHBondContact OG1-N 3.05Å; T121-D124 VanDerWaalsContact OG1-N 3.1Å; T121-D124 PolarHBondContact OG1-OD2 3.09Å; D124-N127 PolarHBondContact O-N 2.97Å; D124-D128 VanDerWaalsContact O-CB 3.27Å; D124-D128 WeakPolarHBondContact O-CB 2.99Å; D124-D128 PolarHBondContact O-N 3.47Å
125	H	72.6	Confident	63.2	Low	12 Å²	12	76.7 Å²	76.7	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-62.8	-48.9	178.8	-177.9	59	0	0	0	113.2	C112 C115 F119 T121 R122 V123 N127 D128 A129 H130	C112-H125 VanDerWaalsContact CB-CD2 3.46Å; C112-H125 WeakPolarHBondContact CB-CD2 3.31Å; C112-H125 WeakPolarHBondContact CB-NE2 3.46Å; C112-H125 VanDerWaalsContact SG-CD2 3.5Å; C112-H125 PolarHBondContact SG-NE2 2.95Å; C115-H125 PolarHBondContact SG-CE1 3.13Å; C115-H125 PolarHBondContact SG-NE2 3.36Å; F119-H125 HydrophobicContact CB-CB 3.6Å; F119-H125 HydrophobicContact CD1-CB 3.62Å; F119-H125 AromaticContact CD1-CD2 3.65Å; F119-H125 AromaticContact CD1-CG 3.28Å; F119-H125 AromaticContact CD1-ND1 3.8Å; F119-H125 HydrophobicContact CD2-CB 3.97Å; F119-H125 HydrophobicContact CE1-CB 4.2Å; F119-H125 AromaticContact CE1-CD2 3.82Å; F119-H125 AromaticContact CE1-CG 3.88Å; F119-H125 HydrophobicContact CG-CB 3.46Å; F119-H125 VanDerWaalsContact CG-CB 3.46Å; F119-H125 AromaticContact CG-CG 3.65Å; T121-H125 WeakPolarHBondContact O-CB 3.25Å; T121-H125 PolarHBondContact O-N 2.87Å; R122-H125 PolarHBondContact O-N 3.25Å; V123-H125 PolarHBondContact O-N 2.96Å; H125-N127 VanDerWaalsContact C-N 3.34Å; H125-D128 PolarHBondContact O-N 3.34Å; H125-A129 VanDerWaalsContact CE1-CB 3.44Å; H125-A129 WeakPolarHBondContact CE1-CB 3.29Å; H125-A129 WeakPolarHBondContact O-CB 2.89Å; H125-A129 PolarHBondContact O-N 2.95Å; H125-H130 AromaticContact CD2-CD2 3.67Å; H125-H130 AromaticContact CD2-NE2 3.91Å; H125-H130 AromaticContact CE1-NE2 3.8Å; H125-H130 AromaticContact NE2-CD2 3.14Å; H125-H130 PolarHBondContact NE2-CD2 3.29Å; H125-H130 AromaticContact NE2-NE2 2.95Å; H125-H130 PolarHBondContact NE2-NE2 2.78Å
126	V	65.1	Low	63.4	Low	44 Å²	44	79.3 Å²	79.3	27%	0.267	39%	0.394	S	S	.	.	H	α-helix	trans	-65.1	-42	179.6	169.8	0	0	0	0	110.1	R122 V123 H130 Q131	R122-V126 HydrophobicContact CG-CG2 4.06Å; R122-V126 WeakPolarHBondContact O-CB 3.43Å; R122-V126 WeakPolarHBondContact O-CG2 3.26Å; R122-V126 PolarHBondContact O-N 3.24Å; V123-V126 PolarHBondContact O-N 2.93Å; V126-H130 HydrophobicContact CG1-CB 4.36Å; V126-H130 CarbonylContact O-C 3.59Å; V126-H130 WeakPolarHBondContact O-CA 3.42Å; V126-H130 PolarHBondContact O-N 3.27Å; V126-Q131 HydrophobicContact CG1-CG 4.36Å; V126-Q131 PolarHBondContact O-N 3.1Å
127	N	65.3	Low	63.2	Low	66 Å²	66	81.3 Å²	81.3	35%	0.353	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-44.3	177.3	-66.7	-8.6	0	0	0	112.3	V123 D124 H125 Q131	V123-N127 WeakPolarHBondContact O-CB 3.4Å; V123-N127 PolarHBondContact O-N 3.18Å; V123-N127 PolarHBondContact O-ND2 2.98Å; V123-N127 PolarHBondContact O-OD1 3.03Å; D124-N127 PolarHBondContact O-N 2.97Å; H125-N127 VanDerWaalsContact C-N 3.34Å; N127-Q131 PolarHBondContact OD1-NE2 3.23Å
128	D	63.9	Low	63.6	Low	76 Å²	76	79.3 Å²	79.3	41%	0.406	39%	0.389	S	S	.	.	H	α-helix	trans	-80.1	-34.4	-176.9	-74.9	-19.1	0	0	0	113.1	D124 H125 K147	D124-D128 VanDerWaalsContact O-CB 3.27Å; D124-D128 WeakPolarHBondContact O-CB 2.99Å; D124-D128 PolarHBondContact O-N 3.47Å; H125-D128 PolarHBondContact O-N 3.34Å; D128-K147 WeakPolarHBondContact OD1-CE 3.41Å; D128-K147 IonicContact OD1-NZ 2.85Å; D128-K147 PolarHBondContact OD1-NZ 3.28Å; D128-K147 IonicContact OD2-NZ 3.19Å; D128-K147 PolarHBondContact OD2-NZ 3.32Å
129	A	61.1	Low	63.5	Low	36 Å²	36	77.7 Å²	77.7	30%	0.298	40%	0.404	S	S	.	.	H	α-helix	trans	-114	-21.4	-168.3	0	0	0	0	0	115.6	H125	H125-A129 VanDerWaalsContact CE1-CB 3.44Å; H125-A129 WeakPolarHBondContact CE1-CB 3.29Å; H125-A129 WeakPolarHBondContact O-CB 2.89Å; H125-A129 PolarHBondContact O-N 2.95Å
130	H	63.2	Low	62.9	Low	63 Å²	63	80 Å²	80	29%	0.292	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-12	-168.9	-65.1	-54.1	0	0	0	115.7	C112 M114 C115 H125 V126	C112-H130 PolarHBondContact SG-NE2 2.88Å; M114-H130 WeakPolarHBondContact CB-CE1 3.42Å; M114-H130 WeakPolarHBondContact CB-NE2 3.25Å; C115-H130 PolarHBondContact SG-NE2 3.45Å; C115-H130 VanDerWaalsContact SG-NE2 3.42Å; H125-H130 AromaticContact CD2-CD2 3.67Å; H125-H130 AromaticContact CD2-NE2 3.91Å; H125-H130 AromaticContact CE1-NE2 3.8Å; H125-H130 AromaticContact NE2-CD2 3.14Å; H125-H130 PolarHBondContact NE2-CD2 3.29Å; H125-H130 AromaticContact NE2-NE2 2.95Å; H125-H130 PolarHBondContact NE2-NE2 2.78Å; V126-H130 HydrophobicContact CG1-CB 4.36Å; V126-H130 CarbonylContact O-C 3.59Å; V126-H130 WeakPolarHBondContact O-CA 3.42Å; V126-H130 PolarHBondContact O-N 3.27Å
131	Q	57.9	Low	62.3	Low	98 Å²	98	78.4 Å²	78.4	46%	0.458	41%	0.414	S	S	.	.	S	Bend	trans	-69.7	144.1	175	-80.8	-168	-4.8	0	0	111.6	V126 N127 L133	V126-Q131 HydrophobicContact CG1-CG 4.36Å; V126-Q131 PolarHBondContact O-N 3.1Å; N127-Q131 PolarHBondContact OD1-NE2 3.23Å; Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.41Å
132	P	47.5	Very low	62.1	Low	130 Å²	130	81.9 Å²	81.9	84%	0.844	43%	0.427	S	S	*	.			trans	-59.7	100.6	165.9	-12.9	26.6	0	0	0	107.5	K134	P132-K134 PolarHBondContact O-N 3.09Å; P132-K134 VanDerWaalsContact O-N 3.09Å
133	L	48.8	Very low	61.5	Low	77 Å²	77	80.6 Å²	80.6	40%	0.403	43%	0.425	S	S	.	.			trans	-52.9	115.6	-164.3	-67	149.6	0	0	0	111.1	Q131 R135 W146	Q131-L133 VanDerWaalsContact C-N 3.34Å; Q131-L133 PolarHBondContact O-N 3.41Å; L133-R135 HydrophobicContact CB-CG 3.44Å; L133-R135 VanDerWaalsContact CB-CG 3.44Å; L133-R135 HydrophobicContact CD1-CG 4.42Å; L133-R135 VanDerWaalsContact CD1-NE 3.28Å; L133-R135 VanDerWaalsContact CD1-NH2 3.28Å; L133-R135 HydrophobicContact CG-CG 4.47Å; L133-R135 PolarHBondContact O-N 3.22Å; L133-W146 HydrophobicContact CD2-CB 4.14Å
134	K	45.8	Very low	60.6	Low	165 Å²	165	79.6 Å²	79.6	72%	0.717	42%	0.419	S	S	*	.			trans	-68.4	84.4	155.4	-159.4	172.7	-173.1	177.3	0	106.5	P132 Y136	P132-K134 PolarHBondContact O-N 3.09Å; P132-K134 VanDerWaalsContact O-N 3.09Å; K134-Y136 VanDerWaalsContact O-CD2 3.27Å; K134-Y136 WeakPolarHBondContact O-CD2 3.5Å; K134-Y136 WeakPolarHBondContact O-CE2 3.39Å; K134-Y136 PolarHBondContact O-N 3.39Å
135	R	62	Low	60.1	Low	157 Å²	157	77.6 Å²	77.6	59%	0.592	41%	0.407	S	S	*	.			trans	-73.4	115	-176.8	-74.9	179.3	176.4	-164.5	0.6	108.2	L133 I137 T144	L133-R135 HydrophobicContact CB-CG 3.44Å; L133-R135 VanDerWaalsContact CB-CG 3.44Å; L133-R135 HydrophobicContact CD1-CG 4.42Å; L133-R135 VanDerWaalsContact CD1-NE 3.28Å; L133-R135 VanDerWaalsContact CD1-NH2 3.28Å; L133-R135 HydrophobicContact CG-CG 4.47Å; L133-R135 PolarHBondContact O-N 3.22Å; R135-I137 PolarHBondContact O-N 3.23Å; R135-T144 HydrophobicContact CB-CG2 3.56Å; R135-T144 HydrophobicContact CG-CG2 3.73Å
136	Y	61.6	Low	59.3	Low	65 Å²	65	85.2 Å²	85.2	26%	0.255	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	112.4	172.5	-64.2	-81.9	0	0	0	108	K134 T144 F145 K147 L148 L151	K134-Y136 VanDerWaalsContact O-CD2 3.27Å; K134-Y136 WeakPolarHBondContact O-CD2 3.5Å; K134-Y136 WeakPolarHBondContact O-CE2 3.39Å; K134-Y136 PolarHBondContact O-N 3.39Å; Y136-T144 CarbonylContact O-C 3.29Å; Y136-F145 PolarHBondContact N-O 3.44Å; Y136-F145 PolarHBondContact O-N 3.26Å; Y136-K147 VanDerWaalsContact CD2-C 3.47Å; Y136-L148 HydrophobicContact CD1-CB 4.13Å; Y136-L148 HydrophobicContact CD1-CD1 3.63Å; Y136-L148 HydrophobicContact CD1-CG 4.47Å; Y136-L148 HydrophobicContact CD2-CB 4.45Å; Y136-L148 HydrophobicContact CE1-CB 3.75Å; Y136-L148 HydrophobicContact CE1-CD1 3.7Å; Y136-L148 HydrophobicContact CE1-CG 4.2Å; Y136-L148 HydrophobicContact CE2-CB 4.1Å; Y136-L148 HydrophobicContact CG-CB 4.45Å; Y136-L148 HydrophobicContact CG-CD1 4.44Å; Y136-L151 HydrophobicContact CD1-CD2 4.48Å
137	I	55.9	Low	59.2	Low	91 Å²	91	87.1 Å²	87.1	47%	0.467	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.2	-178.1	-57	172.5	0	0	0	108.2	R135 G139 Q142 T144	R135-I137 PolarHBondContact O-N 3.23Å; I137-G139 PolarHBondContact O-N 3.21Å; I137-Q142 VanDerWaalsContact CG2-OE1 3.25Å; I137-T144 HydrophobicContact CG1-CG2 4.41Å
138	C	69.4	Low	59.5	Low	2 Å²	2	87.9 Å²	87.9	1%	0.014	44%	0.443	C	S	.	.			trans	-70.5	116.5	170.1	177.4	0	0	0	0	110.4	I140 Q142 K143 F145 L151 H154 H158	C138-I140 PolarHBondContact O-N 3.12Å; C138-I140 VanDerWaalsContact O-N 3.13Å; C138-I140 PolarHBondContact SG-N 2.77Å; C138-I140 VanDerWaalsContact SG-N 3.4Å; C138-Q142 WeakPolarHBondContact O-CA 3.49Å; C138-Q142 PolarHBondContact O-N 3.34Å; C138-K143 PolarHBondContact N-O 2.82Å; C138-F145 HydrophobicContact CB-CE2 4.14Å; C138-L151 HydrophobicContact CB-CD1 3.73Å; C138-H154 VanDerWaalsContact CB-NE2 3.3Å; C138-H154 WeakPolarHBondContact CB-NE2 3.18Å; C138-H154 PolarHBondContact SG-NE2 2.86Å; C138-H158 VanDerWaalsContact SG-CD2 3.56Å; C138-H158 PolarHBondContact SG-NE2 2.75Å
139	G	64	Low	60.2	Low	66 Å²	66	90.7 Å²	90.7	68%	0.68	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.1	176.8	0	0	0	0	0	115	I137	I137-G139 PolarHBondContact O-N 3.21Å
140	I	55.1	Low	60.8	Low	67 Å²	67	91 Å²	91	34%	0.344	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-49.1	-178	-58.5	174.2	0	0	0	111.6	C138 F155 H158 T172	C138-I140 PolarHBondContact O-N 3.12Å; C138-I140 VanDerWaalsContact O-N 3.13Å; C138-I140 PolarHBondContact SG-N 2.77Å; C138-I140 VanDerWaalsContact SG-N 3.4Å; I140-F155 HydrophobicContact CD1-CD2 4.33Å; I140-F155 HydrophobicContact CD1-CE2 3.85Å; I140-H158 HydrophobicContact CD1-CB 3.71Å; I140-T172 WeakPolarHBondContact CG2-OG1 3.22Å
141	C	62.4	Low	61.3	Low	51 Å²	51	89.4 Å²	89.4	35%	0.345	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.5	6.5	-173.3	74.4	0	0	0	0	114.9	K143 H154 H158	C141-K143 PolarHBondContact O-N 3.48Å; C141-K143 VanDerWaalsContact SG-CG 3.52Å; C141-H154 PolarHBondContact SG-CE1 3.15Å; C141-H154 PolarHBondContact SG-NE2 3.27Å; C141-H158 VanDerWaalsContact SG-CE1 3.55Å
142	Q	67.9	Low	62.1	Low	128 Å²	128	90.1 Å²	90.1	60%	0.598	45%	0.451	S	S	*	.			trans	59.3	14.9	178.2	-58.4	-65.4	-20.8	0	0	114.6	I137 C138	I137-Q142 VanDerWaalsContact CG2-OE1 3.25Å; C138-Q142 WeakPolarHBondContact O-CA 3.49Å; C138-Q142 PolarHBondContact O-N 3.34Å
143	K	56.1	Low	63.4	Low	126 Å²	126	87.9 Å²	87.9	55%	0.548	44%	0.435	S	S	.	.			trans	-67.5	136.5	171.9	-76.3	-177.8	-176.5	-178	0	110.2	C138 C141 F145	C138-K143 PolarHBondContact N-O 2.82Å; C141-K143 PolarHBondContact O-N 3.48Å; C141-K143 VanDerWaalsContact SG-CG 3.52Å; K143-F145 HydrophobicContact CB-CE2 3.6Å; K143-F145 HydrophobicContact CB-CZ 3.78Å; K143-F145 HydrophobicContact CD-CZ 4.49Å; K143-F145 WeakPolarHBondContact O-CD2 3.29Å; K143-F145 VanDerWaalsContact O-CE2 3.29Å; K143-F145 WeakPolarHBondContact O-CE2 3.26Å
144	T	54	Low	64.5	Low	73 Å²	73	85.1 Å²	85.1	45%	0.448	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	135.3	-179.1	-43.8	0	0	0	0	111	R135 Y136 I137	R135-T144 HydrophobicContact CB-CG2 3.56Å; R135-T144 HydrophobicContact CG-CG2 3.73Å; Y136-T144 CarbonylContact O-C 3.29Å; I137-T144 HydrophobicContact CG1-CG2 4.41Å
145	F	63	Low	65.6	Low	37 Å²	37	82.8 Å²	82.8	16%	0.162	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.6	179.2	-58.7	-89.3	0	0	0	109.8	Y136 C138 K143 L151 H154	Y136-F145 PolarHBondContact N-O 3.44Å; Y136-F145 PolarHBondContact O-N 3.26Å; C138-F145 HydrophobicContact CB-CE2 4.14Å; K143-F145 HydrophobicContact CB-CE2 3.6Å; K143-F145 HydrophobicContact CB-CZ 3.78Å; K143-F145 HydrophobicContact CD-CZ 4.49Å; K143-F145 WeakPolarHBondContact O-CD2 3.29Å; K143-F145 VanDerWaalsContact O-CE2 3.29Å; K143-F145 WeakPolarHBondContact O-CE2 3.26Å; F145-L151 HydrophobicContact CB-CB 4.21Å; F145-L151 HydrophobicContact CD2-CB 4.05Å; F145-L151 HydrophobicContact CD2-CD1 3.74Å; F145-L151 HydrophobicContact CE2-CD1 3.98Å; F145-L151 HydrophobicContact CG-CB 4.18Å; F145-H154 HydrophobicContact CE1-CB 3.66Å; F145-H154 AromaticContact CE1-CG 3.9Å; F145-H154 HydrophobicContact CE2-CB 3.95Å; F145-H154 AromaticContact CE2-CD2 3.22Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.29Å; F145-H154 AromaticContact CE2-CG 3.56Å; F145-H154 AromaticContact CE2-NE2 3.75Å; F145-H154 HydrophobicContact CZ-CB 3.36Å; F145-H154 AromaticContact CZ-CD2 3.29Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.42Å; F145-H154 AromaticContact CZ-CE1 3.95Å; F145-H154 AromaticContact CZ-CG 3.08Å; F145-H154 AromaticContact CZ-ND1 3.56Å; F145-H154 AromaticContact CZ-NE2 3.79Å
146	W	55.6	Low	66	Low	172 Å²	172	81.7 Å²	81.7	65%	0.652	41%	0.407	S	S	*	.	S	Bend	trans	-93.7	-12.5	178.9	52.8	78.2	0	0	0	113.1	L133	L133-W146 HydrophobicContact CD2-CB 4.14Å
147	K	61.8	Low	66.1	Low	84 Å²	84	84.4 Å²	84.4	37%	0.365	42%	0.42	S	S	.	.	S	Bend	trans	-129	142.1	176.3	-79.5	166.4	-172.1	177.7	0	110.2	D128 Y136 S150 L151	D128-K147 WeakPolarHBondContact OD1-CE 3.41Å; D128-K147 IonicContact OD1-NZ 2.85Å; D128-K147 PolarHBondContact OD1-NZ 3.28Å; D128-K147 IonicContact OD2-NZ 3.19Å; D128-K147 PolarHBondContact OD2-NZ 3.32Å; Y136-K147 VanDerWaalsContact CD2-C 3.47Å; K147-S150 WeakPolarHBondContact O-CB 3.26Å; K147-S150 PolarHBondContact O-N 3.35Å; K147-L151 PolarHBondContact O-N 3.15Å
148	L	72.4	Confident	66.3	Low	81 Å²	81	81.2 Å²	81.2	42%	0.424	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-45	176.7	-179.4	62	0	0	0	110.9	Y136 S150 L151 E152	Y136-L148 HydrophobicContact CD1-CB 4.13Å; Y136-L148 HydrophobicContact CD1-CD1 3.63Å; Y136-L148 HydrophobicContact CD1-CG 4.47Å; Y136-L148 HydrophobicContact CD2-CB 4.45Å; Y136-L148 HydrophobicContact CE1-CB 3.75Å; Y136-L148 HydrophobicContact CE1-CD1 3.7Å; Y136-L148 HydrophobicContact CE1-CG 4.2Å; Y136-L148 HydrophobicContact CE2-CB 4.1Å; Y136-L148 HydrophobicContact CG-CB 4.45Å; Y136-L148 HydrophobicContact CG-CD1 4.44Å; L148-S150 PolarHBondContact O-N 3.05Å; L148-L151 HydrophobicContact CD1-CD2 4.45Å; L148-L151 CarbonylContact O-C 3.51Å; L148-L151 WeakPolarHBondContact O-CA 3.11Å; L148-L151 VanDerWaalsContact O-CB 3.31Å; L148-L151 WeakPolarHBondContact O-CB 3.28Å; L148-L151 PolarHBondContact O-N 3.09Å; L148-E152 HydrophobicContact CG-CG 4.5Å; L148-E152 WeakPolarHBondContact O-CG 3.28Å; L148-E152 PolarHBondContact O-N 3.19Å
149	E	77.9	Confident	65.9	Low	136 Å²	136	91.1 Å²	91.1	64%	0.636	44%	0.44	S	S	*	.	H	α-helix	trans	-56.3	-37.2	175.6	-172.4	-174.6	-177	0	0	112.4	E152 V153	E149-E152 PolarHBondContact O-N 3.33Å; E149-V153 WeakPolarHBondContact O-CG2 2.88Å; E149-V153 PolarHBondContact O-N 3.12Å
150	S	74.5	Confident	65.4	Low	43 Å²	43	94.2 Å²	94.2	30%	0.301	44%	0.437	S	S	.	.	H	α-helix	trans	-68.9	-34.2	175.1	-61.3	0	0	0	0	112.4	K147 L148 H154	K147-S150 WeakPolarHBondContact O-CB 3.26Å; K147-S150 PolarHBondContact O-N 3.35Å; L148-S150 PolarHBondContact O-N 3.05Å; S150-H154 VanDerWaalsContact O-CB 3.26Å; S150-H154 WeakPolarHBondContact O-CB 3.44Å; S150-H154 PolarHBondContact O-N 2.8Å; S150-H154 VanDerWaalsContact O-N 3.13Å
151	L	74	Confident	65.4	Low	29 Å²	29	95 Å²	95	15%	0.152	44%	0.44	C	S	.	.	H	α-helix	trans	-67.5	-40.1	170.3	172.9	64.7	0	0	0	111	Y136 C138 F145 K147 L148 H154 F155	Y136-L151 HydrophobicContact CD1-CD2 4.48Å; C138-L151 HydrophobicContact CB-CD1 3.73Å; F145-L151 HydrophobicContact CB-CB 4.21Å; F145-L151 HydrophobicContact CD2-CB 4.05Å; F145-L151 HydrophobicContact CD2-CD1 3.74Å; F145-L151 HydrophobicContact CE2-CD1 3.98Å; F145-L151 HydrophobicContact CG-CB 4.18Å; K147-L151 PolarHBondContact O-N 3.15Å; L148-L151 HydrophobicContact CD1-CD2 4.45Å; L148-L151 CarbonylContact O-C 3.51Å; L148-L151 WeakPolarHBondContact O-CA 3.11Å; L148-L151 VanDerWaalsContact O-CB 3.31Å; L148-L151 WeakPolarHBondContact O-CB 3.28Å; L148-L151 PolarHBondContact O-N 3.09Å; L151-H154 CarbonylContact O-C 3.59Å; L151-H154 WeakPolarHBondContact O-CB 3.4Å; L151-H154 PolarHBondContact O-N 3.46Å; L151-F155 WeakPolarHBondContact O-CB 3.25Å; L151-F155 PolarHBondContact O-N 3.38Å
152	E	74.1	Confident	64.7	Low	113 Å²	113	96.7 Å²	96.7	53%	0.528	45%	0.453	S	S	.	.	H	α-helix	trans	-64.3	-47.6	178.9	-70.8	172.4	174	0	0	112.3	L148 E149 H154 F155 Y156	L148-E152 HydrophobicContact CG-CG 4.5Å; L148-E152 WeakPolarHBondContact O-CG 3.28Å; L148-E152 PolarHBondContact O-N 3.19Å; E149-E152 PolarHBondContact O-N 3.33Å; E152-H154 PolarHBondContact O-N 2.78Å; E152-F155 WeakPolarHBondContact O-CA 3.37Å; E152-F155 WeakPolarHBondContact O-CB 3.47Å; E152-F155 PolarHBondContact O-N 2.79Å; E152-Y156 PolarHBondContact O-N 3.33Å
153	V	75.9	Confident	64.6	Low	83 Å²	83	92.8 Å²	92.8	50%	0.503	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-37.7	173.6	173.7	0	0	0	0	110.8	E149 K157	E149-V153 WeakPolarHBondContact O-CG2 2.88Å; E149-V153 PolarHBondContact O-N 3.12Å; V153-K157 PolarHBondContact O-N 2.85Å
154	H	71.6	Confident	65.1	Low	18 Å²	18	89.4 Å²	89.4	8%	0.083	42%	0.424	C	S	.	.	H	α-helix	trans	-66.8	-38.1	172.8	169.3	66.8	0	0	0	112.9	C138 C141 F145 S150 L151 E152 Y156 K157 H158	C138-H154 VanDerWaalsContact CB-NE2 3.3Å; C138-H154 WeakPolarHBondContact CB-NE2 3.18Å; C138-H154 PolarHBondContact SG-NE2 2.86Å; C141-H154 PolarHBondContact SG-CE1 3.15Å; C141-H154 PolarHBondContact SG-NE2 3.27Å; F145-H154 HydrophobicContact CE1-CB 3.66Å; F145-H154 AromaticContact CE1-CG 3.9Å; F145-H154 HydrophobicContact CE2-CB 3.95Å; F145-H154 AromaticContact CE2-CD2 3.22Å; F145-H154 WeakPolarHBondContact CE2-CD2 3.29Å; F145-H154 AromaticContact CE2-CG 3.56Å; F145-H154 AromaticContact CE2-NE2 3.75Å; F145-H154 HydrophobicContact CZ-CB 3.36Å; F145-H154 AromaticContact CZ-CD2 3.29Å; F145-H154 WeakPolarHBondContact CZ-CD2 3.42Å; F145-H154 AromaticContact CZ-CE1 3.95Å; F145-H154 AromaticContact CZ-CG 3.08Å; F145-H154 AromaticContact CZ-ND1 3.56Å; F145-H154 AromaticContact CZ-NE2 3.79Å; S150-H154 VanDerWaalsContact O-CB 3.26Å; S150-H154 WeakPolarHBondContact O-CB 3.44Å; S150-H154 PolarHBondContact O-N 2.8Å; S150-H154 VanDerWaalsContact O-N 3.13Å; L151-H154 CarbonylContact O-C 3.59Å; L151-H154 WeakPolarHBondContact O-CB 3.4Å; L151-H154 PolarHBondContact O-N 3.46Å; E152-H154 PolarHBondContact O-N 2.78Å; H154-Y156 VanDerWaalsContact C-N 3.33Å; H154-K157 WeakPolarHBondContact O-CB 3.08Å; H154-K157 PolarHBondContact O-N 3.08Å; H154-K157 VanDerWaalsContact O-N 3.11Å; H154-H158 AromaticContact CD2-NE2 3.66Å; H154-H158 AromaticContact CE1-CD2 3.95Å; H154-H158 AromaticContact CE1-CE1 3.74Å; H154-H158 AromaticContact CE1-NE2 3.13Å; H154-H158 PolarHBondContact CE1-NE2 3.4Å; H154-H158 AromaticContact NE2-CD2 3.63Å; H154-H158 AromaticContact NE2-CE1 3.8Å; H154-H158 AromaticContact NE2-NE2 2.84Å; H154-H158 PolarHBondContact NE2-NE2 2.84Å; H154-H158 PolarHBondContact O-N 3.11Å
155	F	68.4	Low	65.9	Low	116 Å²	116	89.8 Å²	89.8	51%	0.509	43%	0.427	S	S	.	.	H	α-helix	trans	-64.8	-38.7	177	-165	-97.4	0	0	0	111.4	I140 L151 E152 K157 H158 R159	I140-F155 HydrophobicContact CD1-CD2 4.33Å; I140-F155 HydrophobicContact CD1-CE2 3.85Å; L151-F155 WeakPolarHBondContact O-CB 3.25Å; L151-F155 PolarHBondContact O-N 3.38Å; E152-F155 WeakPolarHBondContact O-CA 3.37Å; E152-F155 WeakPolarHBondContact O-CB 3.47Å; E152-F155 PolarHBondContact O-N 2.79Å; F155-K157 PolarHBondContact O-N 3.13Å; F155-H158 WeakPolarHBondContact O-CB 3.48Å; F155-H158 PolarHBondContact O-N 3.02Å; F155-R159 PolarHBondContact O-N 3.11Å; F155-R159 VanDerWaalsContact O-N 3.11Å
156	Y	71	Confident	66.3	Low	135 Å²	135	88.5 Å²	88.5	53%	0.529	42%	0.423	S	S	.	.	H	α-helix	trans	-60.4	-34.3	171.9	-169.9	-105.6	0	0	0	112.5	E152 H154 R159 Q160	E152-Y156 PolarHBondContact O-N 3.33Å; H154-Y156 VanDerWaalsContact C-N 3.33Å; Y156-R159 WeakPolarHBondContact O-CB 3.31Å; Y156-R159 PolarHBondContact O-N 3.4Å; Y156-R159 VanDerWaalsContact O-N 3.14Å; Y156-Q160 HydrophobicContact CD1-CG 4.41Å; Y156-Q160 VanDerWaalsContact CE1-CD 3.48Å; Y156-Q160 HydrophobicContact CE1-CG 4.09Å; Y156-Q160 PolarHBondContact O-N 2.95Å; Y156-Q160 VanDerWaalsContact O-N 3.08Å; Y156-Q160 PolarHBondContact OH-NE2 3.17Å
157	K	62.4	Low	67.2	Low	122 Å²	122	85.4 Å²	85.4	53%	0.53	43%	0.425	S	S	.	.	H	α-helix	trans	-66.1	-34.3	172.3	-65.2	175.5	-177.4	179.6	0	112.4	V153 H154 F155 R159 Q160 I161	V153-K157 PolarHBondContact O-N 2.85Å; H154-K157 WeakPolarHBondContact O-CB 3.08Å; H154-K157 PolarHBondContact O-N 3.08Å; H154-K157 VanDerWaalsContact O-N 3.11Å; F155-K157 PolarHBondContact O-N 3.13Å; K157-R159 VanDerWaalsContact C-N 3.29Å; K157-R159 PolarHBondContact O-N 3.24Å; K157-Q160 PolarHBondContact O-N 3.05Å; K157-I161 HydrophobicContact CB-CD1 4.4Å; K157-I161 VanDerWaalsContact O-CB 3.27Å; K157-I161 WeakPolarHBondContact O-CB 3.38Å; K157-I161 VanDerWaalsContact O-CD1 3.23Å; K157-I161 WeakPolarHBondContact O-CD1 3.38Å; K157-I161 WeakPolarHBondContact O-CG1 3.22Å; K157-I161 PolarHBondContact O-N 2.87Å
158	H	60.5	Low	67.6	Low	23 Å²	23	87.9 Å²	87.9	11%	0.106	44%	0.436	C	S	.	.	H	α-helix	trans	-64.7	-36.1	170.3	-70.3	-59	0	0	0	112.3	C138 I140 C141 H154 F155 Q160 I161	C138-H158 VanDerWaalsContact SG-CD2 3.56Å; C138-H158 PolarHBondContact SG-NE2 2.75Å; I140-H158 HydrophobicContact CD1-CB 3.71Å; C141-H158 VanDerWaalsContact SG-CE1 3.55Å; H154-H158 AromaticContact CD2-NE2 3.66Å; H154-H158 AromaticContact CE1-CD2 3.95Å; H154-H158 AromaticContact CE1-CE1 3.74Å; H154-H158 AromaticContact CE1-NE2 3.13Å; H154-H158 PolarHBondContact CE1-NE2 3.4Å; H154-H158 AromaticContact NE2-CD2 3.63Å; H154-H158 AromaticContact NE2-CE1 3.8Å; H154-H158 AromaticContact NE2-NE2 2.84Å; H154-H158 PolarHBondContact NE2-NE2 2.84Å; H154-H158 PolarHBondContact O-N 3.11Å; F155-H158 WeakPolarHBondContact O-CB 3.48Å; F155-H158 PolarHBondContact O-N 3.02Å; H158-Q160 VanDerWaalsContact C-N 3.3Å; H158-Q160 PolarHBondContact O-N 3.29Å; H158-I161 PolarHBondContact O-N 2.98Å
159	R	61.9	Low	67.7	Low	210 Å²	210	86.1 Å²	86.1	79%	0.792	43%	0.429	S	S	*	.	H	α-helix	trans	-69.2	-28.2	179.6	-157.6	174.8	174.9	174.6	-1.7	113	F155 Y156 K157	F155-R159 PolarHBondContact O-N 3.11Å; F155-R159 VanDerWaalsContact O-N 3.11Å; Y156-R159 WeakPolarHBondContact O-CB 3.31Å; Y156-R159 PolarHBondContact O-N 3.4Å; Y156-R159 VanDerWaalsContact O-N 3.14Å; K157-R159 VanDerWaalsContact C-N 3.29Å; K157-R159 PolarHBondContact O-N 3.24Å
160	Q	52.4	Low	67.2	Low	132 Å²	132	87.7 Å²	87.7	62%	0.617	44%	0.442	S	S	*	.	H	α-helix	trans	-95.1	-18.7	176.4	-66.4	-167.9	-12.1	0	0	114.1	Y156 K157 H158	Y156-Q160 HydrophobicContact CD1-CG 4.41Å; Y156-Q160 VanDerWaalsContact CE1-CD 3.48Å; Y156-Q160 HydrophobicContact CE1-CG 4.09Å; Y156-Q160 PolarHBondContact O-N 2.95Å; Y156-Q160 VanDerWaalsContact O-N 3.08Å; Y156-Q160 PolarHBondContact OH-NE2 3.17Å; K157-Q160 PolarHBondContact O-N 3.05Å; H158-Q160 VanDerWaalsContact C-N 3.3Å; H158-Q160 PolarHBondContact O-N 3.29Å
161	I	54.8	Low	66.6	Low	82 Å²	82	93.1 Å²	93.1	42%	0.421	46%	0.456	S	S	.	.	S	Bend	trans	-78.8	122.4	172.1	-73	163.6	0	0	0	106.9	K157 H158 T163	K157-I161 HydrophobicContact CB-CD1 4.4Å; K157-I161 VanDerWaalsContact O-CB 3.27Å; K157-I161 WeakPolarHBondContact O-CB 3.38Å; K157-I161 VanDerWaalsContact O-CD1 3.23Å; K157-I161 WeakPolarHBondContact O-CD1 3.38Å; K157-I161 WeakPolarHBondContact O-CG1 3.22Å; K157-I161 PolarHBondContact O-N 2.87Å; H158-I161 PolarHBondContact O-N 2.98Å; I161-T163 HydrophobicContact CG2-CG2 4.17Å; I161-T163 PolarHBondContact O-N 3.47Å
162	S	49.4	Very low	65.9	Low	88 Å²	88	94.4 Å²	94.4	62%	0.615	47%	0.465	S	S	*	.			trans	-65	86.3	167	76.1	0	0	0	0	108.1
163	T	65	Low	65.6	Low	45 Å²	45	90.7 Å²	90.7	28%	0.276	45%	0.448	S	S	.	.			trans	-65.1	142	168.2	54.2	0	0	0	0	107.6	I161 P165 F173	I161-T163 HydrophobicContact CG2-CG2 4.17Å; I161-T163 PolarHBondContact O-N 3.47Å; T163-P165 WeakPolarHBondContact O-CD 3Å; T163-F173 CarbonylContact C-O 3.55Å; T163-F173 WeakPolarHBondContact CA-O 3.27Å
164	F	67.2	Low	65.1	Low	56 Å²	56	91.3 Å²	91.3	25%	0.246	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	91.4	173.1	-63.3	-82.6	0	0	0	106.7	F173 Q176 L179	F164-F173 HydrophobicContact CB-CB 4.32Å; F164-F173 PolarHBondContact N-O 3.03Å; F164-F173 WeakPolarHBondContact O-CD2 3.34Å; F164-F173 PolarHBondContact O-N 3.12Å; F164-Q176 HydrophobicContact CD1-CB 4.05Å; F164-Q176 HydrophobicContact CD1-CG 4.4Å; F164-Q176 HydrophobicContact CD2-CB 4.25Å; F164-Q176 HydrophobicContact CE1-CB 3.72Å; F164-Q176 HydrophobicContact CE1-CG 4.19Å; F164-Q176 HydrophobicContact CE2-CB 3.95Å; F164-Q176 HydrophobicContact CG-CB 4.28Å; F164-Q176 HydrophobicContact CZ-CB 3.67Å; F164-L179 HydrophobicContact CB-CB 3.72Å; F164-L179 HydrophobicContact CB-CD2 3.62Å; F164-L179 HydrophobicContact CB-CG 4.21Å
165	P	69	Low	65	Low	81 Å²	81	96.6 Å²	96.6	53%	0.526	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	143.8	179.1	29.5	-36.1	0	0	0	109.7	T163 T172	T163-P165 WeakPolarHBondContact O-CD 3Å; P165-T172 HydrophobicContact CB-CG2 4.33Å
166	C	72	Confident	65.3	Low	10 Å²	10	95.7 Å²	95.7	7%	0.068	48%	0.475	C	S	.	.			trans	-72.6	129.6	167.7	-176	0	0	0	0	109.8	K168 C169 R171 F173 L179 H182 H186	C166-K168 PolarHBondContact O-N 3.13Å; C166-K168 PolarHBondContact SG-N 3.08Å; C166-C169 WeakPolarHBondContact CB-O 3.46Å; C166-R171 WeakPolarHBondContact CB-O 3.46Å; C166-R171 PolarHBondContact N-O 3.28Å; C166-F173 HydrophobicContact CB-CE2 4.36Å; C166-L179 HydrophobicContact CB-CD1 4.09Å; C166-H182 WeakPolarHBondContact CB-NE2 3.33Å; C166-H182 VanDerWaalsContact SG-CD2 3.51Å; C166-H182 PolarHBondContact SG-NE2 3.07Å; C166-H186 PolarHBondContact SG-CD2 3.4Å; C166-H186 PolarHBondContact SG-NE2 3.19Å
167	P	74.9	Confident	65.4	Low	107 Å²	107	93.8 Å²	93.8	70%	0.695	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-5	174.9	29.8	-35.7	0	0	0	113.8	L183	P167-L183 HydrophobicContact CG-CD2 4Å
168	K	70.9	Confident	65.8	Low	136 Å²	136	88.8 Å²	88.8	59%	0.591	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.7	-4.5	-174.7	-68.3	-179.6	173.8	-171.7	0	114.1	C166 H186	C166-K168 PolarHBondContact O-N 3.13Å; C166-K168 PolarHBondContact SG-N 3.08Å; K168-H186 VanDerWaalsContact CB-CE1 3.46Å; K168-H186 WeakPolarHBondContact CB-CE1 2.95Å; K168-H186 HydrophobicContact CD-CB 3.54Å
169	C	72.8	Confident	66.4	Low	43 Å²	43	88.4 Å²	88.4	29%	0.291	45%	0.454	S	S	.	.	S	Bend	trans	-162.2	169.1	174.4	69.7	0	0	0	0	111.7	C166 R171 H182	C166-C169 WeakPolarHBondContact CB-O 3.46Å; C169-R171 PolarHBondContact O-N 3.05Å; C169-H182 VanDerWaalsContact SG-CE1 3.53Å; C169-H182 PolarHBondContact SG-NE2 3.4Å
170	D	67.8	Low	67	Low	170 Å²	170	81 Å²	81	91%	0.909	44%	0.435	S	S	*	.	S	Bend	trans	-74.1	11.2	-174.6	-55	-35	0	0	0	115
171	R	61.8	Low	67.8	Low	156 Å²	156	81.6 Å²	81.6	59%	0.589	43%	0.432	S	S	*	.			trans	-80.5	135.8	179.3	-68.9	-172.3	177.7	-171.4	1.1	111.2	C166 C169 F173	C166-R171 WeakPolarHBondContact CB-O 3.46Å; C166-R171 PolarHBondContact N-O 3.28Å; C169-R171 PolarHBondContact O-N 3.05Å; R171-F173 HydrophobicContact CB-CE2 3.78Å; R171-F173 HydrophobicContact CB-CZ 3.94Å
172	T	60	Low	68.8	Low	57 Å²	57	78.3 Å²	78.3	35%	0.35	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143	174	54.7	0	0	0	0	110.5	I140 P165	I140-T172 WeakPolarHBondContact CG2-OG1 3.22Å; P165-T172 HydrophobicContact CB-CG2 4.33Å
173	F	68.1	Low	69.9	Low	35 Å²	35	76.8 Å²	76.8	15%	0.154	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.9	-176.5	-62.9	-89	0	0	0	110.6	T163 F164 C166 R171 K175 A178 L179 H182	T163-F173 CarbonylContact C-O 3.55Å; T163-F173 WeakPolarHBondContact CA-O 3.27Å; F164-F173 HydrophobicContact CB-CB 4.32Å; F164-F173 PolarHBondContact N-O 3.03Å; F164-F173 WeakPolarHBondContact O-CD2 3.34Å; F164-F173 PolarHBondContact O-N 3.12Å; C166-F173 HydrophobicContact CB-CE2 4.36Å; R171-F173 HydrophobicContact CB-CE2 3.78Å; R171-F173 HydrophobicContact CB-CZ 3.94Å; F173-K175 PolarHBondContact O-N 2.81Å; F173-A178 HydrophobicContact CB-CB 4.2Å; F173-A178 HydrophobicContact CD1-CB 3.78Å; F173-A178 HydrophobicContact CG-CB 4.35Å; F173-L179 HydrophobicContact CB-CB 4.07Å; F173-L179 HydrophobicContact CD2-CB 3.96Å; F173-L179 HydrophobicContact CD2-CD1 3.68Å; F173-L179 HydrophobicContact CD2-CG 4.44Å; F173-L179 HydrophobicContact CE2-CD1 3.98Å; F173-L179 HydrophobicContact CG-CB 4.09Å; F173-H182 HydrophobicContact CE1-CB 3.68Å; F173-H182 HydrophobicContact CE2-CB 3.74Å; F173-H182 AromaticContact CE2-CD2 3.26Å; F173-H182 WeakPolarHBondContact CE2-CD2 3.08Å; F173-H182 AromaticContact CE2-CG 3.48Å; F173-H182 VanDerWaalsContact CE2-CG 3.48Å; F173-H182 AromaticContact CE2-NE2 3.92Å; F173-H182 HydrophobicContact CZ-CB 3.22Å; F173-H182 AromaticContact CZ-CD2 3.43Å; F173-H182 VanDerWaalsContact CZ-CD2 3.43Å; F173-H182 WeakPolarHBondContact CZ-CD2 3.4Å; F173-H182 AromaticContact CZ-CG 3.12Å; F173-H182 AromaticContact CZ-ND1 3.64Å
174	S	66.1	Low	70.1	Confident	95 Å²	95	80.6 Å²	80.6	66%	0.664	41%	0.409	S	S	*	.	S	Bend	trans	-78	-7.2	178.9	62.1	0	0	0	0	113.8
175	K	68.2	Low	70	Confident	129 Å²	129	80.9 Å²	80.9	56%	0.561	41%	0.413	S	S	*	.	S	Bend	trans	-148.6	147.9	-179.3	-61.3	-175.3	178.4	-174.7	0	110.4	F173 D177 A178 L179	F173-K175 PolarHBondContact O-N 2.81Å; K175-D177 WeakPolarHBondContact CB-OD1 3.35Å; K175-D177 PolarHBondContact O-N 2.95Å; K175-A178 PolarHBondContact O-N 3.42Å; K175-L179 PolarHBondContact O-N 2.85Å
176	Q	75.1	Confident	70.1	Confident	97 Å²	97	80.2 Å²	80.2	45%	0.453	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-38	-177.7	-178.9	64.2	-23.2	0	0	112.4	F164 A178 L179 S180	F164-Q176 HydrophobicContact CD1-CB 4.05Å; F164-Q176 HydrophobicContact CD1-CG 4.4Å; F164-Q176 HydrophobicContact CD2-CB 4.25Å; F164-Q176 HydrophobicContact CE1-CB 3.72Å; F164-Q176 HydrophobicContact CE1-CG 4.19Å; F164-Q176 HydrophobicContact CE2-CB 3.95Å; F164-Q176 HydrophobicContact CG-CB 4.28Å; F164-Q176 HydrophobicContact CZ-CB 3.67Å; Q176-A178 VanDerWaalsContact C-N 3.28Å; Q176-A178 PolarHBondContact O-N 3.28Å; Q176-L179 PolarHBondContact O-N 2.91Å; Q176-L179 VanDerWaalsContact O-N 3.15Å; Q176-S180 PolarHBondContact O-N 2.86Å; Q176-S180 PolarHBondContact O-OG 3.14Å; Q176-S180 VanDerWaalsContact O-OG 3.05Å
177	D	72.9	Confident	69.9	Low	96 Å²	96	83.1 Å²	83.1	51%	0.513	43%	0.427	S	S	.	.	H	α-helix	trans	-59.6	-37.2	176.8	65.3	-26.2	0	0	0	112.6	K175 S180 R181	K175-D177 WeakPolarHBondContact CB-OD1 3.35Å; K175-D177 PolarHBondContact O-N 2.95Å; D177-S180 PolarHBondContact O-N 3.45Å; D177-R181 WeakPolarHBondContact O-CB 3.29Å; D177-R181 PolarHBondContact O-N 3.35Å
178	A	70.1	Confident	69.2	Low	17 Å²	17	80.8 Å²	80.8	14%	0.14	42%	0.422	C	S	.	.	H	α-helix	trans	-70.2	-39.4	175.8	0	0	0	0	0	111.7	F173 K175 Q176 H182	F173-A178 HydrophobicContact CB-CB 4.2Å; F173-A178 HydrophobicContact CD1-CB 3.78Å; F173-A178 HydrophobicContact CG-CB 4.35Å; K175-A178 PolarHBondContact O-N 3.42Å; Q176-A178 VanDerWaalsContact C-N 3.28Å; Q176-A178 PolarHBondContact O-N 3.28Å; A178-H182 WeakPolarHBondContact O-CB 3.49Å; A178-H182 PolarHBondContact O-N 3.12Å
179	L	75.1	Confident	68.5	Low	14 Å²	14	77.7 Å²	77.7	7%	0.073	42%	0.415	C	S	.	.	H	α-helix	trans	-63.1	-47.9	170.3	175.2	63.4	0	0	0	110.7	F164 C166 F173 K175 Q176 R181 H182 L183	F164-L179 HydrophobicContact CB-CB 3.72Å; F164-L179 HydrophobicContact CB-CD2 3.62Å; F164-L179 HydrophobicContact CB-CG 4.21Å; C166-L179 HydrophobicContact CB-CD1 4.09Å; F173-L179 HydrophobicContact CB-CB 4.07Å; F173-L179 HydrophobicContact CD2-CB 3.96Å; F173-L179 HydrophobicContact CD2-CD1 3.68Å; F173-L179 HydrophobicContact CD2-CG 4.44Å; F173-L179 HydrophobicContact CE2-CD1 3.98Å; F173-L179 HydrophobicContact CG-CB 4.09Å; K175-L179 PolarHBondContact O-N 2.85Å; Q176-L179 PolarHBondContact O-N 2.91Å; Q176-L179 VanDerWaalsContact O-N 3.15Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.85Å; L179-H182 CarbonylContact O-C 3.49Å; L179-H182 WeakPolarHBondContact O-CA 3.3Å; L179-H182 WeakPolarHBondContact O-CB 3Å; L179-H182 PolarHBondContact O-N 2.77Å; L179-L183 HydrophobicContact CD1-CD1 4.23Å; L179-L183 HydrophobicContact CD1-CD2 4.29Å; L179-L183 HydrophobicContact CD1-CG 3.9Å; L179-L183 HydrophobicContact CD2-CD1 4.29Å; L179-L183 HydrophobicContact CG-CD1 3.91Å; L179-L183 HydrophobicContact CG-CG 4.07Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.21Å
180	S	73.7	Confident	67.7	Low	56 Å²	56	80.7 Å²	80.7	39%	0.392	42%	0.423	S	S	.	.	H	α-helix	trans	-58.2	-41.6	178.8	-57.2	0	0	0	0	111.9	Q176 D177 H182 L183 R184	Q176-S180 PolarHBondContact O-N 2.86Å; Q176-S180 PolarHBondContact O-OG 3.14Å; Q176-S180 VanDerWaalsContact O-OG 3.05Å; D177-S180 PolarHBondContact O-N 3.45Å; S180-H182 VanDerWaalsContact C-N 3.32Å; S180-H182 PolarHBondContact O-N 3.28Å; S180-L183 PolarHBondContact O-N 3.49Å; S180-R184 PolarHBondContact O-N 3.08Å
181	R	69.9	Low	67.3	Low	143 Å²	143	75 Å²	75	54%	0.54	40%	0.4	S	S	.	.	H	α-helix	trans	-64.9	-35.9	173.8	-180	170.4	60.1	-146.9	-5.7	112.4	D177 L179 R184	D177-R181 WeakPolarHBondContact O-CB 3.29Å; D177-R181 PolarHBondContact O-N 3.35Å; L179-R181 VanDerWaalsContact C-N 3.3Å; L179-R181 PolarHBondContact O-N 2.85Å; R181-R184 WeakPolarHBondContact O-CB 3.22Å
182	H	75.1	Confident	67.3	Low	13 Å²	13	70.1 Å²	70.1	6%	0.06	39%	0.385	C	S	.	.	H	α-helix	trans	-72	-40.1	176.1	168.3	70.6	0	0	0	113	C166 C169 F173 A178 L179 S180 R184 L185 H186	C166-H182 WeakPolarHBondContact CB-NE2 3.33Å; C166-H182 VanDerWaalsContact SG-CD2 3.51Å; C166-H182 PolarHBondContact SG-NE2 3.07Å; C169-H182 VanDerWaalsContact SG-CE1 3.53Å; C169-H182 PolarHBondContact SG-NE2 3.4Å; F173-H182 HydrophobicContact CE1-CB 3.68Å; F173-H182 HydrophobicContact CE2-CB 3.74Å; F173-H182 AromaticContact CE2-CD2 3.26Å; F173-H182 WeakPolarHBondContact CE2-CD2 3.08Å; F173-H182 AromaticContact CE2-CG 3.48Å; F173-H182 VanDerWaalsContact CE2-CG 3.48Å; F173-H182 AromaticContact CE2-NE2 3.92Å; F173-H182 HydrophobicContact CZ-CB 3.22Å; F173-H182 AromaticContact CZ-CD2 3.43Å; F173-H182 VanDerWaalsContact CZ-CD2 3.43Å; F173-H182 WeakPolarHBondContact CZ-CD2 3.4Å; F173-H182 AromaticContact CZ-CG 3.12Å; F173-H182 AromaticContact CZ-ND1 3.64Å; A178-H182 WeakPolarHBondContact O-CB 3.49Å; A178-H182 PolarHBondContact O-N 3.12Å; L179-H182 CarbonylContact O-C 3.49Å; L179-H182 WeakPolarHBondContact O-CA 3.3Å; L179-H182 WeakPolarHBondContact O-CB 3Å; L179-H182 PolarHBondContact O-N 2.77Å; S180-H182 VanDerWaalsContact C-N 3.32Å; S180-H182 PolarHBondContact O-N 3.28Å; H182-R184 PolarHBondContact O-N 2.84Å; H182-L185 WeakPolarHBondContact O-CA 3.27Å; H182-L185 WeakPolarHBondContact O-CB 3.3Å; H182-L185 PolarHBondContact O-N 3.13Å; H182-H186 AromaticContact CE1-CD2 3.93Å; H182-H186 AromaticContact CE1-NE2 3.54Å; H182-H186 AromaticContact NE2-CD2 3.55Å; H182-H186 AromaticContact NE2-NE2 3.22Å; H182-H186 PolarHBondContact NE2-NE2 3.47Å
183	L	72.2	Confident	67.1	Low	57 Å²	57	77 Å²	77	30%	0.298	40%	0.404	S	S	.	.	H	α-helix	trans	-59.8	-31.6	176.2	-73.8	174.9	0	0	0	112.4	P167 L179 S180 L185 H186 A187	P167-L183 HydrophobicContact CG-CD2 4Å; L179-L183 HydrophobicContact CD1-CD1 4.23Å; L179-L183 HydrophobicContact CD1-CD2 4.29Å; L179-L183 HydrophobicContact CD1-CG 3.9Å; L179-L183 HydrophobicContact CD2-CD1 4.29Å; L179-L183 HydrophobicContact CG-CD1 3.91Å; L179-L183 HydrophobicContact CG-CG 4.07Å; L179-L183 WeakPolarHBondContact O-CG 3.44Å; L179-L183 PolarHBondContact O-N 3.21Å; S180-L183 PolarHBondContact O-N 3.49Å; L183-L185 PolarHBondContact O-N 3.17Å; L183-H186 PolarHBondContact O-N 3.45Å; L183-A187 PolarHBondContact O-N 2.99Å
184	R	69.8	Low	67.1	Low	125 Å²	125	75.8 Å²	75.8	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-57.5	-31.8	170.6	-73.4	-170.7	-65.9	-154.7	-2.2	112.7	S180 R181 H182 A187 G188 V189	S180-R184 PolarHBondContact O-N 3.08Å; R181-R184 WeakPolarHBondContact O-CB 3.22Å; H182-R184 PolarHBondContact O-N 2.84Å; R184-A187 PolarHBondContact O-N 3.47Å; R184-G188 PolarHBondContact O-N 2.72Å; R184-V189 HydrophobicContact CB-CB 3.99Å; R184-V189 HydrophobicContact CB-CG1 4.39Å; R184-V189 HydrophobicContact CG-CB 4.37Å; R184-V189 HydrophobicContact CG-CG1 4.49Å; R184-V189 WeakPolarHBondContact O-CA 3.43Å; R184-V189 WeakPolarHBondContact O-CB 3.31Å; R184-V189 PolarHBondContact O-N 3.45Å
185	L	64	Low	66.9	Low	62 Å²	62	80.6 Å²	80.6	33%	0.325	41%	0.41	S	S	.	.	H	α-helix	trans	-69.7	-35.8	175.2	-52.9	174.4	0	0	0	111.8	H182 L183 G188 A191 N202	H182-L185 WeakPolarHBondContact O-CA 3.27Å; H182-L185 WeakPolarHBondContact O-CB 3.3Å; H182-L185 PolarHBondContact O-N 3.13Å; L183-L185 PolarHBondContact O-N 3.17Å; L185-G188 PolarHBondContact O-N 3.12Å; L185-A191 HydrophobicContact CD2-CB 4.27Å; L185-N202 HydrophobicContact CD2-CB 4.05Å
186	H	71.6	Confident	66.3	Low	67 Å²	67	79 Å²	79	31%	0.31	40%	0.404	S	S	.	.	H	α-helix	trans	-74.5	-25.6	172.9	-74.6	-67.6	0	0	0	113.6	C166 K168 H182 L183 G188	C166-H186 PolarHBondContact SG-CD2 3.4Å; C166-H186 PolarHBondContact SG-NE2 3.19Å; K168-H186 VanDerWaalsContact CB-CE1 3.46Å; K168-H186 WeakPolarHBondContact CB-CE1 2.95Å; K168-H186 HydrophobicContact CD-CB 3.54Å; H182-H186 AromaticContact CE1-CD2 3.93Å; H182-H186 AromaticContact CE1-NE2 3.54Å; H182-H186 AromaticContact NE2-CD2 3.55Å; H182-H186 AromaticContact NE2-NE2 3.22Å; H182-H186 PolarHBondContact NE2-NE2 3.47Å; L183-H186 PolarHBondContact O-N 3.45Å; H186-G188 PolarHBondContact O-N 3.39Å
187	A	67.7	Low	66.3	Low	71 Å²	71	76.4 Å²	76.4	59%	0.587	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	7	176.4	0	0	0	0	0	112.8	L183 R184 V189	L183-A187 PolarHBondContact O-N 2.99Å; R184-A187 PolarHBondContact O-N 3.47Å; A187-V189 HydrophobicContact CB-CG2 4.06Å; A187-V189 PolarHBondContact O-N 3.34Å; A187-V189 VanDerWaalsContact O-N 3.13Å
188	G	60.2	Low	66.3	Low	58 Å²	58	78.9 Å²	78.9	60%	0.598	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	8.6	-176.6	0	0	0	0	0	113.9	R184 L185 H186 K190	R184-G188 PolarHBondContact O-N 2.72Å; L185-G188 PolarHBondContact O-N 3.12Å; H186-G188 PolarHBondContact O-N 3.39Å; G188-K190 VanDerWaalsContact C-N 3.34Å; G188-K190 PolarHBondContact O-N 3.17Å
189	V	57.3	Low	66.2	Low	71 Å²	71	82.6 Å²	82.6	43%	0.43	43%	0.429	S	S	.	.			trans	-77.8	90.8	177.2	-176.6	0	0	0	0	107.8	R184 A187 A191	R184-V189 HydrophobicContact CB-CB 3.99Å; R184-V189 HydrophobicContact CB-CG1 4.39Å; R184-V189 HydrophobicContact CG-CB 4.37Å; R184-V189 HydrophobicContact CG-CG1 4.49Å; R184-V189 WeakPolarHBondContact O-CA 3.43Å; R184-V189 WeakPolarHBondContact O-CB 3.31Å; R184-V189 PolarHBondContact O-N 3.45Å; A187-V189 HydrophobicContact CB-CG2 4.06Å; A187-V189 PolarHBondContact O-N 3.34Å; A187-V189 VanDerWaalsContact O-N 3.13Å; V189-A191 PolarHBondContact O-N 3.42Å; V189-A191 VanDerWaalsContact O-N 3.08Å
190	K	54.7	Low	65.9	Low	106 Å²	106	82.4 Å²	82.4	46%	0.461	43%	0.43	S	S	.	.			trans	-56.1	109.4	177.2	-71.7	158.9	159.6	-140.7	0	110.4	G188 A200	G188-K190 VanDerWaalsContact C-N 3.34Å; G188-K190 PolarHBondContact O-N 3.17Å; K190-A200 VanDerWaalsContact CB-C 3.44Å; K190-A200 HydrophobicContact CB-CB 3.17Å; K190-A200 HydrophobicContact CD-CB 3.84Å; K190-A200 WeakPolarHBondContact CD-O 3.34Å; K190-A200 WeakPolarHBondContact CE-O 3.34Å; K190-A200 HydrophobicContact CG-CB 4.03Å; K190-A200 VanDerWaalsContact CG-O 3.31Å; K190-A200 WeakPolarHBondContact CG-O 3.24Å; K190-A200 PolarHBondContact NZ-O 3.26Å
191	A	59.1	Low	65.5	Low	51 Å²	51	80.9 Å²	80.9	42%	0.421	42%	0.416	S	S	.	.	S	Bend	trans	-77.9	-20.4	-171	0	0	0	0	0	114	L185 V189 F201	L185-A191 HydrophobicContact CD2-CB 4.27Å; V189-A191 PolarHBondContact O-N 3.42Å; V189-A191 VanDerWaalsContact O-N 3.08Å; A191-F201 PolarHBondContact N-O 3.2Å
192	N	62.4	Low	65.1	Low	52 Å²	52	77.9 Å²	77.9	28%	0.278	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	98.8	-179.7	-51.5	-73.6	0	0	0	108.4	A200 F201 I207	N192-A200 CarbonylContact O-C 3.44Å; N192-A200 WeakPolarHBondContact O-CA 3.49Å; N192-F201 HydrophobicContact CB-CB 4.37Å; N192-F201 WeakPolarHBondContact CB-O 3.38Å; N192-F201 PolarHBondContact N-O 3.29Å; N192-F201 PolarHBondContact ND2-O 2.88Å; N192-F201 VanDerWaalsContact ND2-O 3.09Å; N192-F201 PolarHBondContact O-N 3.47Å; N192-I207 HydrophobicContact CB-CB 4.03Å; N192-I207 HydrophobicContact CB-CD1 3.67Å; N192-I207 HydrophobicContact CB-CG1 4.43Å; N192-I207 HydrophobicContact CB-CG2 3.93Å
193	R	55.7	Low	64.4	Low	201 Å²	201	83 Å²	83	76%	0.758	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.5	175.9	-63.2	-177	175.6	-172.1	-3.1	109.5	A200 I207	R193-A200 HydrophobicContact CB-CB 4.38Å; R193-A200 HydrophobicContact CG-CB 3.89Å; R193-I207 WeakPolarHBondContact O-CD1 3.41Å
194	C	68.2	Low	63.9	Low	10 Å²	10	87.5 Å²	87.5	7%	0.068	45%	0.45	C	S	.	.			trans	-66.2	145.4	168	-171.9	0	0	0	0	109.8	H196 Q199 H210 H214	C194-H196 PolarHBondContact SG-N 3.38Å; C194-Q199 WeakPolarHBondContact CB-O 3.36Å; C194-Q199 PolarHBondContact N-O 2.79Å; C194-H210 VanDerWaalsContact CB-CD2 3.46Å; C194-H210 WeakPolarHBondContact CB-CD2 3.46Å; C194-H210 WeakPolarHBondContact CB-NE2 3.23Å; C194-H210 PolarHBondContact SG-CD2 2.74Å; C194-H210 PolarHBondContact SG-NE2 3.11Å; C194-H214 PolarHBondContact SG-NE2 3.11Å; C194-H214 VanDerWaalsContact SG-NE2 3.35Å
195	F	62.6	Low	64	Low	197 Å²	197	87.2 Å²	87.2	86%	0.864	46%	0.456	S	S	*	.	S	Bend	trans	-81.4	-27.8	173.7	-174.1	-101.3	0	0	0	112.3
196	H	56	Low	64	Low	96 Å²	96	87 Å²	87	44%	0.444	45%	0.454	S	S	.	.	S	Bend	trans	-89.6	-16.2	-177.1	-62.3	-77	0	0	0	114	C194 H214 Y215	C194-H196 PolarHBondContact SG-N 3.38Å; H196-H214 HydrophobicContact CB-CB 4.48Å; H196-Y215 PolarHBondContact CE1-OH 3.14Å; H196-Y215 AromaticContact NE2-CZ 3.87Å; H196-Y215 PolarHBondContact NE2-OH 3.46Å
197	C	74.1	Confident	63.7	Low	42 Å²	42	84.8 Å²	84.8	28%	0.284	44%	0.444	S	S	.	.	S	Bend	trans	-155.1	177.9	174.6	72.4	0	0	0	0	112.5	Q199 H210 H214	C197-Q199 PolarHBondContact O-N 2.88Å; C197-Q199 PolarHBondContact SG-N 3.38Å; C197-H210 PolarHBondContact SG-CE1 2.9Å; C197-H210 PolarHBondContact SG-NE2 3.05Å; C197-H214 PolarHBondContact SG-CE1 3.01Å; C197-H214 PolarHBondContact SG-NE2 2.91Å
198	T	73.1	Confident	63.7	Low	148 Å²	148	86.5 Å²	86.5	91%	0.908	44%	0.439	S	S	*	.	S	Bend	trans	-74.9	-2	-177.6	57.2	0	0	0	0	114.2
199	Q	68.4	Low	64.2	Low	94 Å²	94	87.2 Å²	87.2	44%	0.439	43%	0.429	S	S	.	.			trans	-69.4	144.7	-179.5	-66.1	-153.1	58.2	0	0	111.6	C194 C197 F201 H210	C194-Q199 WeakPolarHBondContact CB-O 3.36Å; C194-Q199 PolarHBondContact N-O 2.79Å; C197-Q199 PolarHBondContact O-N 2.88Å; C197-Q199 PolarHBondContact SG-N 3.38Å; Q199-F201 HydrophobicContact CB-CE2 3.8Å; Q199-F201 HydrophobicContact CB-CZ 3.71Å; Q199-H210 PolarHBondContact NE2-CE1 3.02Å; Q199-H210 VanDerWaalsContact NE2-CE1 3.35Å
200	A	67.6	Low	64.9	Low	10 Å²	10	84.5 Å²	84.5	8%	0.083	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	153.8	179	0	0	0	0	0	111	K190 N192 R193	K190-A200 VanDerWaalsContact CB-C 3.44Å; K190-A200 HydrophobicContact CB-CB 3.17Å; K190-A200 HydrophobicContact CD-CB 3.84Å; K190-A200 WeakPolarHBondContact CD-O 3.34Å; K190-A200 WeakPolarHBondContact CE-O 3.34Å; K190-A200 HydrophobicContact CG-CB 4.03Å; K190-A200 VanDerWaalsContact CG-O 3.31Å; K190-A200 WeakPolarHBondContact CG-O 3.24Å; K190-A200 PolarHBondContact NZ-O 3.26Å; N192-A200 CarbonylContact O-C 3.44Å; N192-A200 WeakPolarHBondContact O-CA 3.49Å; R193-A200 HydrophobicContact CB-CB 4.38Å; R193-A200 HydrophobicContact CG-CB 3.89Å
201	F	66.7	Low	65.3	Low	25 Å²	25	81.6 Å²	81.6	11%	0.11	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	-166	-56	-84.3	0	0	0	111.3	A191 N192 Q199 E206 I207 H210	A191-F201 PolarHBondContact N-O 3.2Å; N192-F201 HydrophobicContact CB-CB 4.37Å; N192-F201 WeakPolarHBondContact CB-O 3.38Å; N192-F201 PolarHBondContact N-O 3.29Å; N192-F201 PolarHBondContact ND2-O 2.88Å; N192-F201 VanDerWaalsContact ND2-O 3.09Å; N192-F201 PolarHBondContact O-N 3.47Å; Q199-F201 HydrophobicContact CB-CE2 3.8Å; Q199-F201 HydrophobicContact CB-CZ 3.71Å; F201-E206 HydrophobicContact CB-CB 4Å; F201-E206 HydrophobicContact CD1-CB 3.73Å; F201-E206 HydrophobicContact CG-CB 4.17Å; F201-I207 HydrophobicContact CB-CB 3.96Å; F201-I207 HydrophobicContact CD2-CB 3.66Å; F201-I207 HydrophobicContact CD2-CD1 4.46Å; F201-I207 HydrophobicContact CD2-CG1 3.91Å; F201-I207 HydrophobicContact CG-CB 3.95Å; F201-H210 HydrophobicContact CD1-CB 4.43Å; F201-H210 HydrophobicContact CD2-CB 4.29Å; F201-H210 HydrophobicContact CE1-CB 3.64Å; F201-H210 AromaticContact CE1-CG 3.98Å; F201-H210 HydrophobicContact CE2-CB 3.51Å; F201-H210 AromaticContact CE2-CD2 3.24Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.3Å; F201-H210 AromaticContact CE2-CG 3.27Å; F201-H210 AromaticContact CE2-ND1 3.98Å; F201-H210 AromaticContact CE2-NE2 3.9Å; F201-H210 HydrophobicContact CZ-CB 3.15Å; F201-H210 AromaticContact CZ-CD2 3.51Å; F201-H210 AromaticContact CZ-CG 3.01Å; F201-H210 AromaticContact CZ-ND1 3.41Å; F201-H210 WeakPolarHBondContact CZ-ND1 3.05Å
202	N	61.7	Low	65.6	Low	80 Å²	80	84.5 Å²	84.5	43%	0.428	40%	0.4	S	S	.	.	S	Bend	trans	-96.4	-20.1	-178.9	66.4	13.9	0	0	0	112.2	L185 E206	L185-N202 HydrophobicContact CD2-CB 4.05Å; N202-E206 PolarHBondContact OD1-OE1 2.89Å; N202-E206 PolarHBondContact OD1-OE2 3.23Å
203	K	60.3	Low	66	Low	120 Å²	120	85 Å²	85	52%	0.522	41%	0.408	S	S	.	.	S	Bend	trans	-112.5	149.4	172.1	-61.3	-177.1	-158.4	117.3	0	112.1	I205 E206 I207	K203-I205 VanDerWaalsContact C-N 3.3Å; K203-I205 PolarHBondContact O-N 3.46Å; K203-E206 HydrophobicContact CB-CB 4.35Å; K203-E206 HydrophobicContact CB-CG 3.94Å; K203-E206 VanDerWaalsContact CD-OE1 3.31Å; K203-E206 WeakPolarHBondContact CD-OE1 3.35Å; K203-E206 WeakPolarHBondContact CE-OE1 3.37Å; K203-E206 IonicContact NZ-OE1 2.75Å; K203-E206 PolarHBondContact NZ-OE1 3.19Å; K203-E206 PolarHBondContact O-N 3.27Å; K203-I207 PolarHBondContact O-N 3.18Å
204	K	61	Low	66.7	Low	152 Å²	152	78.2 Å²	78.2	66%	0.661	39%	0.385	S	S	*	.	H	α-helix	trans	-62.9	-35.5	174.8	-174.7	171	176.6	175.8	0	112.1	I207 F208	K204-I207 WeakPolarHBondContact O-CG2 3.33Å; K204-F208 HydrophobicContact CD-CE2 4.24Å; K204-F208 HydrophobicContact CG-CD2 4.03Å; K204-F208 HydrophobicContact CG-CE2 3.67Å; K204-F208 WeakPolarHBondContact O-CD2 3.47Å; K204-F208 PolarHBondContact O-N 2.86Å
205	I	71.3	Confident	66.1	Low	118 Å²	118	84.1 Å²	84.1	61%	0.605	41%	0.407	S	S	*	.	H	α-helix	trans	-65.5	-44.3	178	-65.3	165.9	0	0	0	110.8	K203 I207 F208 D209	K203-I205 VanDerWaalsContact C-N 3.3Å; K203-I205 PolarHBondContact O-N 3.46Å; I205-I207 PolarHBondContact O-N 2.91Å; I205-F208 WeakPolarHBondContact O-CB 3.26Å; I205-F208 PolarHBondContact O-N 3.1Å; I205-F208 VanDerWaalsContact O-N 3.09Å; I205-D209 PolarHBondContact O-N 2.82Å
206	E	64.9	Low	65.3	Low	57 Å²	57	83.2 Å²	83.2	27%	0.266	40%	0.402	S	S	.	.	H	α-helix	trans	-64.8	-37.3	-177.6	-65.9	168	-168.7	0	0	113.1	F201 N202 K203 H210	F201-E206 HydrophobicContact CB-CB 4Å; F201-E206 HydrophobicContact CD1-CB 3.73Å; F201-E206 HydrophobicContact CG-CB 4.17Å; N202-E206 PolarHBondContact OD1-OE1 2.89Å; N202-E206 PolarHBondContact OD1-OE2 3.23Å; K203-E206 HydrophobicContact CB-CB 4.35Å; K203-E206 HydrophobicContact CB-CG 3.94Å; K203-E206 VanDerWaalsContact CD-OE1 3.31Å; K203-E206 WeakPolarHBondContact CD-OE1 3.35Å; K203-E206 WeakPolarHBondContact CE-OE1 3.37Å; K203-E206 IonicContact NZ-OE1 2.75Å; K203-E206 PolarHBondContact NZ-OE1 3.19Å; K203-E206 PolarHBondContact O-N 3.27Å; E206-H210 VanDerWaalsContact O-CB 3.32Å; E206-H210 WeakPolarHBondContact O-CB 3.4Å; E206-H210 PolarHBondContact O-N 3.13Å
207	I	64.7	Low	64.1	Low	22 Å²	22	86.7 Å²	86.7	11%	0.113	42%	0.418	C	S	.	.	H	α-helix	trans	-68.1	-35.6	172.8	-175.7	167.1	0	0	0	111.8	N192 R193 F201 K203 K204 I205 H210 I211	N192-I207 HydrophobicContact CB-CB 4.03Å; N192-I207 HydrophobicContact CB-CD1 3.67Å; N192-I207 HydrophobicContact CB-CG1 4.43Å; N192-I207 HydrophobicContact CB-CG2 3.93Å; R193-I207 WeakPolarHBondContact O-CD1 3.41Å; F201-I207 HydrophobicContact CB-CB 3.96Å; F201-I207 HydrophobicContact CD2-CB 3.66Å; F201-I207 HydrophobicContact CD2-CD1 4.46Å; F201-I207 HydrophobicContact CD2-CG1 3.91Å; F201-I207 HydrophobicContact CG-CB 3.95Å; K203-I207 PolarHBondContact O-N 3.18Å; K204-I207 WeakPolarHBondContact O-CG2 3.33Å; I205-I207 PolarHBondContact O-N 2.91Å; I207-H210 PolarHBondContact O-N 3.35Å; I207-I211 HydrophobicContact CD1-CD1 4.36Å; I207-I211 HydrophobicContact CG1-CD1 3.8Å; I207-I211 HydrophobicContact CG1-CG1 4.14Å; I207-I211 WeakPolarHBondContact O-CB 3.37Å; I207-I211 WeakPolarHBondContact O-CG1 3.48Å; I207-I211 PolarHBondContact O-N 3.26Å
208	F	67.2	Low	61.9	Low	107 Å²	107	90.1 Å²	90.1	47%	0.469	44%	0.44	S	S	.	.	H	α-helix	trans	-66.3	-42.6	175.7	-82.6	-64.6	0	0	0	112.2	K204 I205 H210 I211 R212	K204-F208 HydrophobicContact CD-CE2 4.24Å; K204-F208 HydrophobicContact CG-CD2 4.03Å; K204-F208 HydrophobicContact CG-CE2 3.67Å; K204-F208 WeakPolarHBondContact O-CD2 3.47Å; K204-F208 PolarHBondContact O-N 2.86Å; I205-F208 WeakPolarHBondContact O-CB 3.26Å; I205-F208 PolarHBondContact O-N 3.1Å; I205-F208 VanDerWaalsContact O-N 3.09Å; F208-H210 VanDerWaalsContact C-N 3.29Å; F208-H210 PolarHBondContact O-N 3.26Å; F208-I211 PolarHBondContact O-N 3.11Å; F208-R212 PolarHBondContact O-N 2.99Å; F208-R212 VanDerWaalsContact O-N 3.14Å
209	D	71.2	Confident	60	Low	73 Å²	73	87.4 Å²	87.4	39%	0.39	43%	0.427	S	S	.	.	H	α-helix	trans	-63.4	-39.3	175.5	-64.5	-24.3	0	0	0	111.2	I205 R212 S213	I205-D209 PolarHBondContact O-N 2.82Å; D209-R212 PolarHBondContact O-N 2.92Å; D209-R212 IonicContact OD1-CZ 3.99Å; D209-R212 IonicContact OD1-NH1 3.41Å; D209-R212 PolarHBondContact OD1-NH1 3.01Å; D209-R212 IonicContact OD1-NH2 3.13Å; D209-R212 PolarHBondContact OD1-NH2 2.85Å; D209-S213 PolarHBondContact O-N 3.25Å
210	H	71.8	Confident	58.1	Low	13 Å²	13	89 Å²	89	6%	0.06	44%	0.443	C	S	.	.	H	α-helix	trans	-66.6	-43.1	174.3	170.7	72.5	0	0	0	113.5	C194 C197 Q199 F201 E206 I207 F208 R212 S213 H214	C194-H210 VanDerWaalsContact CB-CD2 3.46Å; C194-H210 WeakPolarHBondContact CB-CD2 3.46Å; C194-H210 WeakPolarHBondContact CB-NE2 3.23Å; C194-H210 PolarHBondContact SG-CD2 2.74Å; C194-H210 PolarHBondContact SG-NE2 3.11Å; C197-H210 PolarHBondContact SG-CE1 2.9Å; C197-H210 PolarHBondContact SG-NE2 3.05Å; Q199-H210 PolarHBondContact NE2-CE1 3.02Å; Q199-H210 VanDerWaalsContact NE2-CE1 3.35Å; F201-H210 HydrophobicContact CD1-CB 4.43Å; F201-H210 HydrophobicContact CD2-CB 4.29Å; F201-H210 HydrophobicContact CE1-CB 3.64Å; F201-H210 AromaticContact CE1-CG 3.98Å; F201-H210 HydrophobicContact CE2-CB 3.51Å; F201-H210 AromaticContact CE2-CD2 3.24Å; F201-H210 WeakPolarHBondContact CE2-CD2 3.3Å; F201-H210 AromaticContact CE2-CG 3.27Å; F201-H210 AromaticContact CE2-ND1 3.98Å; F201-H210 AromaticContact CE2-NE2 3.9Å; F201-H210 HydrophobicContact CZ-CB 3.15Å; F201-H210 AromaticContact CZ-CD2 3.51Å; F201-H210 AromaticContact CZ-CG 3.01Å; F201-H210 AromaticContact CZ-ND1 3.41Å; F201-H210 WeakPolarHBondContact CZ-ND1 3.05Å; E206-H210 VanDerWaalsContact O-CB 3.32Å; E206-H210 WeakPolarHBondContact O-CB 3.4Å; E206-H210 PolarHBondContact O-N 3.13Å; I207-H210 PolarHBondContact O-N 3.35Å; F208-H210 VanDerWaalsContact C-N 3.29Å; F208-H210 PolarHBondContact O-N 3.26Å; H210-R212 PolarHBondContact O-N 3.24Å; H210-S213 WeakPolarHBondContact O-CB 3.36Å; H210-S213 PolarHBondContact O-N 3.33Å; H210-S213 PolarHBondContact O-OG 3.42Å; H210-H214 AromaticContact CD2-NE2 3.78Å; H210-H214 AromaticContact CE1-NE2 3.24Å; H210-H214 PolarHBondContact CE1-NE2 3.32Å; H210-H214 AromaticContact NE2-CD2 3.71Å; H210-H214 AromaticContact NE2-CE1 3.98Å; H210-H214 AromaticContact NE2-NE2 2.92Å; H210-H214 PolarHBondContact NE2-NE2 3.42Å; H210-H214 PolarHBondContact O-CD2 3.31Å
211	I	62.7	Low	56.4	Low	45 Å²	45	93.5 Å²	93.5	23%	0.231	46%	0.462	C	S	.	.	H	α-helix	trans	-57.2	-41.3	176.4	-71.9	165.4	0	0	0	109.4	I207 F208 S213 H214 Y215	I207-I211 HydrophobicContact CD1-CD1 4.36Å; I207-I211 HydrophobicContact CG1-CD1 3.8Å; I207-I211 HydrophobicContact CG1-CG1 4.14Å; I207-I211 WeakPolarHBondContact O-CB 3.37Å; I207-I211 WeakPolarHBondContact O-CG1 3.48Å; I207-I211 PolarHBondContact O-N 3.26Å; F208-I211 PolarHBondContact O-N 3.11Å; I211-S213 PolarHBondContact O-N 3.28Å; I211-H214 WeakPolarHBondContact O-CB 3.27Å; I211-H214 PolarHBondContact O-N 2.86Å; I211-H214 VanDerWaalsContact O-N 3.13Å; I211-Y215 HydrophobicContact CG2-CE2 3.99Å; I211-Y215 VanDerWaalsContact O-CD2 3.22Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å
212	R	67.2	Low	54.7	Low	112 Å²	112	97 Å²	97	42%	0.423	48%	0.481	S	S	.	.	H	α-helix	trans	-60.7	-26.4	175.1	-71	-174	-127.4	117.8	12.5	114	F208 D209 H210 H214 Y215	F208-R212 PolarHBondContact O-N 2.99Å; F208-R212 VanDerWaalsContact O-N 3.14Å; D209-R212 PolarHBondContact O-N 2.92Å; D209-R212 IonicContact OD1-CZ 3.99Å; D209-R212 IonicContact OD1-NH1 3.41Å; D209-R212 PolarHBondContact OD1-NH1 3.01Å; D209-R212 IonicContact OD1-NH2 3.13Å; D209-R212 PolarHBondContact OD1-NH2 2.85Å; H210-R212 PolarHBondContact O-N 3.24Å; R212-H214 VanDerWaalsContact C-N 3.33Å; R212-Y215 PolarHBondContact O-N 3.5Å
213	S	70.3	Confident	53.2	Low	63 Å²	63	97.3 Å²	97.3	44%	0.441	49%	0.486	S	S	.	.	H	α-helix	trans	-70.2	-26.6	177.1	74.9	0	0	0	0	113.6	D209 H210 I211 Y215 K216	D209-S213 PolarHBondContact O-N 3.25Å; H210-S213 WeakPolarHBondContact O-CB 3.36Å; H210-S213 PolarHBondContact O-N 3.33Å; H210-S213 PolarHBondContact O-OG 3.42Å; I211-S213 PolarHBondContact O-N 3.28Å; S213-Y215 PolarHBondContact O-N 3.08Å; S213-K216 PolarHBondContact O-N 3.47Å
214	H	69.7	Low	51.9	Low	59 Å²	59	95.1 Å²	95.1	27%	0.273	48%	0.483	S	S	.	.	H	α-helix	trans	-67.4	-23.2	175.7	-72.6	-72.9	0	0	0	113.1	C194 H196 C197 H210 I211 R212	C194-H214 PolarHBondContact SG-NE2 3.11Å; C194-H214 VanDerWaalsContact SG-NE2 3.35Å; H196-H214 HydrophobicContact CB-CB 4.48Å; C197-H214 PolarHBondContact SG-CE1 3.01Å; C197-H214 PolarHBondContact SG-NE2 2.91Å; H210-H214 AromaticContact CD2-NE2 3.78Å; H210-H214 AromaticContact CE1-NE2 3.24Å; H210-H214 PolarHBondContact CE1-NE2 3.32Å; H210-H214 AromaticContact NE2-CD2 3.71Å; H210-H214 AromaticContact NE2-CE1 3.98Å; H210-H214 AromaticContact NE2-NE2 2.92Å; H210-H214 PolarHBondContact NE2-NE2 3.42Å; H210-H214 PolarHBondContact O-CD2 3.31Å; I211-H214 WeakPolarHBondContact O-CB 3.27Å; I211-H214 PolarHBondContact O-N 2.86Å; I211-H214 VanDerWaalsContact O-N 3.13Å; R212-H214 VanDerWaalsContact C-N 3.33Å
215	Y	56.2	Low	50.5	Low	134 Å²	134	90.9 Å²	90.9	53%	0.525	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	2.3	-175.9	-58.7	-81.3	0	0	0	113	H196 I211 R212 S213 H217	H196-Y215 PolarHBondContact CE1-OH 3.14Å; H196-Y215 AromaticContact NE2-CZ 3.87Å; H196-Y215 PolarHBondContact NE2-OH 3.46Å; I211-Y215 HydrophobicContact CG2-CE2 3.99Å; I211-Y215 VanDerWaalsContact O-CD2 3.22Å; I211-Y215 WeakPolarHBondContact O-CD2 3.4Å; R212-Y215 PolarHBondContact O-N 3.5Å; S213-Y215 PolarHBondContact O-N 3.08Å; Y215-H217 PolarHBondContact O-N 3.19Å
216	K	45.5	Very low	48.6	Very low	178 Å²	178	88.6 Å²	88.6	77%	0.774	47%	0.468	S	S	*	.			trans	-85.1	78.1	173	-88.1	-171.6	172.1	-174.3	0	110.7	S213	S213-K216 PolarHBondContact O-N 3.47Å
217	H	30.8	Very low	47.3	Very low	169 Å²	169	94.1 Å²	94.1	78%	0.782	49%	0.491	S	S	*	.			trans	-91.4	139.8	155	-84.7	-72.2	0	0	0	110.2	Y215	Y215-H217 PolarHBondContact O-N 3.19Å
218	P	27.8	Very low	45.9	Very low	113 Å²	113	100.3 Å²	100.3	73%	0.734	52%	0.519	S	S	*	.			trans	-84.5	133.4	-169	34.3	-31.3	0	0	0	109.7
219	S	33.8	Very low	44.2	Very low	92 Å²	92	99.4 Å²	99.4	64%	0.643	54%	0.539	S	S	*	.			trans	-143.5	112.6	170.2	-56	0	0	0	0	110.7	H221	S219-H221 PolarHBondContact O-N 3.38Å
220	T	28.7	Very low	42.8	Very low	126 Å²	126	99.1 Å²	99.1	77%	0.773	55%	0.554	S	S	*	*			trans	-66.8	46.4	-175.7	41.5	0	0	0	0	114.2
221	H	30.4	Very low	40.6	Very low	105 Å²	105	105.8 Å²	105.8	49%	0.486	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.6	109.4	178.7	-63.3	-54.4	0	0	0	111.2	S219 V223 I236	S219-H221 PolarHBondContact O-N 3.38Å; H221-V223 PolarHBondContact O-N 3.06Å; H221-I236 HydrophobicContact CB-CG2 4.24Å
222	I	31	Very low	39.4	Very low	98 Å²	98	108.4 Å²	108.4	50%	0.503	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.8	115.6	163.3	-59.6	179.1	0	0	0	107.3	V224 D239	I222-V224 HydrophobicContact CG2-CG2 4.05Å; I222-D239 WeakPolarHBondContact CD1-OD2 3.45Å
223	V	30.8	Very low	37.8	Very low	87 Å²	87	108.5 Å²	108.5	53%	0.527	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.6	107.7	174.3	179.4	0	0	0	0	108	H221 T234	H221-V223 PolarHBondContact O-N 3.06Å; V223-T234 HydrophobicContact CG1-CG2 3.17Å
224	V	32.6	Very low	35.9	Very low	75 Å²	75	108.9 Å²	108.9	46%	0.455	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.6	118.9	172.7	-176	0	0	0	0	108.5	I222 T226 T235	I222-V224 HydrophobicContact CG2-CG2 4.05Å; V224-T226 HydrophobicContact CG1-CG2 4.42Å; V224-T235 PolarHBondContact O-N 2.96Å
225	A	31.9	Very low	34.2	Very low	63 Å²	63	110 Å²	110	52%	0.521	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.1	117.7	174.8	0	0	0	0	0	109.1	I232	A225-I232 HydrophobicContact CB-CG2 3.77Å
226	T	32.4	Very low	33.2	Very low	70 Å²	70	109.1 Å²	109.1	43%	0.429	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.2	137.4	171.4	56.2	0	0	0	0	109.8	V224 D233	V224-T226 HydrophobicContact CG1-CG2 4.42Å; T226-D233 PolarHBondContact N-O 2.91Å; T226-D233 VanDerWaalsContact N-O 3.08Å; T226-D233 PolarHBondContact O-N 3.21Å
227	K	36.5	Very low	32.8	Very low	173 Å²	173	104.5 Å²	104.5	75%	0.752	61%	0.608	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	109.7	-178.8	-176.5	-175.4	177.8	-175.3	0	109.1
228	H	34.8	Very low	33	Very low	151 Å²	151	100.2 Å²	100.2	70%	0.699	60%	0.601	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-115.4	119.7	166.2	-80.8	-76.1	0	0	0	109.1	G230 H231	H228-G230 VanDerWaalsContact C-N 3.33Å; H228-G230 PolarHBondContact O-N 3.13Å; H228-H231 PolarHBondContact N-O 2.62Å; H228-H231 PolarHBondContact O-N 3.48Å
229	G	33.1	Very low	33.3	Very low	88 Å²	88	100.2 Å²	100.2	91%	0.907	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.5	37.8	162.6	0	0	0	0	0	117.2
230	G	40.7	Very low	33.3	Very low	67 Å²	67	99.8 Å²	99.8	69%	0.691	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.5	-10	178.6	0	0	0	0	0	115.3	H228	H228-G230 VanDerWaalsContact C-N 3.33Å; H228-G230 PolarHBondContact O-N 3.13Å
231	H	26.8	Very low	33.7	Very low	154 Å²	154	102.8 Å²	102.8	71%	0.713	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.1	138.3	168.5	-84.2	-98.2	0	0	0	110.9	H228	H228-H231 PolarHBondContact N-O 2.62Å; H228-H231 PolarHBondContact O-N 3.48Å
232	I	35.9	Very low	34	Very low	100 Å²	100	107.4 Å²	107.4	51%	0.513	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.6	107	168.8	-60.8	174	0	0	0	106	A225	A225-I232 HydrophobicContact CB-CG2 3.77Å
233	D	33.4	Very low	34	Very low	113 Å²	113	111.3 Å²	111.3	60%	0.604	63%	0.634	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-90.1	128	173.1	-136	-18.2	0	0	0	108.6	T226	T226-D233 PolarHBondContact N-O 2.91Å; T226-D233 VanDerWaalsContact N-O 3.08Å; T226-D233 PolarHBondContact O-N 3.21Å
234	T	32.4	Very low	34.1	Very low	72 Å²	72	114 Å²	114	44%	0.442	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118	103.6	-171.5	-45.5	0	0	0	0	108.3	V223	V223-T234 HydrophobicContact CG1-CG2 3.17Å
235	T	33.8	Very low	34.2	Very low	81 Å²	81	118.6 Å²	118.6	50%	0.497	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.7	128.4	178	-48.6	0	0	0	0	109.2	V224 V237	V224-T235 PolarHBondContact O-N 2.96Å; T235-V237 HydrophobicContact CG2-CG2 4.31Å; T235-V237 PolarHBondContact O-N 2.75Å
236	I	34.2	Very low	34.4	Very low	116 Å²	116	125 Å²	125	60%	0.595	68%	0.682	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.1	109	170.4	-58.3	172.6	0	0	0	106.3	H221	H221-I236 HydrophobicContact CB-CG2 4.24Å
237	V	36.3	Very low	34.3	Very low	82 Å²	82	128 Å²	128	50%	0.497	70%	0.7	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99	124	173.2	-170.7	0	0	0	0	107.2	T235 D239	T235-V237 HydrophobicContact CG2-CG2 4.31Å; T235-V237 PolarHBondContact O-N 2.75Å; V237-D239 PolarHBondContact O-N 2.78Å
238	A	35.9	Very low	34	Very low	78 Å²	78	124.6 Å²	124.6	65%	0.645	70%	0.698	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-68.3	119.4	169.4	0	0	0	0	0	108	A240	A238-A240 PolarHBondContact O-N 2.96Å
239	D	34.1	Very low	34.2	Very low	114 Å²	114	123.9 Å²	123.9	61%	0.61	70%	0.699	S	S	*	*			trans	-75.5	97.1	177.5	-152.4	-8.9	0	0	0	108.8	I222 V237 K241	I222-D239 WeakPolarHBondContact CD1-OD2 3.45Å; V237-D239 PolarHBondContact O-N 2.78Å; D239-K241 PolarHBondContact O-N 3Å
240	A	32.8	Very low	34.3	Very low	83 Å²	83	128.2 Å²	128.2	69%	0.686	70%	0.696	S	S	*	*			trans	-89.9	87.7	172.1	0	0	0	0	0	108.3	A238	A238-A240 PolarHBondContact O-N 2.96Å
241	K	38.3	Very low	33.8	Very low	188 Å²	188	136.3 Å²	136.3	82%	0.817	71%	0.705	S	S	*	*			trans	179.8	108.9	156.2	-100.1	152.2	-169.6	-173.9	0	112.9	D239	D239-K241 PolarHBondContact O-N 3Å
242	K	36.4	Very low	34.3	Very low	202 Å²	202	136 Å²	136	88%	0.878	71%	0.709	S	S	*	*			trans	144.9	78.8	134.3	-79.6	-175.5	176.4	-173.4	0	111
243	E	30	Very low	34.5	Very low	181 Å²	181	140.7 Å²	140.7	85%	0.846	73%	0.729	S	S	*	*			trans	-60	127.2	133.6	-71.7	172.2	147.9	0	0	106.8
244	D	34.8	Very low	34.6	Very low	143 Å²	143	144.3 Å²	144.3	77%	0.765	74%	0.744	S	S	*	*			trans	155.7	129	142.4	-76.1	-22.1	0	0	0	111.3
245	Q	34.3	Very low	34.7	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	76%	0.764	S	S	*	*			trans	66.6	97.9	170.9	-91.3	91.4	23.7	0	0	119.1
246	E	34.6	Very low	34.9	Very low	198 Å²	198	148 Å²	148	93%	0.925	77%	0.768	S	S	*	*				-166.3	88.3	119.3	-103.2	170.8	-164	0	0	108.9
247	T	31.4	Very low	35.1	Very low	132 Å²	132	150.1 Å²	150.1	81%	0.81	78%	0.781	S	S	*	*			trans	-118.8	144.1	162.9	51.7	0	0	0	0	107.6
248	S	30.9	Very low	34.9	Very low	101 Å²	101	149.5 Å²	149.5	71%	0.706	79%	0.791	S	S	*	*			trans	84.6	108.6	-166.2	104.4	0	0	0	0	109.9
249	D	37.2	Very low	34.8	Very low	136 Å²	136	154.3 Å²	154.3	73%	0.727	81%	0.805	S	S	*	*				-145.8	136	65	-68.6	-32.2	0	0	0	114.3
250	E	36.3	Very low	34.6	Very low	179 Å²	179	156.3 Å²	156.3	84%	0.836	81%	0.811	S	S	*	*			trans	75.5	77.4	138.3	-63.1	176.5	166.5	0	0	119	D252	E250-D252 PolarHBondContact O-N 3.03Å
251	R	29.7	Very low	34.5	Very low	237 Å²	237	161.9 Å²	161.9	89%	0.894	82%	0.82	S	S	*	*				-53.2	118	129.5	-74.5	175.4	179.8	166.1	0.8	108.4
252	D	37	Very low	34.3	Very low	147 Å²	147	159.9 Å²	159.9	79%	0.786	81%	0.813	S	S	*	*			trans	-178.8	96.3	140.2	-90	-22.8	0	0	0	110	E250	E250-D252 PolarHBondContact O-N 3.03Å
253	Q	41.7	Very low	34	Very low	200 Å²	200	154.5 Å²	154.5	94%	0.935	80%	0.801	S	S	*	*			trans	-179.2	93	134.9	-96.6	146.5	31	0	0	110
254	M	34.8	Very low	34	Very low	188 Å²	188	156.9 Å²	156.9	93%	0.926	80%	0.802	S	S	*	*			trans	-76.9	147.5	162.8	-72.3	-177.2	166.5	0	0	110.7
255	N	33.8	Very low	33.6	Very low	159 Å²	159	154.7 Å²	154.7	85%	0.85	80%	0.798	S	S	*	*			trans	85.2	111.5	141.9	-140.4	7.1	0	0	0	118.1
256	A	38.1	Very low	33.5	Very low	71 Å²	71	155.8 Å²	155.8	59%	0.587	80%	0.803	S	S	*	*				-179	133.6	106.1	0	0	0	0	0	111.4
257	N	38.1	Very low	33.2	Very low	161 Å²	161	158.6 Å²	158.6	86%	0.861	81%	0.805	S	S	*	*			trans	78.3	110.9	159.1	-46.2	-29	0	0	0	115.5
258	G	32.1	Very low	33.2	Very low	69 Å²	69	155.9 Å²	155.9	71%	0.711	80%	0.803	S	S	*	*			cis	125.1	115.5	24.2	0	0	0	0	0	107.8
259	L	33.8	Very low	33	Very low	180 Å²	180	160 Å²	160	94%	0.942	81%	0.814	S	S	*	*			trans	162.3	105.5	134.9	-86.5	158.8	0	0	0	109.9
260	E	29.7	Very low	32.8	Very low	156 Å²	156	161.6 Å²	161.6	73%	0.729	82%	0.822	S	S	*	*			trans	-63.7	152.8	164.8	-59.5	-176.7	133.8	0	0	111.3
261	F	30.8	Very low	32.3	Very low	199 Å²	199	160 Å²	160	87%	0.873	81%	0.814	S	S	*	*				-157.5	109.4	125.7	-111	-80.5	0	0	0	109.8
262	H	35.4	Very low	32.3	Very low	146 Å²	146	156.1 Å²	156.1	68%	0.676	81%	0.806	S	S	*	*			trans	5.8	149	140.1	-75.6	-80.5	0	0	0	118.7
263	S	29.4	Very low	31.9	Very low	90 Å²	90	156.9 Å²	156.9	63%	0.629	81%	0.805	S	S	*	*			cis	176.1	156.9	6.4	44.9	0	0	0	0	110.2
264	R	29.9	Very low	31.1	Very low	230 Å²	230	152.5 Å²	152.5	87%	0.868	79%	0.794	S	S	*	*			trans	62.4	109.3	148.9	-85.7	180	157.8	156.3	-5.8	118.9
265	S	27.4	Very low	30.9	Very low	97 Å²	97	151 Å²	151	68%	0.678	79%	0.789	S	S	*	*				80.1	112.4	76.1	86.2	0	0	0	0	113.5
266	E	31.4	Very low	30.6	Very low	196 Å²	196	149.1 Å²	149.1	92%	0.916	78%	0.779	S	S	*	*			trans	-153.9	120.7	138.7	-111.5	168.8	172.1	0	0	109.6
267	R	28.8	Very low	29.9	Very low	256 Å²	256	153.4 Å²	153.4	97%	0.966	79%	0.792	S	S	*	*			trans	-71.7	129.8	166.8	-78.3	175.4	-177.2	159.7	0.5	107.5
268	G	30.9	Very low	29.2	Very low	75 Å²	75	154.2 Å²	154.2	77%	0.773	79%	0.788	S	S	*	*			trans	-141.5	101.9	165	0	0	0	0	0	108.5
269	M	26.3	Very low	28.7	Very low	187 Å²	187	160.5 Å²	160.5	92%	0.921	80%	0.796	S	S	*	*			trans	-63.5	135.1	170.2	-66.8	176.6	136.9	0	0	109.5
270	L	32.5	Very low	28.4	Very low	171 Å²	171	158.4 Å²	158.4	90%	0.895	78%	0.784	S	S	*	*			trans	-155.5	131.5	145.7	-106.8	159	0	0	0	110.1
271	E	27.4	Very low	28.1	Very low	146 Å²	146	157 Å²	157	68%	0.682	78%	0.782	S	S	*	*			trans	-65.6	158.2	-167	-92.4	165.5	117.3	0	0	118.1
272	Q	28	Very low	27.9	Very low	154 Å²	154	156.4 Å²	156.4	72%	0.72	78%	0.779	S	S	*	*			trans	68.6	128.1	143.2	-65.5	163.9	25.4	0	0	116.5
273	Q	29.5	Very low	27.4	Very low	163 Å²	163	154.1 Å²	154.1	76%	0.762	78%	0.779	S	S	*	*			cis	-153	153.6	45.4	-69.5	-176.1	-31.1	0	0	112.4
274	P	25.9	Very low	27.4	Very low	108 Å²	108	156.3 Å²	156.3	70%	0.701	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-84.2	126.4	166.2	33.1	-25.6	0	0	0	109.3
275	N	29.2	Very low	27.2	Very low	156 Å²	156	150.7 Å²	150.7	83%	0.834	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-92.4	117.2	170.1	-91.7	-18.4	0	0	0	110
276	D	28	Very low	27.4	Very low	120 Å²	120	154 Å²	154	64%	0.642	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-59.1	138.8	-174.8	-67.8	-49.8	0	0	0	114.4	F278	D276-F278 HydrophobicContact CB-CD2 3.73Å; D276-F278 HydrophobicContact CB-CE2 3.39Å; D276-F278 HydrophobicContact CB-CZ 4.32Å
277	L	22.4	Very low	27.1	Very low	162 Å²	162	151.8 Å²	151.8	85%	0.848	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-73.5	119.3	158.7	-73.4	159.6	0	0	0	108.4
278	F	25.3	Very low	26.9	Very low	177 Å²	177	146.5 Å²	146.5	78%	0.776	77%	0.772	S	S	*	*			trans	-117.4	124.4	165.6	-80	-79.2	0	0	0	111.3	D276	D276-F278 HydrophobicContact CB-CD2 3.73Å; D276-F278 HydrophobicContact CB-CE2 3.39Å; D276-F278 HydrophobicContact CB-CZ 4.32Å
279	F	21.2	Very low	26.9	Very low	202 Å²	202	149.9 Å²	149.9	89%	0.886	77%	0.771	S	S	*	*			trans	-70.5	140.1	171.5	-74.3	-105.1	0	0	0	110.4
280	I	26.2	Very low	26.8	Very low	136 Å²	136	148.9 Å²	148.9	70%	0.697	77%	0.77	S	S	*	*			trans	-132.3	120.1	161	-54.5	178	0	0	0	108.2	F282	I280-F282 HydrophobicContact CB-CE2 4.43Å; I280-F282 HydrophobicContact CG2-CE2 4.34Å; I280-F282 HydrophobicContact CG2-CZ 4.28Å; I280-F282 WeakPolarHBondContact O-CD2 3.49Å
281	D	24.4	Very low	26.6	Very low	126 Å²	126	144.2 Å²	144.2	67%	0.674	76%	0.763	S	S	*	*			trans	-71.3	132.3	177.2	-178.9	3.3	0	0	0	110.7	S283	D281-S283 WeakPolarHBondContact OD1-CB 3.4Å; D281-S283 PolarHBondContact OD1-N 2.67Å; D281-S283 VanDerWaalsContact OD1-N 3.09Å; D281-S283 PolarHBondContact OD1-OG 2.91Å
282	F	26.2	Very low	26.5	Very low	187 Å²	187	143.1 Å²	143.1	82%	0.82	77%	0.771	S	S	*	*			trans	-121.9	57.2	175.9	-70.1	-78.8	0	0	0	110.1	I280	I280-F282 HydrophobicContact CB-CE2 4.43Å; I280-F282 HydrophobicContact CG2-CE2 4.34Å; I280-F282 HydrophobicContact CG2-CZ 4.28Å; I280-F282 WeakPolarHBondContact O-CD2 3.49Å
283	S	26.1	Very low	26.4	Very low	97 Å²	97	140.6 Å²	140.6	68%	0.678	78%	0.777	S	S	*	*			trans	-99.2	59.3	169.6	-52.7	0	0	0	0	110.9	D281	D281-S283 WeakPolarHBondContact OD1-CB 3.4Å; D281-S283 PolarHBondContact OD1-N 2.67Å; D281-S283 VanDerWaalsContact OD1-N 3.09Å; D281-S283 PolarHBondContact OD1-OG 2.91Å
284	D	27.5	Very low	26.5	Very low	136 Å²	136	137.6 Å²	137.6	73%	0.727	78%	0.78	S	S	*	*			trans	-159	112.1	159.3	-141.9	-22.6	0	0	0	113.4	H286	D284-H286 PolarHBondContact O-N 3.27Å
285	P	27.4	Very low	26.5	Very low	112 Å²	112	144.6 Å²	144.6	73%	0.727	79%	0.792	S	S	*	*			trans	-99.3	53	-179.8	38.7	-31.7	0	0	0	112
286	H	29.8	Very low	26.4	Very low	166 Å²	166	140.9 Å²	140.9	77%	0.769	79%	0.79	S	S	*	*			trans	-153.3	85.7	169.9	-80	-67	0	0	0	112.7	D284	D284-H286 PolarHBondContact O-N 3.27Å
287	N	26.4	Very low	26.4	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	80%	0.801	S	S	*	*			trans	-156.6	97.5	148.2	-122.4	-24.3	0	0	0	112.6
288	V	24.4	Very low	26.6	Very low	145 Å²	145	139.5 Å²	139.5	88%	0.879	79%	0.791	S	S	*	*			trans	-87.5	113.6	165.8	171.1	0	0	0	0	106.9
289	I	29.7	Very low	26.8	Very low	147 Å²	147	138.7 Å²	138.7	75%	0.754	80%	0.795	S	S	*	*			trans	-149.2	125.9	155.9	-29.8	170.6	0	0	0	111.2
290	D	25.3	Very low	26.9	Very low	166 Å²	166	140.4 Å²	140.4	89%	0.888	80%	0.795	S	S	*	*			trans	-45.7	151.6	171.8	-105.9	-40	0	0	0	115.2
291	G	28.2	Very low	27.1	Very low	73 Å²	73	141.8 Å²	141.8	75%	0.753	80%	0.802	S	S	*	*			trans	169.3	86.9	168.8	0	0	0	0	0	115.8
292	S	25.5	Very low	27.3	Very low	122 Å²	122	139 Å²	139	85%	0.853	80%	0.803	S	S	*	*			trans	-44.4	149.9	173.3	-56.7	0	0	0	0	116.6
293	A	26.5	Very low	27.2	Very low	102 Å²	102	138.2 Å²	138.2	84%	0.843	81%	0.808	S	S	*	*			trans	113.7	108	147.1	0	0	0	0	0	116.5
294	A	30.5	Very low	27.2	Very low	99 Å²	99	139.8 Å²	139.8	82%	0.818	81%	0.813	S	S	*	*				172.5	112.4	117.9	0	0	0	0	0	112
295	R	26.1	Very low	27.1	Very low	256 Å²	256	138.5 Å²	138.5	97%	0.966	81%	0.812	S	S	*	*			trans	-1.4	132.2	149.3	-60.1	172.3	-172.9	-178.6	2.2	117.4
296	G	28.2	Very low	27.1	Very low	77 Å²	77	139.9 Å²	139.9	79%	0.794	81%	0.811	S	S	*	*			trans	170.4	88.4	156.8	0	0	0	0	0	116.9
297	N	27.8	Very low	27.1	Very low	161 Å²	161	136.7 Å²	136.7	86%	0.861	80%	0.796	S	S	*	*			trans	83.1	94	143.4	-128.3	6.8	0	0	0	121.3
298	S	26.6	Very low	27	Very low	93 Å²	93	130.5 Å²	130.5	65%	0.65	76%	0.763	S	S	*	*				21.7	115.8	128.4	-159.9	0	0	0	0	119.3
299	N	28.9	Very low	27.3	Very low	160 Å²	160	124.8 Å²	124.8	86%	0.856	73%	0.728	S	S	*	*			trans	-148.7	112.9	137.5	-103.8	-28.4	0	0	0	111.8
300	R	24.3	Very low	27.2	Very low	237 Å²	237	120.2 Å²	120.2	89%	0.894	71%	0.708	S	S	*	*			trans	-67.8	119.2	171.2	-74.2	174.7	176.9	173.6	-0.7	109.8
301	I	29.8	Very low	27.3	Very low	165 Å²	165	121 Å²	121	85%	0.846	71%	0.707	S	S	*	*			trans	-138.9	117.6	160.2	-57.4	-178.3	0	0	0	110.4
302	G	27.7	Very low	27.2	Very low	67 Å²	67	121 Å²	121	69%	0.691	71%	0.706	S	S	*	*			trans	82.7	91.9	134.6	0	0	0	0	0	118.4	V304	G302-V304 PolarHBondContact O-N 3.05Å
303	N	24.8	Very low	27.3	Very low	171 Å²	171	124 Å²	124	91%	0.914	71%	0.709	S	S	*	*			trans	-53.4	124.7	157.9	-76.8	-39.9	0	0	0	111.7
304	V	26.9	Very low	27.3	Very low	130 Å²	130	123.9 Å²	123.9	79%	0.788	70%	0.7	S	S	*	*			trans	-136.1	116.5	158	-174.3	0	0	0	0	108.5	G302	G302-V304 PolarHBondContact O-N 3.05Å
305	P	25.5	Very low	27	Very low	110 Å²	110	126.8 Å²	126.8	71%	0.714	70%	0.701	S	S	*	*			trans	-90.8	131.9	170.3	33.5	-25.2	0	0	0	109
306	M	27.3	Very low	27	Very low	141 Å²	141	122.1 Å²	122.1	70%	0.695	69%	0.694	S	S	*	*				-171	161.5	129.8	-105.9	-163.2	164.3	0	0	112.9
307	Q	29.1	Very low	27	Very low	98 Å²	98	123 Å²	123	46%	0.458	69%	0.686	S	S	.	*			trans	-94.5	173.4	-150.5	-70.2	174.3	-87.2	0	0	114.4	C115 V117	C115-Q307 HydrophobicContact CB-CB 4.44Å; C115-Q307 PolarHBondContact O-NE2 3.22Å; C115-Q307 VanDerWaalsContact O-NE2 3.11Å; V117-Q307 VanDerWaalsContact CG2-CD 3.48Å
308	M	25.2	Very low	27	Very low	21 Å²	21	123.2 Å²	123.2	10%	0.103	68%	0.682	C	S	.	*			trans	-120	158.4	-173.3	-72.4	82.4	79.9	0	0	112.5	C60 S61 K62 C115	C60-M308 HydrophobicContact CB-CE 3.66Å; C60-M308 WeakPolarHBondContact O-CE 3.49Å; C60-M308 WeakPolarHBondContact SG-CE 3.11Å; S61-M308 WeakPolarHBondContact O-CB 3.16Å; S61-M308 WeakPolarHBondContact O-CG 3.35Å; K62-M308 VanDerWaalsContact CA-SD 3.53Å; K62-M308 HydrophobicContact CB-CE 3.14Å; K62-M308 HydrophobicContact CB-CG 4.07Å; K62-M308 HydrophobicContact CB-SD 3.62Å; K62-M308 HydrophobicContact CD-CE 3.53Å; K62-M308 HydrophobicContact CD-SD 3.81Å; K62-M308 VanDerWaalsContact CE-SD 3.56Å; K62-M308 HydrophobicContact CG-CE 3.35Å; K62-M308 HydrophobicContact CG-CG 4.23Å; K62-M308 HydrophobicContact CG-SD 3.31Å; K62-M308 WeakPolarHBondContact CG-SD 3.38Å; C115-M308 CarbonylContact C-O 3.59Å
309	V	29.9	Very low	27.2	Very low	25 Å²	25	126.3 Å²	126.3	15%	0.152	69%	0.686	C	S	.	*			trans	-158.8	150.9	164.4	139.9	0	0	0	0	106.9	K53 Y113 M114 T116	K53-V309 PolarHBondContact NZ-O 3.45Å; Y113-V309 WeakPolarHBondContact O-CG1 3.26Å; Y113-V309 WeakPolarHBondContact O-CG2 3.29Å; M114-V309 VanDerWaalsContact O-CB 3.25Å; M114-V309 WeakPolarHBondContact O-CB 3.39Å; M114-V309 VanDerWaalsContact O-CG2 3.25Å; M114-V309 WeakPolarHBondContact O-CG2 3.18Å; T116-V309 HydrophobicContact CG2-CG2 3.51Å
310	C	27.2	Very low	27.1	Very low	50 Å²	50	125 Å²	125	34%	0.338	68%	0.678	S	S	.	*			cis	-150.2	-179.3	-8.4	-108	0	0	0	0	102.8	Y113	Y113-C310 PolarHBondContact O-SG 2.96Å; Y113-C310 VanDerWaalsContact O-SG 3.38Å
311	E	28.3	Very low	27.3	Very low	183 Å²	183	119.1 Å²	119.1	86%	0.855	67%	0.669	S	S	*	*				178.6	147.5	73.8	-84.3	173	-170	0	0	109.3
312	G	25.9	Very low	27.1	Very low	72 Å²	72	118.5 Å²	118.5	74%	0.742	67%	0.667	S	S	*	*			trans	-166.5	97.1	166.2	0	0	0	0	0	108.1
313	M	26.2	Very low	27	Very low	185 Å²	185	123.9 Å²	123.9	91%	0.911	67%	0.674	S	S	*	*			trans	140.1	148.6	137	-74.3	-160.2	81.8	0	0	115
314	P	26.9	Very low	27.3	Very low	100 Å²	100	124.8 Å²	124.8	65%	0.649	67%	0.673	S	S	*	*			trans	-105.8	166	-139.5	39.4	-32.8	0	0	0	115.6
315	L	24.8	Very low	27.3	Very low	160 Å²	160	123.5 Å²	123.5	84%	0.838	67%	0.666	S	S	*	*			trans	23.4	127.7	147.9	-51.3	173.7	0	0	0	117.9
316	L	26.6	Very low	27.2	Very low	158 Å²	158	124.5 Å²	124.5	83%	0.827	66%	0.663	S	S	*	*				-175.2	172.3	80.1	-100.6	180	0	0	0	110.8
317	P	27.9	Very low	27.1	Very low	96 Å²	96	128 Å²	128	62%	0.623	67%	0.67	S	S	*	*				-123.2	-166.6	-129.2	34.1	-11.1	0	0	0	114.2
318	E	27.4	Very low	26.8	Very low	165 Å²	165	130.6 Å²	130.6	77%	0.771	69%	0.686	S	S	*	*			trans	85.3	115.5	166.4	-56.2	178	174.2	0	0	115.8
319	Q	31.2	Very low	26.8	Very low	158 Å²	158	137.8 Å²	137.8	74%	0.738	72%	0.719	S	S	*	*				178.4	111.6	103.8	-75	-106.6	-65.4	0	0	109.4
320	L	26	Very low	26.7	Very low	133 Å²	133	142.6 Å²	142.6	70%	0.696	75%	0.749	S	S	*	*			trans	69.3	114	133.8	-56.7	167	0	0	0	119.6
321	V	28.5	Very low	26.6	Very low	114 Å²	114	147.6 Å²	147.6	69%	0.691	77%	0.772	S	S	*	*				85.6	114.7	107.1	173.4	0	0	0	0	110.1
322	D	26.8	Very low	26.7	Very low	152 Å²	152	144.6 Å²	144.6	81%	0.813	77%	0.771	S	S	*	*			cis	-153.1	159.2	45.7	-98.3	-43.3	0	0	0	113.5
323	Q	25.1	Very low	26.8	Very low	180 Å²	180	145.5 Å²	145.5	84%	0.841	77%	0.772	S	S	*	*			trans	-81.1	145.2	175.8	-64.2	167.2	-41.3	0	0	111.7
324	E	31.3	Very low	27	Very low	190 Å²	190	144.7 Å²	144.7	89%	0.888	77%	0.771	S	S	*	*			trans	-166.4	95.3	138.3	-108.3	174	-169.9	0	0	111.6
325	T	26	Very low	27	Very low	103 Å²	103	147.6 Å²	147.6	63%	0.632	78%	0.78	S	S	*	*				30.9	111.2	129.6	-33.1	0	0	0	0	121.9
326	I	23.5	Very low	27.2	Very low	130 Å²	130	146.9 Å²	146.9	67%	0.667	78%	0.781	S	S	*	*				34	133.1	121.6	-47.1	166.9	0	0	0	118
327	Y	24.6	Very low	27.2	Very low	215 Å²	215	148 Å²	148	84%	0.843	78%	0.783	S	S	*	*				-165.5	156.5	94.7	-78.1	-77.4	0	0	0	114.1
328	I	22.9	Very low	27.3	Very low	153 Å²	153	147.8 Å²	147.8	79%	0.785	79%	0.789	S	S	*	*			trans	-97.4	167.3	-176.2	-54.2	168.2	0	0	0	109.8
329	E	25	Very low	27.5	Very low	171 Å²	171	147.6 Å²	147.6	80%	0.799	79%	0.793	S	S	*	*			trans	102.7	136.9	159.4	-59.8	-175.4	-177.7	0	0	114.8
330	T	29.2	Very low	27.4	Very low	127 Å²	127	146.6 Å²	146.6	78%	0.779	80%	0.797	S	S	*	*			cis	-160.6	157.8	1.8	24	0	0	0	0	108
331	D	24.3	Very low	27.8	Very low	155 Å²	155	148.1 Å²	148.1	83%	0.829	80%	0.804	S	S	*	*			trans	-65.6	145.7	175.1	-58.2	-43.5	0	0	0	112.4
332	S	30.2	Very low	28.1	Very low	119 Å²	119	145.4 Å²	145.4	83%	0.832	80%	0.8	S	S	*	*			trans	160.1	126.3	131	-67.8	0	0	0	0	110.8
333	A	27.7	Very low	28.6	Very low	92 Å²	92	144.3 Å²	144.3	76%	0.76	80%	0.804	S	S	*	*			trans	-66.9	130.2	163.1	0	0	0	0	0	109.5
334	D	32.1	Very low	29	Very low	167 Å²	167	141.8 Å²	141.8	89%	0.893	80%	0.8	S	S	*	*			trans	-166.9	137.3	133.6	-90.6	-30.9	0	0	0	110.4
335	I	25.3	Very low	29.4	Very low	162 Å²	162	140.1 Å²	140.1	83%	0.831	80%	0.798	S	S	*	*			trans	-75.3	127.2	-175.6	-64.7	158	0	0	0	109.5
336	V	29.9	Very low	30.3	Very low	144 Å²	144	146.7 Å²	146.7	87%	0.873	83%	0.826	S	S	*	*			trans	-152.6	129.1	134.9	-160.4	0	0	0	0	109.7
337	Q	25.4	Very low	30.7	Very low	182 Å²	182	147.5 Å²	147.5	85%	0.85	83%	0.834	S	S	*	*			trans	-82.5	126.2	176.7	-174	-178.2	-18.7	0	0	109.6
338	A	31	Very low	31	Very low	91 Å²	91	143.9 Å²	143.9	75%	0.752	83%	0.834	S	S	*	*			trans	-162	109.1	157.2	0	0	0	0	0	111.5
339	D	32.2	Very low	31.5	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	84%	0.837	S	S	*	*			trans	48.4	124.5	147.3	-63	-24.2	0	0	0	123.8
340	V	29.1	Very low	31.8	Very low	136 Å²	136	141.8 Å²	141.8	82%	0.824	84%	0.839	S	S	*	*			trans	-78.7	122.3	168.6	174.3	0	0	0	0	110
341	I	34.8	Very low	32	Very low	165 Å²	165	142.8 Å²	142.8	85%	0.846	84%	0.843	S	S	*	*			trans	-153.4	107	142.5	-45.5	178.9	0	0	0	104.2
342	G	34.8	Very low	32.5	Very low	57 Å²	57	141.9 Å²	141.9	59%	0.588	84%	0.844	S	S	*	*				86	105.2	65.7	0	0	0	0	0	108.8
343	S	35.9	Very low	32.7	Very low	130 Å²	130	143.6 Å²	143.6	91%	0.909	84%	0.844	S	S	*	*			trans	164.5	118.4	139	-68	0	0	0	0	110.2
344	V	33.4	Very low	33.1	Very low	126 Å²	126	147.5 Å²	147.5	76%	0.764	85%	0.851	S	S	*	*			trans	-72.1	149.8	165.8	172	0	0	0	0	108.5
345	D	40.5	Very low	33.1	Very low	156 Å²	156	145.9 Å²	145.9	83%	0.834	85%	0.847	S	S	*	*			trans	-167.1	142.5	136.9	-91.9	-29.4	0	0	0	112.3
346	I	45.6	Very low	33.9	Very low	240 Å²	240	144.5 Å²	144.5	100%	1.231	85%	0.849	S	S	*	*			trans	89.9	0	179.8	-41.9	-179.4	0	0	0	116.4

Retrieved 346 of 346 residues in 635.7 ms (Link to these results)

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