A0A077Z3N2_TRITR Loading...

Mitochondrial import inner membrane translocase subunit TIM50

Essential component of the TIM23 complex, a complex that mediates the translocation of transit peptide-containing proteins across the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession A0A077Z3N2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 267 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	38.7	Very low	63.1	Low	224 Å²	224	148.5 Å²	148.5	100%	1.103	74%	0.74	S	S	*	*				0	108.1	0	-79	171.5	169.3	0	0	108.4	F3	M1-F3 PolarHBondContact O-N 2.96Å
2	N	43.3	Very low	64.3	Low	166 Å²	166	141.7 Å²	141.7	89%	0.888	70%	0.704	S	S	*	*			trans	-77.5	100.8	176.9	-89.5	-28.1	0	0	0	109.2	R4	N2-R4 VanDerWaalsContact C-N 3.33Å; N2-R4 PolarHBondContact O-N 3.13Å
3	F	44.5	Very low	65.2	Low	188 Å²	188	143.8 Å²	143.8	83%	0.825	70%	0.699	S	S	*	*			trans	-68.8	89.7	169.3	-78.7	-88.1	0	0	0	109.2	M1 T5	M1-F3 PolarHBondContact O-N 2.96Å; F3-T5 PolarHBondContact O-N 2.73Å; F3-T5 VanDerWaalsContact O-N 3.16Å
4	R	51.7	Low	66.8	Low	233 Å²	233	140.6 Å²	140.6	88%	0.879	69%	0.686	S	S	*	*			trans	-72	100.4	159.6	-75.5	-174.2	174.4	-171.7	-0.6	107.1	N2 V6	N2-R4 VanDerWaalsContact C-N 3.33Å; N2-R4 PolarHBondContact O-N 3.13Å; R4-V6 PolarHBondContact O-N 3.35Å
5	T	61.6	Low	68	Low	129 Å²	129	137 Å²	137	79%	0.791	67%	0.67	S	S	*	*			trans	-60.4	115.5	173.6	43.8	0	0	0	0	109.4	F3 M7	F3-T5 PolarHBondContact O-N 2.73Å; F3-T5 VanDerWaalsContact O-N 3.16Å; T5-M7 PolarHBondContact O-N 2.9Å
6	V	69.9	Low	69	Low	130 Å²	130	138.7 Å²	138.7	79%	0.788	67%	0.667	S	S	*	*			trans	-68.4	115.5	174.7	-179.9	0	0	0	0	107.7	R4	R4-V6 PolarHBondContact O-N 3.35Å
7	M	69.8	Low	69.9	Low	102 Å²	102	133.4 Å²	133.4	50%	0.502	65%	0.648	S	S	.	*			trans	-60.3	138.9	177.6	-83.1	-175.5	-80.9	0	0	110.9	T5 Q12 L15	T5-M7 PolarHBondContact O-N 2.9Å; M7-Q12 HydrophobicContact CB-CG 3.9Å; M7-Q12 PolarHBondContact O-NE2 2.92Å; M7-L15 HydrophobicContact CE-CD1 4.46Å; M7-L15 HydrophobicContact SD-CD1 3.74Å
8	P	77.5	Confident	70.6	Confident	82 Å²	82	137.1 Å²	137.1	53%	0.532	65%	0.654	S	S	.	*			trans	-54.6	144.4	175.9	-25.3	32.5	0	0	0	113.2	V10 K11 Q12	P8-V10 VanDerWaalsContact C-N 3.33Å; P8-V10 PolarHBondContact O-N 3.1Å; P8-K11 HydrophobicContact CG-CD 4.47Å; P8-K11 WeakPolarHBondContact O-CB 3.37Å; P8-K11 PolarHBondContact O-N 2.9Å; P8-Q12 PolarHBondContact O-N 3.37Å
9	F	78.9	Confident	71.1	Confident	150 Å²	150	137.7 Å²	137.7	66%	0.658	65%	0.654	S	S	*	*	H	α-helix	trans	-52.1	-44.5	-175	179	-102.5	0	0	0	113.9	K11 Q12 R13	F9-K11 PolarHBondContact O-N 2.87Å; F9-Q12 PolarHBondContact O-N 2.73Å; F9-R13 PolarHBondContact O-N 3.43Å
10	V	80.6	Confident	71.5	Confident	99 Å²	99	136.8 Å²	136.8	60%	0.6	65%	0.649	S	S	*	*	H	α-helix	trans	-64.1	-40.2	179.1	-178.6	0	0	0	0	111.5	P8 R13 L14	P8-V10 VanDerWaalsContact C-N 3.33Å; P8-V10 PolarHBondContact O-N 3.1Å; V10-R13 PolarHBondContact O-N 3Å; V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 HydrophobicContact CG1-CG 4.45Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 3.38Å
11	K	77.3	Confident	71.8	Confident	131 Å²	131	134.4 Å²	134.4	57%	0.57	65%	0.646	S	S	*	*	H	α-helix	trans	-65.5	-40.3	175.3	-75.8	-170.9	177.5	-177.7	0	111.4	P8 F9 L14 L15	P8-K11 HydrophobicContact CG-CD 4.47Å; P8-K11 WeakPolarHBondContact O-CB 3.37Å; P8-K11 PolarHBondContact O-N 2.9Å; F9-K11 PolarHBondContact O-N 2.87Å; K11-L14 PolarHBondContact O-N 3.48Å; K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 VanDerWaalsContact O-CG 3.29Å; K11-L15 WeakPolarHBondContact O-CG 3.35Å; K11-L15 PolarHBondContact O-N 3.11Å
12	Q	77.6	Confident	73.6	Confident	66 Å²	66	132 Å²	132	31%	0.308	63%	0.625	S	S	.	*	H	α-helix	trans	-62.3	-43.8	175.4	-67.3	-174.5	13.3	0	0	111.8	M7 P8 F9 L15 R16	M7-Q12 HydrophobicContact CB-CG 3.9Å; M7-Q12 PolarHBondContact O-NE2 2.92Å; P8-Q12 PolarHBondContact O-N 3.37Å; F9-Q12 PolarHBondContact O-N 2.73Å; Q12-L15 PolarHBondContact O-N 2.98Å; Q12-R16 WeakPolarHBondContact O-CB 3.47Å; Q12-R16 WeakPolarHBondContact O-CG 3.35Å; Q12-R16 PolarHBondContact O-N 3.44Å
13	R	76.6	Confident	75	Confident	169 Å²	169	129.2 Å²	129.2	64%	0.638	61%	0.609	S	S	*	*	H	α-helix	trans	-65	-45.3	178.8	-165.3	172.6	-178.3	178	-0.1	111.5	F9 V10 R16 S17	F9-R13 PolarHBondContact O-N 3.43Å; V10-R13 PolarHBondContact O-N 3Å; R13-R16 PolarHBondContact O-N 3.44Å; R13-S17 PolarHBondContact O-N 2.96Å; R13-S17 PolarHBondContact O-OG 3.07Å
14	L	86.7	Confident	76.3	Confident	99 Å²	99	126.9 Å²	126.9	52%	0.518	60%	0.599	S	S	.	*	H	α-helix	trans	-62.3	-44.5	175.6	-72.4	172	0	0	0	112.2	V10 K11 R16 S17 W18	V10-L14 HydrophobicContact CG1-CD1 4.07Å; V10-L14 HydrophobicContact CG1-CG 4.45Å; V10-L14 WeakPolarHBondContact O-CB 3.46Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 3.38Å; K11-L14 PolarHBondContact O-N 3.48Å; L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 3.4Å; L14-S17 PolarHBondContact O-N 3.05Å; L14-W18 WeakPolarHBondContact O-CB 3.17Å; L14-W18 VanDerWaalsContact O-CD1 3.24Å; L14-W18 PolarHBondContact O-N 3.21Å
15	L	85.7	Confident	77.2	Confident	87 Å²	87	120.3 Å²	120.3	46%	0.455	58%	0.578	S	S	.	*	H	α-helix	trans	-65.6	-35.2	177.4	-74.4	171.4	0	0	0	112.4	M7 K11 Q12 K19	M7-L15 HydrophobicContact CE-CD1 4.46Å; M7-L15 HydrophobicContact SD-CD1 3.74Å; K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 VanDerWaalsContact O-CG 3.29Å; K11-L15 WeakPolarHBondContact O-CG 3.35Å; K11-L15 PolarHBondContact O-N 3.11Å; Q12-L15 PolarHBondContact O-N 2.98Å; L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 VanDerWaalsContact O-CG 3.27Å; L15-K19 WeakPolarHBondContact O-CG 3.4Å; L15-K19 PolarHBondContact O-N 2.76Å
16	R	84	Confident	77.5	Confident	164 Å²	164	118.1 Å²	118.1	62%	0.619	56%	0.559	S	S	*	*	H	α-helix	trans	-65.4	-49.7	172.7	-78.4	-178.4	-176.2	173.9	1.8	110.9	Q12 R13 L14 W18 K19 E20	Q12-R16 WeakPolarHBondContact O-CB 3.47Å; Q12-R16 WeakPolarHBondContact O-CG 3.35Å; Q12-R16 PolarHBondContact O-N 3.44Å; R13-R16 PolarHBondContact O-N 3.44Å; L14-R16 VanDerWaalsContact C-N 3.33Å; L14-R16 PolarHBondContact O-N 3.4Å; R16-W18 VanDerWaalsContact C-N 3.32Å; R16-W18 PolarHBondContact O-N 2.75Å; R16-K19 CarbonylContact O-C 3.59Å; R16-K19 WeakPolarHBondContact O-CB 3.45Å; R16-K19 PolarHBondContact O-N 3.27Å; R16-K19 VanDerWaalsContact O-N 3.13Å; R16-E20 WeakPolarHBondContact O-CB 3.49Å; R16-E20 VanDerWaalsContact O-CG 3.32Å; R16-E20 WeakPolarHBondContact O-CG 3.47Å; R16-E20 PolarHBondContact O-N 3.46Å
17	S	84.4	Confident	77.4	Confident	49 Å²	49	121.2 Å²	121.2	34%	0.343	56%	0.558	S	S	.	*	H	α-helix	trans	-61.4	-39.7	176.9	-60.6	0	0	0	0	112.2	R13 L14 E20 C21	R13-S17 PolarHBondContact O-N 2.96Å; R13-S17 PolarHBondContact O-OG 3.07Å; L14-S17 PolarHBondContact O-N 3.05Å; S17-E20 PolarHBondContact O-N 3.45Å; S17-C21 WeakPolarHBondContact O-CB 3.23Å; S17-C21 PolarHBondContact O-N 3.06Å; S17-C21 PolarHBondContact O-SG 3.03Å
18	W	81.9	Confident	77.3	Confident	200 Å²	200	120.6 Å²	120.6	76%	0.758	56%	0.555	S	S	*	*	H	α-helix	trans	-64.8	-40.7	173.4	-90.8	72.3	0	0	0	112.7	L14 R16 R22	L14-W18 WeakPolarHBondContact O-CB 3.17Å; L14-W18 VanDerWaalsContact O-CD1 3.24Å; L14-W18 PolarHBondContact O-N 3.21Å; R16-W18 VanDerWaalsContact C-N 3.32Å; R16-W18 PolarHBondContact O-N 2.75Å; W18-R22 VanDerWaalsContact O-CB 3.31Å; W18-R22 WeakPolarHBondContact O-CB 3.39Å; W18-R22 PolarHBondContact O-N 3.41Å
19	K	80.1	Confident	76.8	Confident	148 Å²	148	120.7 Å²	120.7	64%	0.643	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-42.9	173.7	-79.8	-179.1	178.2	-170	0	111.5	L15 R16 R22 L23	L15-K19 WeakPolarHBondContact O-CB 3.37Å; L15-K19 VanDerWaalsContact O-CG 3.27Å; L15-K19 WeakPolarHBondContact O-CG 3.4Å; L15-K19 PolarHBondContact O-N 2.76Å; R16-K19 CarbonylContact O-C 3.59Å; R16-K19 WeakPolarHBondContact O-CB 3.45Å; R16-K19 PolarHBondContact O-N 3.27Å; R16-K19 VanDerWaalsContact O-N 3.13Å; K19-R22 PolarHBondContact O-N 2.88Å; K19-L23 VanDerWaalsContact O-CB 3.32Å; K19-L23 WeakPolarHBondContact O-CB 2.98Å; K19-L23 WeakPolarHBondContact O-CG 3.43Å; K19-L23 PolarHBondContact O-N 2.94Å
20	E	79.4	Confident	76	Confident	119 Å²	119	119.3 Å²	119.3	56%	0.556	54%	0.543	S	S	*	.	H	α-helix	trans	-63.8	-46	177	-74.8	167.7	-177.1	0	0	111.1	R16 S17 R22 L23 F24	R16-E20 WeakPolarHBondContact O-CB 3.49Å; R16-E20 VanDerWaalsContact O-CG 3.32Å; R16-E20 WeakPolarHBondContact O-CG 3.47Å; R16-E20 PolarHBondContact O-N 3.46Å; S17-E20 PolarHBondContact O-N 3.45Å; E20-R22 VanDerWaalsContact C-N 3.34Å; E20-R22 PolarHBondContact O-N 3.35Å; E20-L23 PolarHBondContact O-N 3.02Å; E20-F24 WeakPolarHBondContact O-CB 3.47Å; E20-F24 PolarHBondContact O-N 3.4Å
21	C	77.7	Confident	75.3	Confident	87 Å²	87	115.7 Å²	115.7	59%	0.588	52%	0.522	S	S	*	.	H	α-helix	trans	-60.7	-42.4	174.3	-69.9	0	0	0	0	111.7	S17 F24 E25	S17-C21 WeakPolarHBondContact O-CB 3.23Å; S17-C21 PolarHBondContact O-N 3.06Å; S17-C21 PolarHBondContact O-SG 3.03Å; C21-F24 PolarHBondContact O-N 3.38Å; C21-E25 VanDerWaalsContact O-CB 3.3Å; C21-E25 WeakPolarHBondContact O-CB 3.44Å; C21-E25 PolarHBondContact O-N 2.91Å
22	R	76.1	Confident	74.5	Confident	174 Å²	174	113.2 Å²	113.2	66%	0.657	52%	0.521	S	S	*	.	H	α-helix	trans	-67	-39.3	177	-164.5	-177.7	-159.1	-167.8	4.8	112.2	W18 K19 E20 E25 Q26	W18-R22 VanDerWaalsContact O-CB 3.31Å; W18-R22 WeakPolarHBondContact O-CB 3.39Å; W18-R22 PolarHBondContact O-N 3.41Å; K19-R22 PolarHBondContact O-N 2.88Å; E20-R22 VanDerWaalsContact C-N 3.34Å; E20-R22 PolarHBondContact O-N 3.35Å; R22-E25 PolarHBondContact O-N 2.88Å; R22-Q26 WeakPolarHBondContact O-CB 3.28Å; R22-Q26 VanDerWaalsContact O-CG 3.31Å; R22-Q26 WeakPolarHBondContact O-CG 3.45Å; R22-Q26 PolarHBondContact O-N 3.28Å
23	L	73.5	Confident	74.2	Confident	108 Å²	108	117.5 Å²	117.5	57%	0.565	53%	0.534	S	S	*	.	H	α-helix	trans	-66	-41	175.4	-78	167.5	0	0	0	111.3	K19 E20 Q26 Y27	K19-L23 VanDerWaalsContact O-CB 3.32Å; K19-L23 WeakPolarHBondContact O-CB 2.98Å; K19-L23 WeakPolarHBondContact O-CG 3.43Å; K19-L23 PolarHBondContact O-N 2.94Å; E20-L23 PolarHBondContact O-N 3.02Å; L23-Q26 PolarHBondContact O-N 2.72Å; L23-Y27 VanDerWaalsContact O-CB 3.27Å; L23-Y27 WeakPolarHBondContact O-CB 3.35Å; L23-Y27 PolarHBondContact O-N 2.86Å
24	F	70.8	Confident	74.2	Confident	138 Å²	138	118.1 Å²	118.1	61%	0.605	55%	0.545	S	S	*	.	H	α-helix	trans	-65.9	-41.2	176.1	-167.6	-108.6	0	0	0	111.1	E20 C21 Y27 I28	E20-F24 WeakPolarHBondContact O-CB 3.47Å; E20-F24 PolarHBondContact O-N 3.4Å; C21-F24 PolarHBondContact O-N 3.38Å; F24-Y27 PolarHBondContact O-N 3.28Å; F24-I28 HydrophobicContact CD1-CD1 3.48Å; F24-I28 VanDerWaalsContact CD1-CD1 3.48Å; F24-I28 HydrophobicContact CE1-CD1 3.21Å; F24-I28 HydrophobicContact CE1-CG1 4.39Å; F24-I28 HydrophobicContact CE2-CD1 4.37Å; F24-I28 HydrophobicContact CG-CD1 4.19Å; F24-I28 HydrophobicContact CZ-CD1 3.7Å; F24-I28 WeakPolarHBondContact O-CB 3.34Å; F24-I28 VanDerWaalsContact O-CG1 3.25Å; F24-I28 WeakPolarHBondContact O-CG1 3.3Å; F24-I28 PolarHBondContact O-N 3.07Å
25	E	71.3	Confident	74.1	Confident	95 Å²	95	118.8 Å²	118.8	44%	0.444	54%	0.543	S	S	.	.	H	α-helix	trans	-62.5	-42.4	172.9	-171.8	-178.2	-177.6	0	0	111.8	C21 R22 I28 K29	C21-E25 VanDerWaalsContact O-CB 3.3Å; C21-E25 WeakPolarHBondContact O-CB 3.44Å; C21-E25 PolarHBondContact O-N 2.91Å; R22-E25 PolarHBondContact O-N 2.88Å; E25-I28 PolarHBondContact O-N 3.04Å; E25-K29 HydrophobicContact CG-CD 3.84Å; E25-K29 HydrophobicContact CG-CG 4.45Å; E25-K29 WeakPolarHBondContact O-CB 3.5Å; E25-K29 WeakPolarHBondContact O-CG 3.21Å; E25-K29 PolarHBondContact O-N 2.76Å; E25-K29 WeakPolarHBondContact OE1-CE 3.37Å; E25-K29 IonicContact OE1-NZ 2.75Å; E25-K29 PolarHBondContact OE1-NZ 3.43Å
26	Q	67	Low	74.2	Confident	83 Å²	83	115.4 Å²	115.4	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-64.4	-45.3	174.3	-76.7	-179.8	-57.2	0	0	112	R22 L23 I28 K29 E30	R22-Q26 WeakPolarHBondContact O-CB 3.28Å; R22-Q26 VanDerWaalsContact O-CG 3.31Å; R22-Q26 WeakPolarHBondContact O-CG 3.45Å; R22-Q26 PolarHBondContact O-N 3.28Å; L23-Q26 PolarHBondContact O-N 2.72Å; Q26-I28 VanDerWaalsContact C-N 3.25Å; Q26-I28 PolarHBondContact O-N 3.17Å; Q26-K29 PolarHBondContact O-N 3.39Å; Q26-K29 VanDerWaalsContact O-N 3.13Å; Q26-E30 WeakPolarHBondContact O-CB 3.11Å; Q26-E30 PolarHBondContact O-N 3.42Å
27	Y	67.9	Low	74.4	Confident	196 Å²	196	107.9 Å²	107.9	77%	0.769	50%	0.497	S	S	*	.	H	α-helix	trans	-61.9	-32.6	178.2	-175.2	-97.1	0	0	0	112.7	L23 F24	L23-Y27 VanDerWaalsContact O-CB 3.27Å; L23-Y27 WeakPolarHBondContact O-CB 3.35Å; L23-Y27 PolarHBondContact O-N 2.86Å; F24-Y27 PolarHBondContact O-N 3.28Å
28	I	68.6	Low	74.5	Confident	88 Å²	88	108.8 Å²	108.8	45%	0.451	50%	0.502	S	S	.	.	H	α-helix	trans	-79.4	-33.6	175.1	-70.2	169.4	0	0	0	111.9	F24 E25 Q26 Y92	F24-I28 HydrophobicContact CD1-CD1 3.48Å; F24-I28 VanDerWaalsContact CD1-CD1 3.48Å; F24-I28 HydrophobicContact CE1-CD1 3.21Å; F24-I28 HydrophobicContact CE1-CG1 4.39Å; F24-I28 HydrophobicContact CE2-CD1 4.37Å; F24-I28 HydrophobicContact CG-CD1 4.19Å; F24-I28 HydrophobicContact CZ-CD1 3.7Å; F24-I28 WeakPolarHBondContact O-CB 3.34Å; F24-I28 VanDerWaalsContact O-CG1 3.25Å; F24-I28 WeakPolarHBondContact O-CG1 3.3Å; F24-I28 PolarHBondContact O-N 3.07Å; E25-I28 PolarHBondContact O-N 3.04Å; Q26-I28 VanDerWaalsContact C-N 3.25Å; Q26-I28 PolarHBondContact O-N 3.17Å; I28-Y92 HydrophobicContact CG2-CD1 4.48Å
29	K	66.7	Low	74.7	Confident	85 Å²	85	104.5 Å²	104.5	37%	0.37	49%	0.491	S	S	.	.	H	α-helix	trans	-85.7	-35.9	-172.3	-76.6	-178.8	177.2	-177.7	0	114.5	E25 Q26 Y92	E25-K29 HydrophobicContact CG-CD 3.84Å; E25-K29 HydrophobicContact CG-CG 4.45Å; E25-K29 WeakPolarHBondContact O-CB 3.5Å; E25-K29 WeakPolarHBondContact O-CG 3.21Å; E25-K29 PolarHBondContact O-N 2.76Å; E25-K29 WeakPolarHBondContact OE1-CE 3.37Å; E25-K29 IonicContact OE1-NZ 2.75Å; E25-K29 PolarHBondContact OE1-NZ 3.43Å; Q26-K29 PolarHBondContact O-N 3.39Å; Q26-K29 VanDerWaalsContact O-N 3.13Å; K29-Y92 HydrophobicContact CG-CD1 4.48Å; K29-Y92 PolarHBondContact O-N 3.46Å
30	E	62.8	Low	74.8	Confident	120 Å²	120	100.2 Å²	100.2	56%	0.561	48%	0.478	S	S	*	.	S	Bend	trans	-84	135	-174.7	-68.3	173.4	-165	0	0	110	Q26	Q26-E30 WeakPolarHBondContact O-CB 3.11Å; Q26-E30 PolarHBondContact O-N 3.42Å
31	P	64.4	Low	74.9	Confident	23 Å²	23	99.2 Å²	99.2	15%	0.149	48%	0.476	C	S	.	.			trans	-62.9	149.3	175.2	29.6	-29.1	0	0	0	107.8	R33 K91	P31-R33 PolarHBondContact O-N 3.29Å; P31-K91 HydrophobicContact CG-CG 4.07Å
32	S	61.7	Low	75.1	Confident	79 Å²	79	103.7 Å²	103.7	55%	0.552	49%	0.485	S	S	*	.	S	Bend	trans	-59.5	-15.2	-173.8	64.7	0	0	0	0	114.1	D88	S32-D88 PolarHBondContact N-O 3.34Å
33	R	70.6	Confident	75.2	Confident	156 Å²	156	104.3 Å²	104.3	59%	0.589	50%	0.496	S	S	*	.			trans	-141.1	141.8	-176	-58.9	177.5	-175.2	146.5	4.8	111.6	P31 K35	P31-R33 PolarHBondContact O-N 3.29Å; R33-K35 WeakPolarHBondContact CB-O 3.49Å
34	E	77.7	Confident	75.7	Confident	183 Å²	183	104.7 Å²	104.7	86%	0.855	51%	0.505	S	S	*	.	S	Bend	trans	-66.1	-38.5	173	-66.6	-177.3	173.9	0	0	112.3
35	K	83.9	Confident	76.1	Confident	112 Å²	112	105.5 Å²	105.5	49%	0.487	51%	0.505	S	S	.	.			trans	-119.4	121.7	175.4	-66.7	-177.2	172.7	-171.9	0	109.2	R33 E39 C103 N105	R33-K35 WeakPolarHBondContact CB-O 3.49Å; K35-E39 IonicContact NZ-OE1 2.68Å; K35-E39 PolarHBondContact NZ-OE1 2.93Å; K35-C103 CarbonylContact C-O 3.57Å; K35-C103 WeakPolarHBondContact CA-O 3.44Å; K35-N105 HydrophobicContact CB-CB 4.41Å; K35-N105 HydrophobicContact CD-CB 4.26Å; K35-N105 WeakPolarHBondContact CE-OD1 3.18Å; K35-N105 HydrophobicContact CG-CB 4.31Å; K35-N105 PolarHBondContact NZ-OD1 3.06Å
36	L	87.5	Confident	76.2	Confident	16 Å²	16	109.9 Å²	109.9	8%	0.084	52%	0.519	C	S	.	.	S	Bend	trans	-79	-32.5	-178.2	-62.1	176.3	0	0	0	112	L85 A89 C103 L104	L36-L85 HydrophobicContact CB-CD1 4.4Å; L36-L85 HydrophobicContact CB-CD2 4.29Å; L36-L85 HydrophobicContact CD1-CD1 4.2Å; L36-A89 HydrophobicContact CD1-CB 4.17Å; L36-A89 HydrophobicContact CD2-CB 3.69Å; L36-C103 WeakPolarHBondContact CB-O 3.43Å; L36-C103 HydrophobicContact CD1-CB 3.79Å; L36-C103 HydrophobicContact CG-CB 3.81Å; L36-C103 PolarHBondContact N-O 2.96Å; L36-L104 HydrophobicContact CB-CD2 4.33Å; L36-L104 HydrophobicContact CD1-CD2 4.04Å
37	L	87.6	Confident	76.6	Confident	6 Å²	6	109 Å²	109	3%	0.031	51%	0.514	C	S	.	.	S	Bend	trans	-118.5	150.6	-179.5	-48	178.2	0	0	0	111.3	Y83 L104 R106 I265	L37-Y83 HydrophobicContact CD2-CD1 4.05Å; L37-Y83 HydrophobicContact CD2-CD2 3.83Å; L37-Y83 HydrophobicContact CD2-CE2 4.42Å; L37-Y83 HydrophobicContact CD2-CG 3.62Å; L37-L104 VanDerWaalsContact CB-O 3.28Å; L37-L104 WeakPolarHBondContact CB-O 3.48Å; L37-L104 HydrophobicContact CD1-CB 4.09Å; L37-L104 HydrophobicContact CD1-CD2 4.13Å; L37-L104 VanDerWaalsContact CD1-O 3.25Å; L37-L104 WeakPolarHBondContact CD1-O 3.05Å; L37-L104 HydrophobicContact CG-CB 4.48Å; L37-L104 HydrophobicContact CG-CD2 4.19Å; L37-L104 WeakPolarHBondContact CG-O 3.36Å; L37-R106 HydrophobicContact CD1-CG 4.11Å; L37-I265 HydrophobicContact CD1-CD1 3.28Å; L37-I265 HydrophobicContact CD2-CD1 4.01Å; L37-I265 HydrophobicContact CG-CD1 4.21Å
38	P	87.3	Confident	77.1	Confident	69 Å²	69	101.1 Å²	101.1	45%	0.448	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-63.7	163.9	169.9	29.8	-36.2	0	0	0	111.3	Y83 R106	P38-Y83 HydrophobicContact CG-CE1 3.94Å; P38-Y83 WeakPolarHBondContact CG-OH 3.19Å; P38-R106 PolarHBondContact O-NH1 2.8Å; P38-R106 PolarHBondContact O-NH2 2.87Å
39	E	85.7	Confident	77.7	Confident	110 Å²	110	99.4 Å²	99.4	51%	0.514	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-55.2	144.5	174.1	-64.4	-62.4	155.2	0	0	111.7	K35 L41 N105	K35-E39 IonicContact NZ-OE1 2.68Å; K35-E39 PolarHBondContact NZ-OE1 2.93Å; E39-L41 PolarHBondContact O-N 2.69Å; E39-N105 PolarHBondContact OE1-ND2 3.3Å; E39-N105 PolarHBondContact OE2-ND2 3.02Å
40	P	82.6	Confident	78.7	Confident	57 Å²	57	95.6 Å²	95.6	37%	0.37	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-57.6	137.9	172.3	24.7	-32.3	0	0	0	110.6
41	L	82.2	Confident	80	Confident	99 Å²	99	90.4 Å²	90.4	52%	0.518	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-63.5	134.6	176.3	-62.1	177.5	0	0	0	109.4	E39 Y45 Q47	E39-L41 PolarHBondContact O-N 2.69Å; L41-Y45 HydrophobicContact CB-CD2 4.32Å; L41-Y45 HydrophobicContact CB-CG 4.33Å; L41-Y45 HydrophobicContact CD1-CD1 4.44Å; L41-Y45 HydrophobicContact CD1-CD2 4.48Å; L41-Y45 HydrophobicContact CD1-CG 4.01Å; L41-Q47 HydrophobicContact CB-CG 4.12Å; L41-Q47 VanDerWaalsContact N-CD 3.25Å
42	K	81	Confident	81.3	Confident	181 Å²	181	89.4 Å²	89.4	79%	0.787	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-79.7	157.1	171.8	-63.4	-176.4	-179	179.4	0	109.8	Y45	K42-Y45 WeakPolarHBondContact O-CD2 3.26Å; K42-Y45 PolarHBondContact O-N 2.89Å
43	E	78.5	Confident	82.8	Confident	186 Å²	186	85.7 Å²	85.7	87%	0.869	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	133.3	169.9	-167.7	172	-168.5	0	0	110
44	P	83.5	Confident	83.8	Confident	116 Å²	116	78.7 Å²	78.7	75%	0.753	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	cis	-95	8	25.7	37.7	-37.4	0	0	0	116.5
45	Y	79.1	Confident	84.4	Confident	155 Å²	155	71.6 Å²	71.6	61%	0.608	35%	0.351	S	S	*	.	S	Bend	trans	-78.9	125.7	-177.5	-61.2	-78.5	0	0	0	111.4	L41 K42 Q47	L41-Y45 HydrophobicContact CB-CD2 4.32Å; L41-Y45 HydrophobicContact CB-CG 4.33Å; L41-Y45 HydrophobicContact CD1-CD1 4.44Å; L41-Y45 HydrophobicContact CD1-CD2 4.48Å; L41-Y45 HydrophobicContact CD1-CG 4.01Å; K42-Y45 WeakPolarHBondContact O-CD2 3.26Å; K42-Y45 PolarHBondContact O-N 2.89Å; Y45-Q47 PolarHBondContact O-N 3.42Å
46	Y	74.1	Confident	84.5	Confident	188 Å²	188	66.5 Å²	66.5	74%	0.737	33%	0.329	S	S	*	.			trans	-73.1	121.6	174	-174.4	-97	0	0	0	109.6
47	Q	75.9	Confident	84.3	Confident	63 Å²	63	67.8 Å²	67.8	29%	0.294	34%	0.339	S	S	.	.			trans	-108.9	143.9	171	-64.6	-153.1	-46.1	0	0	110.6	L41 Y45	L41-Q47 HydrophobicContact CB-CG 4.12Å; L41-Q47 VanDerWaalsContact N-CD 3.25Å; Y45-Q47 PolarHBondContact O-N 3.42Å
48	P	78.8	Confident	84.2	Confident	31 Å²	31	67.5 Å²	67.5	20%	0.201	34%	0.338	C	S	.	.			trans	-54.2	136.1	171.7	-29.4	38.4	0	0	0	112	I50 M82 M261 S263	P48-I50 PolarHBondContact O-N 3.12Å; P48-M82 HydrophobicContact CG-CE 4.14Å; P48-M261 WeakPolarHBondContact CB-O 3.29Å; P48-S263 VanDerWaalsContact CB-N 3.27Å
49	P	80.7	Confident	84.2	Confident	53 Å²	53	64.4 Å²	64.4	34%	0.344	32%	0.317	S	S	.	.	S	Bend	trans	-63.3	-22.6	-179.9	24.4	-36.7	0	0	0	113.9	M261	P49-M261 VanDerWaalsContact CD-O 3.31Å; P49-M261 WeakPolarHBondContact CD-O 3.34Å
50	I	87.7	Confident	84.1	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.5	-176.9	-60.3	179.2	0	0	0	109.1	P48 K110 I112 I153 A154 V161 S263	P48-I50 PolarHBondContact O-N 3.12Å; I50-K110 WeakPolarHBondContact CA-O 3.5Å; I50-K110 WeakPolarHBondContact CG2-O 3.43Å; I50-I112 HydrophobicContact CG2-CD1 4Å; I50-I112 HydrophobicContact CG2-CG1 4.09Å; I50-I153 HydrophobicContact CD1-CG2 3.81Å; I50-A154 HydrophobicContact CD1-CB 4.27Å; I50-V161 HydrophobicContact CD1-CG1 4.14Å; I50-S263 PolarHBondContact O-N 3.23Å
51	T	90.7	Very high	84.1	Confident	11 Å²	11	57.5 Å²	57.5	7%	0.067	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	123.6	168.9	-56.6	0	0	0	0	109.3	R106 K110 V111 I112 I265	T51-R106 HydrophobicContact CG2-CG 4.31Å; T51-K110 PolarHBondContact N-O 2.71Å; T51-V111 WeakPolarHBondContact O-CA 3.43Å; T51-I112 PolarHBondContact O-N 2.8Å; T51-I265 HydrophobicContact CG2-CD1 3.62Å; T51-I265 HydrophobicContact CG2-CG1 4.28Å
52	L	91.3	Very high	83.9	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.3	176.7	-175.2	70	0	0	0	110	V54 I112 I114 L150 L259 I262 S263 E264 I265	L52-V54 HydrophobicContact CD1-CG2 4.48Å; L52-V54 HydrophobicContact CD2-CG2 3.68Å; L52-V54 HydrophobicContact CG-CG2 3.66Å; L52-I112 WeakPolarHBondContact CA-O 3.37Å; L52-I112 HydrophobicContact CD1-CB 3.92Å; L52-I112 HydrophobicContact CD1-CG2 4Å; L52-I114 HydrophobicContact CD1-CD1 3.63Å; L52-I114 HydrophobicContact CD1-CG1 3.98Å; L52-I114 HydrophobicContact CD2-CD1 4.33Å; L52-I114 HydrophobicContact CG-CD1 4.35Å; L52-L150 HydrophobicContact CD1-CD1 4.21Å; L52-L150 HydrophobicContact CD1-CD2 3.82Å; L52-L150 HydrophobicContact CD2-CD1 3.74Å; L52-L259 HydrophobicContact CD2-CD1 3.84Å; L52-I262 HydrophobicContact CB-CG2 3.18Å; L52-I262 HydrophobicContact CD2-CG2 4.02Å; L52-I262 HydrophobicContact CG-CG2 4.19Å; L52-S263 PolarHBondContact N-O 2.95Å; L52-S263 VanDerWaalsContact O-O 3.09Å; L52-E264 HydrophobicContact CD2-CG 4.23Å; L52-E264 CarbonylContact O-C 3.5Å; L52-E264 WeakPolarHBondContact O-CA 3.38Å; L52-I265 PolarHBondContact O-N 2.86Å
53	V	92.7	Very high	83.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	120.4	176.7	-175.4	0	0	0	0	106.7	L101 L104 V111 I112 L113 I114 I265 F267	V53-L101 HydrophobicContact CG2-CD2 4.4Å; V53-L104 HydrophobicContact CG2-CD1 3.66Å; V53-V111 HydrophobicContact CG2-CG1 4.28Å; V53-I112 PolarHBondContact N-O 3.29Å; V53-L113 HydrophobicContact CB-CB 4.49Å; V53-L113 HydrophobicContact CB-CD1 3.86Å; V53-L113 HydrophobicContact CG1-CD1 3.55Å; V53-L113 CarbonylContact O-C 3.5Å; V53-L113 WeakPolarHBondContact O-CA 3.43Å; V53-I114 PolarHBondContact O-N 3.14Å; V53-I265 CarbonylContact C-O 3.52Å; V53-I265 WeakPolarHBondContact CA-O 3.5Å; V53-I265 HydrophobicContact CG2-CB 4.34Å; V53-I265 HydrophobicContact CG2-CD1 4.28Å; V53-F267 HydrophobicContact CG1-CD2 3.3Å; V53-F267 HydrophobicContact CG1-CE2 3.39Å
54	V	91	Very high	83	Confident	10 Å²	10	46.1 Å²	46.1	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.9	-176	-171	0	0	0	0	109.2	L52 L56 V59 L60 I114 I265 L266 F267	L52-V54 HydrophobicContact CD1-CG2 4.48Å; L52-V54 HydrophobicContact CD2-CG2 3.68Å; L52-V54 HydrophobicContact CG-CG2 3.66Å; V54-L56 PolarHBondContact O-N 2.85Å; V54-V59 HydrophobicContact CG1-CG1 4.22Å; V54-L60 HydrophobicContact CG1-CD1 4.01Å; V54-L60 HydrophobicContact CG1-CD2 4.45Å; V54-L60 HydrophobicContact CG1-CG 4.05Å; V54-I114 HydrophobicContact CG1-CB 4.43Å; V54-I114 HydrophobicContact CG2-CD1 4.37Å; V54-I265 PolarHBondContact N-O 3.16Å; V54-L266 HydrophobicContact CB-CD2 4.07Å; V54-F267 PolarHBondContact O-N 3.23Å
55	E	90	Very high	82.2	Confident	34 Å²	34	44.5 Å²	44.5	16%	0.159	21%	0.211	C	C	.	.			trans	-65	128.3	167.1	175.6	62.8	-171.2	0	0	110	S57 V59 K99 I114 D115	E55-S57 VanDerWaalsContact CG-O 3.23Å; E55-S57 WeakPolarHBondContact CG-O 3.44Å; E55-V59 HydrophobicContact CB-CG2 4.05Å; E55-V59 HydrophobicContact CG-CG2 4.47Å; E55-V59 WeakPolarHBondContact O-CB 2.73Å; E55-K99 VanDerWaalsContact OE2-CE 3.25Å; E55-K99 WeakPolarHBondContact OE2-CE 3.28Å; E55-K99 IonicContact OE2-NZ 2.61Å; E55-K99 PolarHBondContact OE2-NZ 2.72Å; E55-I114 PolarHBondContact N-O 2.83Å; E55-D115 HydrophobicContact CB-CB 4.49Å
56	L	85.6	Confident	81.2	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-54.1	177	-174.8	70.8	0	0	0	111.4	V54 L60 V61 A68 I72 L75 F267	V54-L56 PolarHBondContact O-N 2.85Å; L56-L60 HydrophobicContact CD1-CB 4.3Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 PolarHBondContact O-N 3.49Å; L56-V61 HydrophobicContact CD1-CG2 3.86Å; L56-V61 HydrophobicContact CG-CG2 3.97Å; L56-V61 PolarHBondContact O-N 2.99Å; L56-A68 HydrophobicContact CD2-CB 4.09Å; L56-I72 HydrophobicContact CD1-CG1 4.23Å; L56-I72 HydrophobicContact CD2-CD1 3.82Å; L56-I72 HydrophobicContact CD2-CG1 3.55Å; L56-L75 HydrophobicContact CD1-CD1 3.38Å; L56-F267 WeakPolarHBondContact CB-O 3.47Å; L56-F267 PolarHBondContact N-O 3.41Å
57	S	85.4	Confident	80.7	Confident	43 Å²	43	38.5 Å²	38.5	30%	0.301	21%	0.21	S	C	.	.	B	Isolated β-bridge	trans	-83.2	121.8	-170.8	-60.3	0	0	0	0	111.2	E55 W116	E55-S57 VanDerWaalsContact CG-O 3.23Å; E55-S57 WeakPolarHBondContact CG-O 3.44Å; S57-W116 VanDerWaalsContact O-CD1 3.26Å; S57-W116 PolarHBondContact O-NE1 2.96Å
58	G	85.2	Confident	80.3	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-4.9	-178.2	0	0	0	0	0	114.8	V61 W134	G58-V61 WeakPolarHBondContact CA-O 3.11Å; G58-V61 PolarHBondContact N-O 3.48Å; G58-W134 WeakPolarHBondContact O-CB 3.47Å; G58-W134 PolarHBondContact O-N 3.38Å
59	V	86.6	Confident	79.7	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.024	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-56.7	168.5	-175	0	0	0	0	110.5	V54 E55 I114 V131 L143 R248	V54-V59 HydrophobicContact CG1-CG1 4.22Å; E55-V59 HydrophobicContact CB-CG2 4.05Å; E55-V59 HydrophobicContact CG-CG2 4.47Å; E55-V59 WeakPolarHBondContact O-CB 2.73Å; V59-I114 HydrophobicContact CG1-CG2 3.99Å; V59-I114 HydrophobicContact CG2-CG2 4.45Å; V59-V131 HydrophobicContact CG1-CG2 4.21Å; V59-V131 HydrophobicContact CG2-CG2 3.9Å; V59-L143 HydrophobicContact CG1-CD2 4.26Å; V59-R248 PolarHBondContact O-NE 3.46Å; V59-R248 PolarHBondContact O-NH2 3.41Å
60	L	83.3	Confident	79.4	Confident	20 Å²	20	41.2 Å²	41.2	11%	0.105	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-35.3	-179.1	-61.7	179.4	0	0	0	112.6	V54 L56 L143 R248 L266	V54-L60 HydrophobicContact CG1-CD1 4.01Å; V54-L60 HydrophobicContact CG1-CD2 4.45Å; V54-L60 HydrophobicContact CG1-CG 4.05Å; L56-L60 HydrophobicContact CD1-CB 4.3Å; L56-L60 HydrophobicContact CD1-CD1 4.22Å; L56-L60 PolarHBondContact O-N 3.49Å; L60-L143 HydrophobicContact CD2-CD1 4.02Å; L60-L143 HydrophobicContact CD2-CD2 4.08Å; L60-R248 WeakPolarHBondContact O-CG 3.44Å; L60-L266 HydrophobicContact CD1-CD2 3.62Å
61	V	81.8	Confident	78.8	Confident	2 Å²	2	42 Å²	42	1%	0.012	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-126.4	149.2	-174.5	-176.5	0	0	0	0	110.3	L56 G58 W65 I71 L75	L56-V61 HydrophobicContact CD1-CG2 3.86Å; L56-V61 HydrophobicContact CG-CG2 3.97Å; L56-V61 PolarHBondContact O-N 2.99Å; G58-V61 WeakPolarHBondContact CA-O 3.11Å; G58-V61 PolarHBondContact N-O 3.48Å; V61-W65 HydrophobicContact CG1-CB 4.05Å; V61-W65 HydrophobicContact CG1-CD2 3.69Å; V61-W65 HydrophobicContact CG1-CE3 3.33Å; V61-W65 HydrophobicContact CG1-CG 3.99Å; V61-W65 HydrophobicContact CG1-CZ3 4.18Å; V61-I71 HydrophobicContact CG1-CD1 4.44Å; V61-I71 HydrophobicContact CG1-CG2 4.03Å; V61-I71 HydrophobicContact CG2-CG2 3.66Å; V61-L75 HydrophobicContact CG2-CD1 3.58Å; V61-L75 HydrophobicContact CG2-CD2 4.42Å; V61-L75 HydrophobicContact CG2-CG 4.47Å
62	H	79.8	Confident	77.9	Confident	28 Å²	28	41.7 Å²	41.7	13%	0.13	23%	0.23	C	C	.	.			trans	-66.8	133.6	174.4	-167.6	-97.8	0	0	0	110.4	E64 W65 W134	H62-E64 IonicContact CE1-OE2 3.47Å; H62-E64 IonicContact ND1-OE2 2.68Å; H62-E64 PolarHBondContact O-N 3.38Å; H62-W65 PolarHBondContact O-N 3.47Å; H62-W134 HydrophobicContact CB-CE3 4.41Å; H62-W134 HydrophobicContact CB-CZ3 4.1Å
63	P	69.4	Low	77.2	Confident	46 Å²	46	46.8 Å²	46.8	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-16	-173.7	29	-43.7	0	0	0	115.8	W65	P63-W65 PolarHBondContact O-N 3.03Å
64	E	71.4	Confident	76.4	Confident	153 Å²	153	50.7 Å²	50.7	72%	0.715	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.3	-178.8	-68.1	-176.5	165.5	0	0	113.6	H62 T66	H62-E64 IonicContact CE1-OE2 3.47Å; H62-E64 IonicContact ND1-OE2 2.68Å; H62-E64 PolarHBondContact O-N 3.38Å; E64-T66 PolarHBondContact O-N 2.95Å
65	W	65.3	Low	75.6	Confident	83 Å²	83	50.7 Å²	50.7	31%	0.314	28%	0.28	S	S	.	.			trans	-81.9	116.1	-176.5	-71.1	16.8	0	0	0	110.8	V61 H62 P63 T67 I71 V245	V61-W65 HydrophobicContact CG1-CB 4.05Å; V61-W65 HydrophobicContact CG1-CD2 3.69Å; V61-W65 HydrophobicContact CG1-CE3 3.33Å; V61-W65 HydrophobicContact CG1-CG 3.99Å; V61-W65 HydrophobicContact CG1-CZ3 4.18Å; H62-W65 PolarHBondContact O-N 3.47Å; P63-W65 PolarHBondContact O-N 3.03Å; W65-T67 PolarHBondContact O-N 2.89Å; W65-I71 HydrophobicContact CB-CD1 3.66Å; W65-I71 HydrophobicContact CD2-CD1 4.24Å; W65-I71 HydrophobicContact CE3-CB 4.38Å; W65-I71 HydrophobicContact CE3-CD1 3.55Å; W65-I71 HydrophobicContact CE3-CG1 3.64Å; W65-I71 HydrophobicContact CE3-CG2 3.78Å; W65-I71 HydrophobicContact CG-CD1 4.37Å; W65-I71 HydrophobicContact CZ3-CD1 4.45Å; W65-I71 HydrophobicContact CZ3-CG1 4.06Å; W65-I71 HydrophobicContact CZ3-CG2 3.86Å; W65-V245 HydrophobicContact CH2-CB 3.51Å; W65-V245 HydrophobicContact CH2-CG1 3.34Å; W65-V245 HydrophobicContact CH2-CG2 3.31Å; W65-V245 HydrophobicContact CZ2-CB 3.96Å; W65-V245 HydrophobicContact CZ2-CG1 4.21Å; W65-V245 HydrophobicContact CZ2-CG2 3.23Å; W65-V245 HydrophobicContact CZ3-CB 4.31Å; W65-V245 HydrophobicContact CZ3-CG1 3.64Å; W65-V245 HydrophobicContact CZ3-CG2 4.16Å
66	T	58.6	Low	75	Confident	136 Å²	136	49.4 Å²	49.4	83%	0.834	27%	0.274	S	S	*	.			trans	-81.7	-9.4	-166.8	49.3	0	0	0	0	115.5	E64	E64-T66 PolarHBondContact O-N 2.95Å
67	T	64.6	Low	74.5	Confident	80 Å²	80	53.8 Å²	53.8	49%	0.491	30%	0.303	S	S	.	.			trans	-135.2	92.2	-172	-41.5	0	0	0	0	111.8	W65 H69 P70 I71	W65-T67 PolarHBondContact O-N 2.89Å; T67-H69 VanDerWaalsContact C-N 3.32Å; T67-H69 PolarHBondContact O-N 3.17Å; T67-P70 HydrophobicContact CG2-CG 3.91Å; T67-P70 VanDerWaalsContact O-CD 3.3Å; T67-P70 WeakPolarHBondContact O-CD 3.3Å; T67-P70 WeakPolarHBondContact O-CG 2.79Å; T67-I71 WeakPolarHBondContact O-CD1 3.19Å; T67-I71 WeakPolarHBondContact O-CG1 3.32Å
68	A	65.8	Low	74	Confident	40 Å²	40	56.1 Å²	56.1	33%	0.331	32%	0.316	S	S	.	.	H	α-helix	trans	-57.9	-37.7	-175.8	0	0	0	0	0	114.1	L56 I71 I72	L56-A68 HydrophobicContact CD2-CB 4.09Å; A68-I71 WeakPolarHBondContact O-CB 3.34Å; A68-I71 PolarHBondContact O-N 3.14Å; A68-I72 HydrophobicContact CB-CD1 4.17Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.38Å; A68-I72 PolarHBondContact O-N 3.41Å
69	H	67.5	Low	73.6	Confident	100 Å²	100	58.2 Å²	58.2	46%	0.463	34%	0.337	S	S	.	.	H	α-helix	trans	-59.7	-55.8	-169.7	-155.8	73.6	0	0	0	115.2	T67 I71 I72 E73	T67-H69 VanDerWaalsContact C-N 3.32Å; T67-H69 PolarHBondContact O-N 3.17Å; H69-I71 PolarHBondContact O-N 2.81Å; H69-I72 PolarHBondContact O-N 3.4Å; H69-E73 IonicContact CD2-OE1 2.63Å; H69-E73 IonicContact NE2-OE1 3.95Å; H69-E73 PolarHBondContact O-N 3.31Å
70	P	74.4	Confident	72.9	Confident	65 Å²	65	61.7 Å²	61.7	42%	0.422	36%	0.355	S	S	.	.	H	α-helix	trans	-64.7	-27.3	177.6	26.3	-36.1	0	0	0	113	T67 S74	T67-P70 HydrophobicContact CG2-CG 3.91Å; T67-P70 VanDerWaalsContact O-CD 3.3Å; T67-P70 WeakPolarHBondContact O-CD 3.3Å; T67-P70 WeakPolarHBondContact O-CG 2.79Å; P70-S74 PolarHBondContact O-N 2.91Å; P70-S74 PolarHBondContact O-OG 3.49Å
71	I	73.8	Confident	72.7	Confident	22 Å²	22	61.1 Å²	61.1	11%	0.113	35%	0.354	C	S	.	.	H	α-helix	trans	-71.3	-44.4	178.6	-56	157	0	0	0	109.8	V61 W65 T67 A68 H69 E73 S74 L75	V61-I71 HydrophobicContact CG1-CD1 4.44Å; V61-I71 HydrophobicContact CG1-CG2 4.03Å; V61-I71 HydrophobicContact CG2-CG2 3.66Å; W65-I71 HydrophobicContact CB-CD1 3.66Å; W65-I71 HydrophobicContact CD2-CD1 4.24Å; W65-I71 HydrophobicContact CE3-CB 4.38Å; W65-I71 HydrophobicContact CE3-CD1 3.55Å; W65-I71 HydrophobicContact CE3-CG1 3.64Å; W65-I71 HydrophobicContact CE3-CG2 3.78Å; W65-I71 HydrophobicContact CG-CD1 4.37Å; W65-I71 HydrophobicContact CZ3-CD1 4.45Å; W65-I71 HydrophobicContact CZ3-CG1 4.06Å; W65-I71 HydrophobicContact CZ3-CG2 3.86Å; T67-I71 WeakPolarHBondContact O-CD1 3.19Å; T67-I71 WeakPolarHBondContact O-CG1 3.32Å; A68-I71 WeakPolarHBondContact O-CB 3.34Å; A68-I71 PolarHBondContact O-N 3.14Å; H69-I71 PolarHBondContact O-N 2.81Å; I71-E73 VanDerWaalsContact C-N 3.32Å; I71-E73 PolarHBondContact O-N 3.27Å; I71-S74 CarbonylContact O-C 3.58Å; I71-S74 WeakPolarHBondContact O-CB 3.24Å; I71-S74 PolarHBondContact O-N 3.01Å; I71-S74 VanDerWaalsContact O-N 3.1Å; I71-L75 HydrophobicContact CG2-CD1 3.81Å; I71-L75 HydrophobicContact CG2-CG 4.3Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 WeakPolarHBondContact O-CG 3.38Å; I71-L75 PolarHBondContact O-N 2.69Å
72	I	73.2	Confident	72.7	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.021	38%	0.375	C	S	.	.	H	α-helix	trans	-61.4	-42.2	177.4	-66.4	162.9	0	0	0	110.7	L56 A68 H69 S74 L75 D76 Y86	L56-I72 HydrophobicContact CD1-CG1 4.23Å; L56-I72 HydrophobicContact CD2-CD1 3.82Å; L56-I72 HydrophobicContact CD2-CG1 3.55Å; A68-I72 HydrophobicContact CB-CD1 4.17Å; A68-I72 VanDerWaalsContact O-CG1 3.24Å; A68-I72 WeakPolarHBondContact O-CG1 3.38Å; A68-I72 PolarHBondContact O-N 3.41Å; H69-I72 PolarHBondContact O-N 3.4Å; I72-S74 PolarHBondContact O-N 3.49Å; I72-L75 PolarHBondContact O-N 2.7Å; I72-D76 PolarHBondContact O-N 3.41Å; I72-Y86 HydrophobicContact CD1-CE1 4.19Å
73	E	76.1	Confident	73	Confident	109 Å²	109	67.7 Å²	67.7	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-62.8	-30.7	176.1	-69.4	-178	163	0	0	112.6	H69 I71	H69-E73 IonicContact CD2-OE1 2.63Å; H69-E73 IonicContact NE2-OE1 3.95Å; H69-E73 PolarHBondContact O-N 3.31Å; I71-E73 VanDerWaalsContact C-N 3.32Å; I71-E73 PolarHBondContact O-N 3.27Å
74	S	76.1	Confident	73.7	Confident	81 Å²	81	69.4 Å²	69.4	57%	0.566	38%	0.383	S	S	*	.	H	α-helix	trans	-80.2	-32.6	175.7	-54.5	0	0	0	0	112.8	P70 I71 I72	P70-S74 PolarHBondContact O-N 2.91Å; P70-S74 PolarHBondContact O-OG 3.49Å; I71-S74 CarbonylContact O-C 3.58Å; I71-S74 WeakPolarHBondContact O-CB 3.24Å; I71-S74 PolarHBondContact O-N 3.01Å; I71-S74 VanDerWaalsContact O-N 3.1Å; I72-S74 PolarHBondContact O-N 3.49Å
75	L	74.9	Confident	74.5	Confident	11 Å²	11	62.8 Å²	62.8	6%	0.058	35%	0.353	C	S	.	.	H	α-helix	trans	-71.4	-40	176.5	-80.2	158.7	0	0	0	113	L56 V61 I71 I72 P77 L249	L56-L75 HydrophobicContact CD1-CD1 3.38Å; V61-L75 HydrophobicContact CG2-CD1 3.58Å; V61-L75 HydrophobicContact CG2-CD2 4.42Å; V61-L75 HydrophobicContact CG2-CG 4.47Å; I71-L75 HydrophobicContact CG2-CD1 3.81Å; I71-L75 HydrophobicContact CG2-CG 4.3Å; I71-L75 WeakPolarHBondContact O-CB 3.45Å; I71-L75 WeakPolarHBondContact O-CG 3.38Å; I71-L75 PolarHBondContact O-N 2.69Å; I72-L75 PolarHBondContact O-N 2.7Å; L75-P77 WeakPolarHBondContact O-CD 3.46Å; L75-L249 HydrophobicContact CB-CD2 3.93Å; L75-L249 HydrophobicContact CD2-CD2 3.18Å; L75-L249 HydrophobicContact CD2-CG 4.2Å; L75-L249 HydrophobicContact CG-CD2 3.39Å
76	D	76.1	Confident	75.5	Confident	6 Å²	6	62.8 Å²	62.8	3%	0.032	35%	0.353	C	S	.	.			trans	-128	64.7	-172.4	-175.4	28.5	0	0	0	110.4	I72 T78 G79 L80 A81 R84	I72-D76 PolarHBondContact O-N 3.41Å; D76-T78 PolarHBondContact O-N 2.91Å; D76-G79 PolarHBondContact O-N 3.14Å; D76-G79 WeakPolarHBondContact OD1-CA 2.96Å; D76-G79 PolarHBondContact OD1-N 2.73Å; D76-G79 VanDerWaalsContact OD2-C 3.25Å; D76-G79 WeakPolarHBondContact OD2-CA 3.11Å; D76-L80 WeakPolarHBondContact OD1-CB 3.46Å; D76-L80 PolarHBondContact OD1-N 2.99Å; D76-L80 PolarHBondContact OD2-N 2.61Å; D76-A81 WeakPolarHBondContact OD2-CB 3.26Å; D76-A81 PolarHBondContact OD2-N 3.08Å; D76-R84 IonicContact OD2-NH2 3.86Å
77	P	74.4	Confident	76.7	Confident	96 Å²	96	64.9 Å²	64.9	62%	0.623	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-23.7	-179.3	27.3	-35	0	0	0	112	L75	L75-P77 WeakPolarHBondContact O-CD 3.46Å
78	T	76.4	Confident	77.6	Confident	93 Å²	93	65.1 Å²	65.1	57%	0.571	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-13.3	179.9	45.2	0	0	0	0	113.4	D76 L80	D76-T78 PolarHBondContact O-N 2.91Å; T78-L80 WeakPolarHBondContact OG1-CD1 3.43Å; T78-L80 VanDerWaalsContact OG1-CG 3.3Å; T78-L80 WeakPolarHBondContact OG1-CG 3.41Å
79	G	76.6	Confident	78.5	Confident	44 Å²	44	63.5 Å²	63.5	45%	0.454	33%	0.331	S	S	.	.			trans	73.2	35.4	179.8	0	0	0	0	0	113.7	D76 A81	D76-G79 PolarHBondContact O-N 3.14Å; D76-G79 WeakPolarHBondContact OD1-CA 2.96Å; D76-G79 PolarHBondContact OD1-N 2.73Å; D76-G79 VanDerWaalsContact OD2-C 3.25Å; D76-G79 WeakPolarHBondContact OD2-CA 3.11Å; G79-A81 VanDerWaalsContact C-N 3.32Å
80	L	72.2	Confident	79.5	Confident	76 Å²	76	59.4 Å²	59.4	40%	0.398	31%	0.313	S	S	.	.			trans	-66	-31.7	177.6	-65.1	168.7	0	0	0	112.3	D76 T78 M82 N256	D76-L80 WeakPolarHBondContact OD1-CB 3.46Å; D76-L80 PolarHBondContact OD1-N 2.99Å; D76-L80 PolarHBondContact OD2-N 2.61Å; T78-L80 WeakPolarHBondContact OG1-CD1 3.43Å; T78-L80 VanDerWaalsContact OG1-CG 3.3Å; T78-L80 WeakPolarHBondContact OG1-CG 3.41Å; L80-M82 PolarHBondContact O-N 2.61Å; L80-M82 VanDerWaalsContact O-N 3.14Å; L80-N256 HydrophobicContact CB-CB 4.4Å; L80-N256 HydrophobicContact CD1-CB 3.35Å; L80-N256 HydrophobicContact CG-CB 4.45Å
81	A	78.8	Confident	80.1	Confident	9 Å²	9	59.1 Å²	59.1	7%	0.074	31%	0.305	C	S	.	.			trans	-71.1	108.7	173.6	0	0	0	0	0	109.8	D76 G79 Y83 L266	D76-A81 WeakPolarHBondContact OD2-CB 3.26Å; D76-A81 PolarHBondContact OD2-N 3.08Å; G79-A81 VanDerWaalsContact C-N 3.32Å; A81-Y83 VanDerWaalsContact C-N 3.28Å; A81-Y83 PolarHBondContact O-N 2.75Å; A81-L266 HydrophobicContact CB-CD1 3.69Å; A81-L266 HydrophobicContact CB-CG 3.93Å
82	M	80.6	Confident	80.7	Confident	94 Å²	94	61.9 Å²	61.9	46%	0.463	32%	0.315	S	S	.	.	S	Bend	trans	-64.9	-33.3	-175.9	-75.7	-161.3	-79.2	0	0	113	P48 L80 S263 E264	P48-M82 HydrophobicContact CG-CE 4.14Å; L80-M82 PolarHBondContact O-N 2.61Å; L80-M82 VanDerWaalsContact O-N 3.14Å; M82-S263 WeakPolarHBondContact CE-OG 3.47Å; M82-E264 PolarHBondContact N-O 3.02Å; M82-E264 VanDerWaalsContact N-O 3.13Å
83	Y	86.5	Confident	81.2	Confident	73 Å²	73	64.1 Å²	64.1	29%	0.286	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.3	178.8	-57.1	-79.7	0	0	0	110.8	L37 P38 A81 I265 L266	L37-Y83 HydrophobicContact CD2-CD1 4.05Å; L37-Y83 HydrophobicContact CD2-CD2 3.83Å; L37-Y83 HydrophobicContact CD2-CE2 4.42Å; L37-Y83 HydrophobicContact CD2-CG 3.62Å; P38-Y83 HydrophobicContact CG-CE1 3.94Å; P38-Y83 WeakPolarHBondContact CG-OH 3.19Å; A81-Y83 VanDerWaalsContact C-N 3.28Å; A81-Y83 PolarHBondContact O-N 2.75Å; Y83-I265 HydrophobicContact CD2-CG1 4.38Å; Y83-I265 WeakPolarHBondContact O-CA 3.34Å; Y83-L266 PolarHBondContact O-N 3.18Å; Y83-L266 VanDerWaalsContact O-N 3.15Å
84	R	85.5	Confident	81.7	Confident	83 Å²	83	68.4 Å²	68.4	31%	0.313	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.4	174	-62.1	169.8	-174.4	175.1	-1	107	D76 Y86	D76-R84 IonicContact OD2-NH2 3.86Å; R84-Y86 HydrophobicContact CB-CE2 4.33Å
85	L	87.3	Confident	82.1	Confident	14 Å²	14	66.4 Å²	66.4	7%	0.073	34%	0.338	C	S	.	.			trans	-102.6	151.7	174.9	-63.1	-179.9	0	0	0	108	L36 A89 L104 I265 L266 F267	L36-L85 HydrophobicContact CB-CD1 4.4Å; L36-L85 HydrophobicContact CB-CD2 4.29Å; L36-L85 HydrophobicContact CD1-CD1 4.2Å; L85-A89 HydrophobicContact CB-CB 3.96Å; L85-A89 HydrophobicContact CD1-CB 4.5Å; L85-A89 HydrophobicContact CD2-CB 4.06Å; L85-A89 HydrophobicContact CG-CB 4.39Å; L85-L104 HydrophobicContact CD1-CD2 3.7Å; L85-I265 HydrophobicContact CB-CG2 4.4Å; L85-I265 HydrophobicContact CD1-CG2 3.55Å; L85-I265 HydrophobicContact CG-CG2 3.7Å; L85-L266 PolarHBondContact N-O 2.95Å; L85-L266 VanDerWaalsContact O-O 3.14Å; L85-F267 HydrophobicContact CB-CD1 3.76Å; L85-F267 HydrophobicContact CB-CD2 4.33Å; L85-F267 HydrophobicContact CB-CE1 3.62Å; L85-F267 HydrophobicContact CB-CE2 4.21Å; L85-F267 HydrophobicContact CB-CG 4.15Å; L85-F267 HydrophobicContact CB-CZ 3.87Å; L85-F267 HydrophobicContact CD1-CD2 4.39Å; L85-F267 HydrophobicContact CD1-CE1 4.02Å; L85-F267 HydrophobicContact CD1-CE2 3.59Å; L85-F267 HydrophobicContact CD1-CZ 3.39Å; L85-F267 HydrophobicContact CG-CE1 4.48Å; L85-F267 HydrophobicContact CG-CZ 4.27Å; L85-F267 WeakPolarHBondContact O-CA 3.27Å
86	Y	85.5	Confident	82.7	Confident	83 Å²	83	69 Å²	69	33%	0.325	35%	0.349	S	S	.	.			trans	-129.8	-170.3	178.9	-57.2	-83.9	0	0	0	109.5	I72 R84 D88 A89	I72-Y86 HydrophobicContact CD1-CE1 4.19Å; R84-Y86 HydrophobicContact CB-CE2 4.33Å; Y86-D88 WeakPolarHBondContact CB-OD1 3.4Å; Y86-D88 PolarHBondContact O-N 3.17Å; Y86-D88 VanDerWaalsContact O-N 3.1Å; Y86-A89 WeakPolarHBondContact O-CB 3.44Å; Y86-A89 PolarHBondContact O-N 3.06Å
87	R	84.2	Confident	83.2	Confident	179 Å²	179	71.4 Å²	71.4	68%	0.675	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-55.7	-28.4	-179.3	-163.8	174.1	-169.8	174.3	2.2	113.8	A89 T90 H97	R87-A89 PolarHBondContact O-N 3.06Å; R87-T90 PolarHBondContact O-N 3.37Å; R87-T90 PolarHBondContact O-OG1 2.89Å; R87-H97 VanDerWaalsContact CZ-NE2 3.31Å; R87-H97 PolarHBondContact NE-CD2 3.5Å; R87-H97 PolarHBondContact NE-CE1 3.42Å; R87-H97 PolarHBondContact NE-NE2 2.87Å; R87-H97 PolarHBondContact NH2-CD2 3.27Å; R87-H97 VanDerWaalsContact NH2-CD2 3.33Å; R87-H97 PolarHBondContact NH2-NE2 3.35Å
88	D	82.9	Confident	84	Confident	85 Å²	85	66.9 Å²	66.9	46%	0.455	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-70.2	-16.6	176.8	68	-35.8	0	0	0	113.9	S32 Y86 T90	S32-D88 PolarHBondContact N-O 3.34Å; Y86-D88 WeakPolarHBondContact CB-OD1 3.4Å; Y86-D88 PolarHBondContact O-N 3.17Å; Y86-D88 VanDerWaalsContact O-N 3.1Å; D88-T90 VanDerWaalsContact C-N 3.34Å
89	A	85.9	Confident	84.8	Confident	6 Å²	6	62.9 Å²	62.9	5%	0.05	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-90.2	5.6	173.8	0	0	0	0	0	113.4	L36 L85 Y86 R87 F267	L36-A89 HydrophobicContact CD1-CB 4.17Å; L36-A89 HydrophobicContact CD2-CB 3.69Å; L85-A89 HydrophobicContact CB-CB 3.96Å; L85-A89 HydrophobicContact CD1-CB 4.5Å; L85-A89 HydrophobicContact CD2-CB 4.06Å; L85-A89 HydrophobicContact CG-CB 4.39Å; Y86-A89 WeakPolarHBondContact O-CB 3.44Å; Y86-A89 PolarHBondContact O-N 3.06Å; R87-A89 PolarHBondContact O-N 3.06Å; A89-F267 HydrophobicContact CB-CE1 3.99Å
90	T	88	Confident	85.5	Confident	15 Å²	15	61.5 Å²	61.5	9%	0.092	29%	0.288	C	S	.	.	S	Bend	trans	-103.6	153.2	178	68.4	0	0	0	0	111.6	R87 D88 H97 K99 F267	R87-T90 PolarHBondContact O-N 3.37Å; R87-T90 PolarHBondContact O-OG1 2.89Å; D88-T90 VanDerWaalsContact C-N 3.34Å; T90-H97 PolarHBondContact OG1-ND1 3.33Å; T90-K99 HydrophobicContact CG2-CG 4.22Å; T90-F267 HydrophobicContact CG2-CD1 4.34Å; T90-F267 HydrophobicContact CG2-CE1 4.07Å
91	K	86.9	Confident	86.5	Confident	58 Å²	58	58 Å²	58	25%	0.252	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	134.7	171.4	-61.1	-163.3	172.8	169.6	0	109.8	P31 V93 V98 D100	P31-K91 HydrophobicContact CG-CG 4.07Å; K91-V93 HydrophobicContact CB-CG2 4.13Å; K91-V93 PolarHBondContact O-N 3.41Å; K91-V98 PolarHBondContact N-O 2.75Å; K91-V98 PolarHBondContact O-N 3.17Å; K91-D100 HydrophobicContact CD-CB 3.86Å; K91-D100 WeakPolarHBondContact CD-OD2 3.42Å; K91-D100 WeakPolarHBondContact CE-OD2 3.27Å; K91-D100 HydrophobicContact CG-CB 4.06Å; K91-D100 IonicContact NZ-OD2 2.57Å; K91-D100 PolarHBondContact NZ-OD2 3.36Å
92	Y	85.5	Confident	87.1	Confident	81 Å²	81	60.9 Å²	60.9	32%	0.318	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	105.3	175.9	-166.2	-109.6	0	0	0	110.6	I28 K29 G95 H97	I28-Y92 HydrophobicContact CG2-CD1 4.48Å; K29-Y92 HydrophobicContact CG-CD1 4.48Å; K29-Y92 PolarHBondContact O-N 3.46Å; Y92-G95 VanDerWaalsContact CE2-C 3.45Å; Y92-G95 WeakPolarHBondContact CE2-O 3.48Å; Y92-G95 VanDerWaalsContact CZ-C 3.49Å; Y92-G95 VanDerWaalsContact CZ-CA 3.47Å; Y92-G95 VanDerWaalsContact OH-CA 3.29Å; Y92-G95 WeakPolarHBondContact OH-CA 3.45Å; Y92-G95 PolarHBondContact OH-O 2.55Å; Y92-H97 AromaticContact CD2-CD2 3.99Å; Y92-H97 AromaticContact CD2-CE1 3.82Å; Y92-H97 AromaticContact CD2-NE2 3.69Å; Y92-H97 AromaticContact CE2-NE2 3.87Å
93	V	84.9	Confident	87.6	Confident	50 Å²	50	57 Å²	57	30%	0.303	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.2	-174.6	-175.9	0	0	0	0	109.5	K91 G95 E96 V98	K91-V93 HydrophobicContact CB-CG2 4.13Å; K91-V93 PolarHBondContact O-N 3.41Å; V93-G95 PolarHBondContact O-N 3.42Å; V93-G95 VanDerWaalsContact O-N 3.13Å; V93-E96 PolarHBondContact N-O 2.73Å; V93-E96 PolarHBondContact O-N 2.84Å; V93-V98 HydrophobicContact CB-CG2 3.91Å; V93-V98 HydrophobicContact CG2-CB 4.44Å; V93-V98 HydrophobicContact CG2-CG2 4.23Å
94	K	85.4	Confident	87.7	Confident	199 Å²	199	53.6 Å²	53.6	87%	0.865	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	35	175.8	-61.7	177.3	-179.4	175.2	0	114.9
95	G	84.6	Confident	88	Confident	40 Å²	40	51.3 Å²	51.3	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-6.9	178.1	0	0	0	0	0	114.7	Y92 V93	Y92-G95 VanDerWaalsContact CE2-C 3.45Å; Y92-G95 WeakPolarHBondContact CE2-O 3.48Å; Y92-G95 VanDerWaalsContact CZ-C 3.49Å; Y92-G95 VanDerWaalsContact CZ-CA 3.47Å; Y92-G95 VanDerWaalsContact OH-CA 3.29Å; Y92-G95 WeakPolarHBondContact OH-CA 3.45Å; Y92-G95 PolarHBondContact OH-O 2.55Å; V93-G95 PolarHBondContact O-N 3.42Å; V93-G95 VanDerWaalsContact O-N 3.13Å
96	E	87.5	Confident	88.2	Confident	65 Å²	65	52.6 Å²	52.6	30%	0.304	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	149.5	-173.2	-59.4	-73.1	-178.8	0	0	110.7	V93 K119	V93-E96 PolarHBondContact N-O 2.73Å; V93-E96 PolarHBondContact O-N 2.84Å; E96-K119 HydrophobicContact CG-CD 4.02Å; E96-K119 WeakPolarHBondContact OE1-CD 3.36Å; E96-K119 IonicContact OE1-NZ 3.76Å; E96-K119 PolarHBondContact OE1-NZ 2.73Å
97	H	88.3	Confident	88.5	Confident	57 Å²	57	53.6 Å²	53.6	26%	0.264	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.9	171.2	-74	-87.5	0	0	0	109.6	R87 T90 Y92	R87-H97 VanDerWaalsContact CZ-NE2 3.31Å; R87-H97 PolarHBondContact NE-CD2 3.5Å; R87-H97 PolarHBondContact NE-CE1 3.42Å; R87-H97 PolarHBondContact NE-NE2 2.87Å; R87-H97 PolarHBondContact NH2-CD2 3.27Å; R87-H97 VanDerWaalsContact NH2-CD2 3.33Å; R87-H97 PolarHBondContact NH2-NE2 3.35Å; T90-H97 PolarHBondContact OG1-ND1 3.33Å; Y92-H97 AromaticContact CD2-CD2 3.99Å; Y92-H97 AromaticContact CD2-CE1 3.82Å; Y92-H97 AromaticContact CD2-NE2 3.69Å; Y92-H97 AromaticContact CE2-NE2 3.87Å
98	V	91.4	Very high	89	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	128.9	-178.3	-171.9	0	0	0	0	109.5	K91 V93 D100 A120 Q122 L123	K91-V98 PolarHBondContact N-O 2.75Å; K91-V98 PolarHBondContact O-N 3.17Å; V93-V98 HydrophobicContact CB-CG2 3.91Å; V93-V98 HydrophobicContact CG2-CB 4.44Å; V93-V98 HydrophobicContact CG2-CG2 4.23Å; V98-D100 PolarHBondContact O-N 3.29Å; V98-A120 CarbonylContact C-O 3.51Å; V98-A120 WeakPolarHBondContact CA-O 3.33Å; V98-A120 WeakPolarHBondContact CG1-O 3.24Å; V98-Q122 HydrophobicContact CG1-CB 4.18Å; V98-L123 HydrophobicContact CG1-CB 4.3Å; V98-L123 HydrophobicContact CG1-CD1 3.84Å; V98-L123 HydrophobicContact CG1-CG 3.76Å
99	K	92.5	Very high	89.6	Confident	9 Å²	9	43.8 Å²	43.8	4%	0.039	23%	0.229	C	C	.	.			trans	-83.3	99.6	176.2	-62.3	173.9	179.5	175.7	0	108.5	E55 T90 L101 L113 D115 A120 F267	E55-K99 VanDerWaalsContact OE2-CE 3.25Å; E55-K99 WeakPolarHBondContact OE2-CE 3.28Å; E55-K99 IonicContact OE2-NZ 2.61Å; E55-K99 PolarHBondContact OE2-NZ 2.72Å; T90-K99 HydrophobicContact CG2-CG 4.22Å; K99-L101 PolarHBondContact O-N 3.14Å; K99-L113 HydrophobicContact CD-CD1 4Å; K99-L113 HydrophobicContact CD-CD2 4.3Å; K99-D115 WeakPolarHBondContact CE-OD2 3.18Å; K99-D115 IonicContact NZ-OD2 3.68Å; K99-D115 PolarHBondContact NZ-OD2 3.24Å; K99-A120 HydrophobicContact CD-CB 4.34Å; K99-A120 PolarHBondContact N-O 3.15Å; K99-F267 HydrophobicContact CB-CZ 4.45Å; K99-F267 HydrophobicContact CD-CD1 4.39Å; K99-F267 HydrophobicContact CD-CD2 4.04Å; K99-F267 HydrophobicContact CD-CE2 4.26Å; K99-F267 HydrophobicContact CD-CG 4.09Å; K99-F267 HydrophobicContact CG-CD1 4.34Å; K99-F267 HydrophobicContact CG-CE1 4.2Å; K99-F267 HydrophobicContact CG-CE2 4.45Å; K99-F267 HydrophobicContact CG-CZ 4.25Å
100	D	91.9	Very high	89.9	Confident	15 Å²	15	45.9 Å²	45.9	8%	0.08	24%	0.237	C	C	.	.			trans	-81.3	103.3	176.3	-168.7	-12.7	0	0	0	110.3	K91 V98 S102 C103 L123 Q124	K91-D100 HydrophobicContact CD-CB 3.86Å; K91-D100 WeakPolarHBondContact CD-OD2 3.42Å; K91-D100 WeakPolarHBondContact CE-OD2 3.27Å; K91-D100 HydrophobicContact CG-CB 4.06Å; K91-D100 IonicContact NZ-OD2 2.57Å; K91-D100 PolarHBondContact NZ-OD2 3.36Å; V98-D100 PolarHBondContact O-N 3.29Å; D100-S102 PolarHBondContact O-N 3.35Å; D100-S102 VanDerWaalsContact OD1-CB 3.32Å; D100-S102 WeakPolarHBondContact OD1-CB 3.49Å; D100-S102 PolarHBondContact OD1-N 3.44Å; D100-S102 VanDerWaalsContact OD1-N 3.07Å; D100-S102 PolarHBondContact OD1-OG 3.29Å; D100-S102 PolarHBondContact OD2-OG 3.42Å; D100-C103 PolarHBondContact O-N 2.8Å; D100-L123 HydrophobicContact CB-CD1 3.68Å; D100-Q124 PolarHBondContact OD1-NE2 3.03Å
101	L	93.1	Very high	90.2	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-67.4	-21.6	-178.1	-58.7	-180	0	0	0	112.5	V53 K99 C103 L104 L108 V111 L113 Q124 N127	V53-L101 HydrophobicContact CG2-CD2 4.4Å; K99-L101 PolarHBondContact O-N 3.14Å; L101-C103 PolarHBondContact O-N 3.19Å; L101-L104 HydrophobicContact CB-CD1 4.19Å; L101-L104 HydrophobicContact CD2-CD1 3.62Å; L101-L104 WeakPolarHBondContact O-CB 3.38Å; L101-L104 WeakPolarHBondContact O-CG 3.11Å; L101-L104 PolarHBondContact O-N 3.31Å; L101-L108 HydrophobicContact CB-CD2 3.78Å; L101-V111 HydrophobicContact CD1-CG1 4.17Å; L101-V111 HydrophobicContact CD2-CG1 4.43Å; L101-L113 HydrophobicContact CD1-CB 3.96Å; L101-L113 HydrophobicContact CD1-CD2 4.39Å; L101-L113 HydrophobicContact CD2-CB 4.21Å; L101-L113 HydrophobicContact CD2-CD2 4.23Å; L101-Q124 HydrophobicContact CB-CG 4.33Å; L101-Q124 HydrophobicContact CD1-CB 4Å; L101-Q124 HydrophobicContact CG-CB 4.42Å; L101-N127 HydrophobicContact CD1-CB 3.51Å
102	S	91.5	Very high	90.5	Very high	69 Å²	69	42.4 Å²	42.4	48%	0.483	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-63.4	-24.8	176.2	71.8	0	0	0	0	112.4	D100 L104	D100-S102 PolarHBondContact O-N 3.35Å; D100-S102 VanDerWaalsContact OD1-CB 3.32Å; D100-S102 WeakPolarHBondContact OD1-CB 3.49Å; D100-S102 PolarHBondContact OD1-N 3.44Å; D100-S102 VanDerWaalsContact OD1-N 3.07Å; D100-S102 PolarHBondContact OD1-OG 3.29Å; D100-S102 PolarHBondContact OD2-OG 3.42Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.4Å
103	C	90.1	Very high	91	Very high	13 Å²	13	38.6 Å²	38.6	9%	0.088	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-78.5	-8.4	177.2	-63.8	0	0	0	0	113.1	K35 L36 D100 L101 N105	K35-C103 CarbonylContact C-O 3.57Å; K35-C103 WeakPolarHBondContact CA-O 3.44Å; L36-C103 WeakPolarHBondContact CB-O 3.43Å; L36-C103 HydrophobicContact CD1-CB 3.79Å; L36-C103 HydrophobicContact CG-CB 3.81Å; L36-C103 PolarHBondContact N-O 2.96Å; D100-C103 PolarHBondContact O-N 2.8Å; L101-C103 PolarHBondContact O-N 3.19Å; C103-N105 PolarHBondContact O-N 3.38Å
104	L	89.7	Confident	91.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-73	-10.8	-179.9	-65.3	173.1	0	0	0	113.7	L36 L37 V53 L85 L101 S102 R106 V111 I265	L36-L104 HydrophobicContact CB-CD2 4.33Å; L36-L104 HydrophobicContact CD1-CD2 4.04Å; L37-L104 VanDerWaalsContact CB-O 3.28Å; L37-L104 WeakPolarHBondContact CB-O 3.48Å; L37-L104 HydrophobicContact CD1-CB 4.09Å; L37-L104 HydrophobicContact CD1-CD2 4.13Å; L37-L104 VanDerWaalsContact CD1-O 3.25Å; L37-L104 WeakPolarHBondContact CD1-O 3.05Å; L37-L104 HydrophobicContact CG-CB 4.48Å; L37-L104 HydrophobicContact CG-CD2 4.19Å; L37-L104 WeakPolarHBondContact CG-O 3.36Å; V53-L104 HydrophobicContact CG2-CD1 3.66Å; L85-L104 HydrophobicContact CD1-CD2 3.7Å; L101-L104 HydrophobicContact CB-CD1 4.19Å; L101-L104 HydrophobicContact CD2-CD1 3.62Å; L101-L104 WeakPolarHBondContact O-CB 3.38Å; L101-L104 WeakPolarHBondContact O-CG 3.11Å; L101-L104 PolarHBondContact O-N 3.31Å; S102-L104 VanDerWaalsContact C-N 3.28Å; S102-L104 PolarHBondContact O-N 3.4Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 HydrophobicContact CB-CG 4.38Å; L104-R106 PolarHBondContact O-N 3.16Å; L104-V111 HydrophobicContact CD1-CG1 4.15Å; L104-I265 HydrophobicContact CD2-CD1 4.25Å
105	N	91.1	Very high	91.8	Very high	36 Å²	36	26.9 Å²	26.9	19%	0.193	15%	0.151	C	C	.	.			trans	54.8	45.8	-176.4	-165.3	57.8	0	0	0	112.1	K35 E39 C103	K35-N105 HydrophobicContact CB-CB 4.41Å; K35-N105 HydrophobicContact CD-CB 4.26Å; K35-N105 WeakPolarHBondContact CE-OD1 3.18Å; K35-N105 HydrophobicContact CG-CB 4.31Å; K35-N105 PolarHBondContact NZ-OD1 3.06Å; E39-N105 PolarHBondContact OE1-ND2 3.3Å; E39-N105 PolarHBondContact OE2-ND2 3.02Å; C103-N105 PolarHBondContact O-N 3.38Å
106	R	91.7	Very high	92.2	Very high	40 Å²	40	28.7 Å²	28.7	15%	0.151	15%	0.145	C	C	.	.	S	Bend	trans	-133.5	156	177	-64.6	-65.9	179	-91.4	2.4	108.8	L37 P38 T51 L104 L108 V111	L37-R106 HydrophobicContact CD1-CG 4.11Å; P38-R106 PolarHBondContact O-NH1 2.8Å; P38-R106 PolarHBondContact O-NH2 2.87Å; T51-R106 HydrophobicContact CG2-CG 4.31Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 HydrophobicContact CB-CG 4.38Å; L104-R106 PolarHBondContact O-N 3.16Å; R106-L108 PolarHBondContact O-N 3.31Å; R106-V111 HydrophobicContact CB-CG2 3.65Å
107	D	92.4	Very high	92.4	Very high	105 Å²	105	27.5 Å²	27.5	56%	0.561	14%	0.141	S	C	*	.			trans	-70.2	120.5	173.1	-178.3	6.6	0	0	0	109.9	S109 K110 V111	D107-S109 PolarHBondContact O-N 2.86Å; D107-S109 VanDerWaalsContact O-N 3.15Å; D107-S109 PolarHBondContact OD1-N 3.15Å; D107-S109 PolarHBondContact OD1-OG 3.32Å; D107-S109 PolarHBondContact OD2-OG 3.28Å; D107-K110 PolarHBondContact O-N 2.74Å; D107-V111 WeakPolarHBondContact O-CG2 3.45Å; D107-V111 PolarHBondContact O-N 3.19Å
108	L	94.5	Very high	92.7	Very high	44 Å²	44	28.5 Å²	28.5	23%	0.23	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-61.2	-21.6	179	-64.6	178.2	0	0	0	112.4	L101 R106 K110 V111 N127	L101-L108 HydrophobicContact CB-CD2 3.78Å; R106-L108 PolarHBondContact O-N 3.31Å; L108-K110 PolarHBondContact O-N 3.39Å; L108-K110 VanDerWaalsContact O-N 3.17Å; L108-V111 PolarHBondContact O-N 3.2Å; L108-N127 PolarHBondContact O-ND2 2.93Å
109	S	94.4	Very high	92.8	Very high	14 Å²	14	33.1 Å²	33.1	10%	0.098	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-65.1	-15.9	173	81.3	0	0	0	0	113.4	D107 D160 V161	D107-S109 PolarHBondContact O-N 2.86Å; D107-S109 VanDerWaalsContact O-N 3.15Å; D107-S109 PolarHBondContact OD1-N 3.15Å; D107-S109 PolarHBondContact OD1-OG 3.32Å; D107-S109 PolarHBondContact OD2-OG 3.28Å; S109-D160 WeakPolarHBondContact O-CA 3.27Å; S109-V161 WeakPolarHBondContact O-CG2 3.43Å; S109-V161 PolarHBondContact O-N 3.05Å
110	K	92.7	Very high	92.7	Very high	49 Å²	49	33.1 Å²	33.1	21%	0.213	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-123.6	17	-177.2	-58.8	-63.4	-174.6	163.8	0	113.2	I50 T51 D107 L108 V158 A159	I50-K110 WeakPolarHBondContact CA-O 3.5Å; I50-K110 WeakPolarHBondContact CG2-O 3.43Å; T51-K110 PolarHBondContact N-O 2.71Å; D107-K110 PolarHBondContact O-N 2.74Å; L108-K110 PolarHBondContact O-N 3.39Å; L108-K110 VanDerWaalsContact O-N 3.17Å; K110-V158 PolarHBondContact NZ-O 3.06Å; K110-A159 VanDerWaalsContact CE-O 3.23Å; K110-A159 WeakPolarHBondContact CE-O 3.47Å
111	V	93.8	Very high	92.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.6	178.9	175.6	0	0	0	0	109.9	T51 V53 L101 L104 R106 D107 L108 N127 V161	T51-V111 WeakPolarHBondContact O-CA 3.43Å; V53-V111 HydrophobicContact CG2-CG1 4.28Å; L101-V111 HydrophobicContact CD1-CG1 4.17Å; L101-V111 HydrophobicContact CD2-CG1 4.43Å; L104-V111 HydrophobicContact CD1-CG1 4.15Å; R106-V111 HydrophobicContact CB-CG2 3.65Å; D107-V111 WeakPolarHBondContact O-CG2 3.45Å; D107-V111 PolarHBondContact O-N 3.19Å; L108-V111 PolarHBondContact O-N 3.2Å; V111-N127 PolarHBondContact O-ND2 3.37Å; V111-V161 WeakPolarHBondContact O-CG2 3.46Å
112	I	94.4	Very high	92.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124	173.4	-55.2	178.7	0	0	0	108.1	I50 T51 L52 V53 I114 L150 I153 V161 L165	I50-I112 HydrophobicContact CG2-CD1 4Å; I50-I112 HydrophobicContact CG2-CG1 4.09Å; T51-I112 PolarHBondContact O-N 2.8Å; L52-I112 WeakPolarHBondContact CA-O 3.37Å; L52-I112 HydrophobicContact CD1-CB 3.92Å; L52-I112 HydrophobicContact CD1-CG2 4Å; V53-I112 PolarHBondContact N-O 3.29Å; I112-I114 HydrophobicContact CG2-CG1 4.4Å; I112-L150 HydrophobicContact CD1-CD2 4.21Å; I112-L150 HydrophobicContact CG2-CD2 4.42Å; I112-I153 HydrophobicContact CD1-CD1 4.36Å; I112-I153 HydrophobicContact CD1-CG2 4.22Å; I112-V161 HydrophobicContact CD1-CB 4.25Å; I112-V161 HydrophobicContact CD1-CG1 4.13Å; I112-V161 HydrophobicContact CG1-CB 4.1Å; I112-V161 HydrophobicContact CG1-CG1 4.21Å; I112-V161 HydrophobicContact CG1-CG2 3.85Å; I112-L165 HydrophobicContact CG1-CD1 4.26Å; I112-L165 HydrophobicContact CG2-CD1 4.18Å; I112-L165 HydrophobicContact CG2-CD2 4.08Å
113	L	94.7	Very high	92.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.6	169.3	173	62.7	0	0	0	109.3	V53 K99 L101 D115 N127 T128 L129	V53-L113 HydrophobicContact CB-CB 4.49Å; V53-L113 HydrophobicContact CB-CD1 3.86Å; V53-L113 HydrophobicContact CG1-CD1 3.55Å; V53-L113 CarbonylContact O-C 3.5Å; V53-L113 WeakPolarHBondContact O-CA 3.43Å; K99-L113 HydrophobicContact CD-CD1 4Å; K99-L113 HydrophobicContact CD-CD2 4.3Å; L101-L113 HydrophobicContact CD1-CB 3.96Å; L101-L113 HydrophobicContact CD1-CD2 4.39Å; L101-L113 HydrophobicContact CD2-CB 4.21Å; L101-L113 HydrophobicContact CD2-CD2 4.23Å; L113-D115 HydrophobicContact CG-CB 4.33Å; L113-N127 PolarHBondContact N-O 3.35Å; L113-T128 HydrophobicContact CB-CG2 4.49Å; L113-T128 HydrophobicContact CD2-CG2 4.29Å; L113-T128 HydrophobicContact CG-CG2 4.2Å; L113-T128 CarbonylContact O-C 3.55Å; L113-T128 VanDerWaalsContact O-CA 3.27Å; L113-T128 WeakPolarHBondContact O-CA 3.44Å; L113-L129 PolarHBondContact O-N 3.12Å
114	I	93.7	Very high	92.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.6	170.3	-62.5	174.9	0	0	0	107.4	L52 V53 V54 E55 V59 I112 L129 V131 L146 L150	L52-I114 HydrophobicContact CD1-CD1 3.63Å; L52-I114 HydrophobicContact CD1-CG1 3.98Å; L52-I114 HydrophobicContact CD2-CD1 4.33Å; L52-I114 HydrophobicContact CG-CD1 4.35Å; V53-I114 PolarHBondContact O-N 3.14Å; V54-I114 HydrophobicContact CG1-CB 4.43Å; V54-I114 HydrophobicContact CG2-CD1 4.37Å; E55-I114 PolarHBondContact N-O 2.83Å; V59-I114 HydrophobicContact CG1-CG2 3.99Å; V59-I114 HydrophobicContact CG2-CG2 4.45Å; I112-I114 HydrophobicContact CG2-CG1 4.4Å; I114-L129 HydrophobicContact CG1-CB 4.46Å; I114-V131 HydrophobicContact CG2-CG1 4.11Å; I114-V131 HydrophobicContact CG2-CG2 3.93Å; I114-L146 HydrophobicContact CD1-CD1 4.04Å; I114-L146 HydrophobicContact CD1-CD2 4.04Å; I114-L146 HydrophobicContact CD1-CG 4.18Å; I114-L146 HydrophobicContact CG2-CD2 4.09Å; I114-L150 HydrophobicContact CD1-CD1 3.67Å; I114-L150 HydrophobicContact CD1-CD2 4.14Å; I114-L150 HydrophobicContact CD1-CG 4.37Å
115	D	93.5	Very high	93.2	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.7	179.5	-150.2	-49	0	0	0	109.3	E55 K99 L113 N117 A120 T128 L129 L130 V131	E55-D115 HydrophobicContact CB-CB 4.49Å; K99-D115 WeakPolarHBondContact CE-OD2 3.18Å; K99-D115 IonicContact NZ-OD2 3.68Å; K99-D115 PolarHBondContact NZ-OD2 3.24Å; L113-D115 HydrophobicContact CG-CB 4.33Å; D115-N117 PolarHBondContact OD1-N 3.32Å; D115-A120 VanDerWaalsContact OD2-CB 3.23Å; D115-A120 WeakPolarHBondContact OD2-CB 3.36Å; D115-T128 HydrophobicContact CB-CG2 4.38Å; D115-L129 PolarHBondContact N-O 3.34Å; D115-L130 VanDerWaalsContact O-CA 3.29Å; D115-L130 WeakPolarHBondContact O-CA 3.33Å; D115-V131 PolarHBondContact O-N 3.41Å
116	W	92.7	Very high	93.3	Very high	78 Å²	78	43.4 Å²	43.4	30%	0.295	22%	0.221	S	C	.	.	S	Bend	trans	-96.4	-20	170.6	65.6	-89.2	0	0	0	111.7	S57 P118 V131 K133	S57-W116 VanDerWaalsContact O-CD1 3.26Å; S57-W116 PolarHBondContact O-NE1 2.96Å; W116-P118 WeakPolarHBondContact O-CD 3.42Å; W116-V131 VanDerWaalsContact CA-O 3.24Å; W116-V131 WeakPolarHBondContact CA-O 3.23Å; W116-V131 WeakPolarHBondContact CB-O 3.23Å; W116-K133 HydrophobicContact CB-CB 4Å; W116-K133 HydrophobicContact CB-CG 4.48Å; W116-K133 HydrophobicContact CD2-CB 4Å; W116-K133 HydrophobicContact CD2-CD 3.94Å; W116-K133 HydrophobicContact CD2-CG 3.8Å; W116-K133 HydrophobicContact CE3-CB 3.95Å; W116-K133 HydrophobicContact CE3-CD 3.76Å; W116-K133 HydrophobicContact CE3-CG 3.99Å; W116-K133 HydrophobicContact CG-CB 4.03Å; W116-K133 HydrophobicContact CG-CG 4Å; W116-K133 HydrophobicContact CH2-CD 4.12Å; W116-K133 HydrophobicContact CZ2-CD 4.28Å; W116-K133 HydrophobicContact CZ3-CD 3.86Å
117	N	93	Very high	93.5	Very high	39 Å²	39	41.5 Å²	41.5	21%	0.209	21%	0.214	C	C	.	.			trans	-98.3	109.9	-175.7	-176.4	6.1	0	0	0	111.1	D115 K119 A120	D115-N117 PolarHBondContact OD1-N 3.32Å; N117-K119 PolarHBondContact O-N 2.97Å; N117-K119 VanDerWaalsContact OD1-CB 3.27Å; N117-K119 WeakPolarHBondContact OD1-CB 3.29Å; N117-K119 PolarHBondContact OD1-N 3.48Å; N117-A120 HydrophobicContact CB-CB 4.33Å; N117-A120 WeakPolarHBondContact O-CB 3.42Å; N117-A120 PolarHBondContact O-N 3.29Å
118	P	93.1	Very high	93.6	Very high	79 Å²	79	36.7 Å²	36.7	51%	0.513	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.3	177.4	26.5	-35.2	0	0	0	113.3	W116 A120 L130	W116-P118 WeakPolarHBondContact O-CD 3.42Å; P118-A120 VanDerWaalsContact C-N 3.34Å; P118-L130 HydrophobicContact CB-CD1 3.97Å; P118-L130 HydrophobicContact CB-CD2 4.28Å
119	K	93.4	Very high	93.6	Very high	98 Å²	98	34.7 Å²	34.7	43%	0.426	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.9	176.3	-59.9	-174.3	177.4	179.2	0	112.6	E96 N117 S121 Q122	E96-K119 HydrophobicContact CG-CD 4.02Å; E96-K119 WeakPolarHBondContact OE1-CD 3.36Å; E96-K119 IonicContact OE1-NZ 3.76Å; E96-K119 PolarHBondContact OE1-NZ 2.73Å; N117-K119 PolarHBondContact O-N 2.97Å; N117-K119 VanDerWaalsContact OD1-CB 3.27Å; N117-K119 WeakPolarHBondContact OD1-CB 3.29Å; N117-K119 PolarHBondContact OD1-N 3.48Å; K119-S121 VanDerWaalsContact C-N 3.28Å; K119-S121 PolarHBondContact O-N 2.85Å; K119-Q122 VanDerWaalsContact CA-NE2 3.32Å; K119-Q122 VanDerWaalsContact O-CG 3.29Å; K119-Q122 WeakPolarHBondContact O-CG 3.3Å; K119-Q122 PolarHBondContact O-NE2 3.14Å
120	A	91.6	Very high	93.6	Very high	8 Å²	8	37.2 Å²	37.2	7%	0.066	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-26.3	-177.8	0	0	0	0	0	112	V98 K99 D115 N117 P118	V98-A120 CarbonylContact C-O 3.51Å; V98-A120 WeakPolarHBondContact CA-O 3.33Å; V98-A120 WeakPolarHBondContact CG1-O 3.24Å; K99-A120 HydrophobicContact CD-CB 4.34Å; K99-A120 PolarHBondContact N-O 3.15Å; D115-A120 VanDerWaalsContact OD2-CB 3.23Å; D115-A120 WeakPolarHBondContact OD2-CB 3.36Å; N117-A120 HydrophobicContact CB-CB 4.33Å; N117-A120 WeakPolarHBondContact O-CB 3.42Å; N117-A120 PolarHBondContact O-N 3.29Å; P118-A120 VanDerWaalsContact C-N 3.34Å
121	S	91.7	Very high	93.6	Very high	5 Å²	5	35.5 Å²	35.5	4%	0.035	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	17.8	-175.9	59.1	0	0	0	0	115.1	K119 L123 Q124 T128	K119-S121 VanDerWaalsContact C-N 3.28Å; K119-S121 PolarHBondContact O-N 2.85Å; S121-L123 PolarHBondContact O-N 3.28Å; S121-Q124 CarbonylContact O-C 3.6Å; S121-Q124 PolarHBondContact O-N 3.25Å; S121-T128 WeakPolarHBondContact CB-OG1 3.49Å; S121-T128 PolarHBondContact OG-OG1 3.44Å
122	Q	92.4	Very high	93.4	Very high	91 Å²	91	38.3 Å²	38.3	43%	0.425	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-24.4	-173.7	-76.3	174.6	64.6	0	0	115.4	V98 K119	V98-Q122 HydrophobicContact CG1-CB 4.18Å; K119-Q122 VanDerWaalsContact CA-NE2 3.32Å; K119-Q122 VanDerWaalsContact O-CG 3.29Å; K119-Q122 WeakPolarHBondContact O-CG 3.3Å; K119-Q122 PolarHBondContact O-NE2 3.14Å
123	L	91.9	Very high	93.3	Very high	77 Å²	77	42.9 Å²	42.9	40%	0.403	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-23.9	-179.1	-68.7	172.2	0	0	0	113.8	V98 D100 S121	V98-L123 HydrophobicContact CG1-CB 4.3Å; V98-L123 HydrophobicContact CG1-CD1 3.84Å; V98-L123 HydrophobicContact CG1-CG 3.76Å; D100-L123 HydrophobicContact CB-CD1 3.68Å; S121-L123 PolarHBondContact O-N 3.28Å
124	Q	95	Very high	93	Very high	19 Å²	19	43.4 Å²	43.4	9%	0.089	22%	0.223	C	C	.	.			trans	-144.8	63.3	-179.9	-64.3	87.2	17	0	0	110.8	D100 L101 S121 E126 N127 T128	D100-Q124 PolarHBondContact OD1-NE2 3.03Å; L101-Q124 HydrophobicContact CB-CG 4.33Å; L101-Q124 HydrophobicContact CD1-CB 4Å; L101-Q124 HydrophobicContact CG-CB 4.42Å; S121-Q124 CarbonylContact O-C 3.6Å; S121-Q124 PolarHBondContact O-N 3.25Å; Q124-E126 PolarHBondContact O-N 2.9Å; Q124-N127 HydrophobicContact CB-CB 4.29Å; Q124-N127 PolarHBondContact O-N 3.47Å; Q124-T128 PolarHBondContact O-OG1 3.39Å
125	P	94.6	Very high	92.6	Very high	80 Å²	80	48.6 Å²	48.6	52%	0.519	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-60.9	-30.9	-179.5	25.8	-35.5	0	0	0	113	N127 T128	P125-N127 PolarHBondContact O-N 3.32Å; P125-T128 WeakPolarHBondContact O-CB 3.23Å; P125-T128 PolarHBondContact O-N 3.45Å
126	E	95.2	Very high	92.1	Very high	81 Å²	81	49.3 Å²	49.3	38%	0.379	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-65.9	-20.2	178.7	67.6	-86.3	-154.3	0	0	114	Q124 R162	Q124-E126 PolarHBondContact O-N 2.9Å; E126-R162 HydrophobicContact CG-CG 4.16Å
127	N	95.5	Very high	91.7	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-93.5	3.2	175.4	-77.9	102.5	0	0	0	112.6	L101 L108 V111 L113 Q124 P125 L165	L101-N127 HydrophobicContact CD1-CB 3.51Å; L108-N127 PolarHBondContact O-ND2 2.93Å; V111-N127 PolarHBondContact O-ND2 3.37Å; L113-N127 PolarHBondContact N-O 3.35Å; Q124-N127 HydrophobicContact CB-CB 4.29Å; Q124-N127 PolarHBondContact O-N 3.47Å; P125-N127 PolarHBondContact O-N 3.32Å; N127-L165 VanDerWaalsContact C-CD1 3.48Å; N127-L165 WeakPolarHBondContact O-CD1 3.3Å
128	T	94.7	Very high	91	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.025	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127	-171.9	-53.2	0	0	0	0	112.2	L113 D115 S121 Q124 P125 L130	L113-T128 HydrophobicContact CB-CG2 4.49Å; L113-T128 HydrophobicContact CD2-CG2 4.29Å; L113-T128 HydrophobicContact CG-CG2 4.2Å; L113-T128 CarbonylContact O-C 3.55Å; L113-T128 VanDerWaalsContact O-CA 3.27Å; L113-T128 WeakPolarHBondContact O-CA 3.44Å; D115-T128 HydrophobicContact CB-CG2 4.38Å; S121-T128 WeakPolarHBondContact CB-OG1 3.49Å; S121-T128 PolarHBondContact OG-OG1 3.44Å; Q124-T128 PolarHBondContact O-OG1 3.39Å; P125-T128 WeakPolarHBondContact O-CB 3.23Å; P125-T128 PolarHBondContact O-N 3.45Å; T128-L130 HydrophobicContact CG2-CD2 3.87Å; T128-L130 HydrophobicContact CG2-CG 4.09Å
129	L	93.7	Very high	90.4	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	101.2	164.1	-172.9	62.6	0	0	0	108.6	L113 I114 D115 V131 L146 L149 L165 P174	L113-L129 PolarHBondContact O-N 3.12Å; I114-L129 HydrophobicContact CG1-CB 4.46Å; D115-L129 PolarHBondContact N-O 3.34Å; L129-V131 HydrophobicContact CG-CG1 4.38Å; L129-V131 PolarHBondContact O-N 3.44Å; L129-L146 HydrophobicContact CD2-CD1 3.53Å; L129-L149 HydrophobicContact CD2-CD2 3.8Å; L129-L165 HydrophobicContact CB-CD2 4.11Å; L129-L165 HydrophobicContact CD1-CD2 4.41Å; L129-P174 HydrophobicContact CD1-CB 3.76Å; L129-P174 HydrophobicContact CD1-CG 3.83Å; L129-P174 HydrophobicContact CG-CG 4.41Å
130	L	94	Very high	90	Very high	67 Å²	67	46.9 Å²	46.9	35%	0.351	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.6	176.5	-70.6	173.4	0	0	0	110.3	D115 P118 T128 P174	D115-L130 VanDerWaalsContact O-CA 3.29Å; D115-L130 WeakPolarHBondContact O-CA 3.33Å; P118-L130 HydrophobicContact CB-CD1 3.97Å; P118-L130 HydrophobicContact CB-CD2 4.28Å; T128-L130 HydrophobicContact CG2-CD2 3.87Å; T128-L130 HydrophobicContact CG2-CG 4.09Å; L130-P174 WeakPolarHBondContact O-CD 3.29Å; L130-P174 WeakPolarHBondContact O-CG 3.3Å
131	V	92.1	Very high	89.7	Confident	13 Å²	13	49.7 Å²	49.7	8%	0.079	26%	0.264	C	S	.	.			trans	-108.1	150.4	177.1	-62.8	0	0	0	0	110.5	V59 I114 D115 W116 L129 K133 L146 V175	V59-V131 HydrophobicContact CG1-CG2 4.21Å; V59-V131 HydrophobicContact CG2-CG2 3.9Å; I114-V131 HydrophobicContact CG2-CG1 4.11Å; I114-V131 HydrophobicContact CG2-CG2 3.93Å; D115-V131 PolarHBondContact O-N 3.41Å; W116-V131 VanDerWaalsContact CA-O 3.24Å; W116-V131 WeakPolarHBondContact CA-O 3.23Å; W116-V131 WeakPolarHBondContact CB-O 3.23Å; L129-V131 HydrophobicContact CG-CG1 4.38Å; L129-V131 PolarHBondContact O-N 3.44Å; V131-K133 PolarHBondContact O-N 3.17Å; V131-L146 HydrophobicContact CG1-CD1 4.3Å; V131-L146 HydrophobicContact CG1-CD2 4.27Å; V131-V175 HydrophobicContact CG1-CG2 4Å
132	P	90.9	Very high	89.4	Confident	59 Å²	59	51.3 Å²	51.3	38%	0.383	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-55.4	139.1	171	-23.8	33.7	0	0	0	110.8	W134 N173	P132-W134 PolarHBondContact O-N 2.81Å; P132-N173 HydrophobicContact CG-CB 4.43Å
133	K	91.5	Very high	89.1	Confident	97 Å²	97	47.3 Å²	47.3	42%	0.422	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-63	125.6	174.8	-172.4	-177.2	-176	-175.2	0	109.1	W116 V131 D135	W116-K133 HydrophobicContact CB-CB 4Å; W116-K133 HydrophobicContact CB-CG 4.48Å; W116-K133 HydrophobicContact CD2-CB 4Å; W116-K133 HydrophobicContact CD2-CD 3.94Å; W116-K133 HydrophobicContact CD2-CG 3.8Å; W116-K133 HydrophobicContact CE3-CB 3.95Å; W116-K133 HydrophobicContact CE3-CD 3.76Å; W116-K133 HydrophobicContact CE3-CG 3.99Å; W116-K133 HydrophobicContact CG-CB 4.03Å; W116-K133 HydrophobicContact CG-CG 4Å; W116-K133 HydrophobicContact CH2-CD 4.12Å; W116-K133 HydrophobicContact CZ2-CD 4.28Å; W116-K133 HydrophobicContact CZ3-CD 3.86Å; V131-K133 PolarHBondContact O-N 3.17Å; K133-D135 PolarHBondContact O-N 3.14Å
134	W	88.7	Confident	88.7	Confident	11 Å²	11	46.9 Å²	46.9	4%	0.042	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-65.5	128.5	176	-173.5	52.8	0	0	0	110.3	G58 H62 P132 G136 N137 D140 V245 R248	G58-W134 WeakPolarHBondContact O-CB 3.47Å; G58-W134 PolarHBondContact O-N 3.38Å; H62-W134 HydrophobicContact CB-CE3 4.41Å; H62-W134 HydrophobicContact CB-CZ3 4.1Å; P132-W134 PolarHBondContact O-N 2.81Å; W134-G136 VanDerWaalsContact CE2-CA 3.49Å; W134-N137 PolarHBondContact NE1-O 3Å; W134-D140 PolarHBondContact NE1-OD1 3.35Å; W134-V245 HydrophobicContact CH2-CG2 4.33Å; W134-R248 HydrophobicContact CH2-CB 3.9Å; W134-R248 HydrophobicContact CH2-CG 3.93Å; W134-R248 HydrophobicContact CZ2-CB 4.07Å; W134-R248 HydrophobicContact CZ2-CG 4.03Å; W134-R248 HydrophobicContact CZ3-CG 4.19Å
135	D	85.6	Confident	88.4	Confident	112 Å²	112	46.1 Å²	46.1	60%	0.599	25%	0.251	S	S	*	.			trans	-95.3	0.1	-177	62.8	-8.3	0	0	0	113	K133 N137	K133-D135 PolarHBondContact O-N 3.14Å; D135-N137 WeakPolarHBondContact OD1-CB 3.38Å; D135-N137 PolarHBondContact OD1-N 3.43Å
136	G	82.2	Confident	88.1	Confident	16 Å²	16	42.7 Å²	42.7	17%	0.165	23%	0.228	C	C	.	.	S	Bend	trans	90.5	2.3	-175.1	0	0	0	0	0	114.1	W134 N138	W134-G136 VanDerWaalsContact CE2-CA 3.49Å; G136-N138 PolarHBondContact O-OD1 2.94Å
137	N	85	Confident	87.6	Confident	67 Å²	67	39.2 Å²	39.2	36%	0.358	21%	0.213	S	C	.	.			trans	-66.2	134.2	177.7	-177.2	4.8	0	0	0	111.5	W134 D135 H139	W134-N137 PolarHBondContact NE1-O 3Å; D135-N137 WeakPolarHBondContact OD1-CB 3.38Å; D135-N137 PolarHBondContact OD1-N 3.43Å; N137-H139 PolarHBondContact OD1-N 2.96Å; N137-H139 PolarHBondContact OD1-ND1 3.18Å
138	N	77.7	Confident	87.2	Confident	21 Å²	21	40.4 Å²	40.4	11%	0.112	22%	0.223	C	C	.	.	S	Bend	trans	-89.5	-18.4	-179	-66.1	-18.1	0	0	0	115.1	G136 S244 K247	G136-N138 PolarHBondContact O-OD1 2.94Å; N138-S244 WeakPolarHBondContact ND2-CA 3.25Å; N138-S244 VanDerWaalsContact ND2-CB 3.34Å; N138-S244 WeakPolarHBondContact ND2-CB 3.49Å; N138-S244 PolarHBondContact ND2-N 2.77Å; N138-S244 PolarHBondContact ND2-OG 2.95Å; N138-S244 WeakPolarHBondContact OD1-CA 3.29Å; N138-S244 WeakPolarHBondContact OD1-CB 3.39Å; N138-S244 PolarHBondContact OD1-OG 3.15Å; N138-K247 HydrophobicContact CB-CD 4.34Å; N138-K247 VanDerWaalsContact O-CD 3.32Å; N138-K247 WeakPolarHBondContact O-CD 3.34Å; N138-K247 VanDerWaalsContact O-CE 3.3Å; N138-K247 WeakPolarHBondContact O-CE 3.25Å; N138-K247 PolarHBondContact O-NZ 2.91Å
139	H	81.3	Confident	86.9	Confident	125 Å²	125	40.3 Å²	40.3	58%	0.579	22%	0.222	S	C	*	.	S	Bend	trans	-83.8	-6.3	-178.1	-57.1	90.4	0	0	0	110.9	N137	N137-H139 PolarHBondContact OD1-N 2.96Å; N137-H139 PolarHBondContact OD1-ND1 3.18Å
140	D	84.4	Confident	86.6	Confident	31 Å²	31	40.5 Å²	40.5	17%	0.166	22%	0.223	C	C	.	.			trans	-68.7	145.3	175.8	100.9	-82.2	0	0	0	110.9	W134 D142 R248	W134-D140 PolarHBondContact NE1-OD1 3.35Å; D140-D142 WeakPolarHBondContact OD2-CB 3.36Å; D140-D142 PolarHBondContact OD2-N 2.81Å; D140-D142 VanDerWaalsContact OD2-N 3.08Å; D140-R248 IonicContact OD1-CZ 3.86Å; D140-R248 IonicContact OD1-NH1 3.28Å; D140-R248 PolarHBondContact OD1-NH1 3.21Å; D140-R248 IonicContact OD2-CZ 3.09Å; D140-R248 IonicContact OD2-NH1 3.84Å; D140-R248 PolarHBondContact OD2-NH1 3.13Å
141	T	84.5	Confident	86.1	Confident	66 Å²	66	39.4 Å²	39.4	41%	0.405	22%	0.219	S	C	.	.			trans	-120.2	16.3	175.7	67.8	0	0	0	0	111.1	L143 V144 D145 R179	T141-L143 VanDerWaalsContact C-N 3.32Å; T141-L143 PolarHBondContact O-N 3.39Å; T141-V144 PolarHBondContact O-N 3.48Å; T141-D145 PolarHBondContact O-N 2.91Å; T141-D145 PolarHBondContact OG1-OD2 3Å; T141-R179 PolarHBondContact OG1-NH2 2.94Å; T141-R179 VanDerWaalsContact OG1-NH2 3.14Å
142	D	86.9	Confident	85.8	Confident	40 Å²	40	40.3 Å²	40.3	21%	0.214	23%	0.228	C	C	.	.	H	α-helix	trans	-65	-38.9	-167.6	-70.4	-6.2	0	0	0	110.9	D140 V144 D145 L146 V175 R179	D140-D142 WeakPolarHBondContact OD2-CB 3.36Å; D140-D142 PolarHBondContact OD2-N 2.81Å; D140-D142 VanDerWaalsContact OD2-N 3.08Å; D142-V144 VanDerWaalsContact C-N 3.33Å; D142-V144 PolarHBondContact O-N 2.73Å; D142-D145 PolarHBondContact O-N 3.04Å; D142-L146 WeakPolarHBondContact O-CB 3.28Å; D142-L146 PolarHBondContact O-N 3.42Å; D142-V175 HydrophobicContact CB-CG1 4.06Å; D142-V175 VanDerWaalsContact O-CG1 3.26Å; D142-V175 WeakPolarHBondContact O-CG1 3.4Å; D142-R179 IonicContact OD1-CZ 3.64Å; D142-R179 IonicContact OD1-NH1 2.95Å; D142-R179 IonicContact OD1-NH2 3.87Å; D142-R179 PolarHBondContact OD1-NH2 2.88Å
143	L	85.3	Confident	85.6	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-38.2	174	-90.4	-168	0	0	0	113.7	V59 L60 T141 L146 A147 R248 I255	V59-L143 HydrophobicContact CG1-CD2 4.26Å; L60-L143 HydrophobicContact CD2-CD1 4.02Å; L60-L143 HydrophobicContact CD2-CD2 4.08Å; T141-L143 VanDerWaalsContact C-N 3.32Å; T141-L143 PolarHBondContact O-N 3.39Å; L143-L146 HydrophobicContact CD2-CD2 4.03Å; L143-L146 PolarHBondContact O-N 3.04Å; L143-A147 PolarHBondContact O-N 3.38Å; L143-R248 VanDerWaalsContact CD1-CD 3.46Å; L143-R248 HydrophobicContact CD1-CG 3.83Å; L143-I255 HydrophobicContact CB-CD1 3.56Å; L143-I255 HydrophobicContact CD1-CD1 3.83Å; L143-I255 HydrophobicContact CD2-CD1 3.96Å; L143-I255 HydrophobicContact CG-CD1 3.94Å
144	V	84.5	Confident	85.3	Confident	68 Å²	68	33.8 Å²	33.8	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-70	-40.5	179.1	179.5	0	0	0	0	110.6	T141 D142 A148 T251	T141-V144 PolarHBondContact O-N 3.48Å; D142-V144 VanDerWaalsContact C-N 3.33Å; D142-V144 PolarHBondContact O-N 2.73Å; V144-A148 PolarHBondContact O-N 2.95Å; V144-A148 VanDerWaalsContact O-N 3.15Å; V144-T251 HydrophobicContact CG2-CG2 3.88Å
145	D	86.9	Confident	85	Confident	4 Å²	4	36 Å²	36	2%	0.021	22%	0.217	C	C	.	.	H	α-helix	trans	-66.7	-39.3	174.4	-72.1	-71.2	0	0	0	111.9	T141 D142 A148 L149 V175 F178 R179 R182	T141-D145 PolarHBondContact O-N 2.91Å; T141-D145 PolarHBondContact OG1-OD2 3Å; D142-D145 PolarHBondContact O-N 3.04Å; D145-A148 PolarHBondContact O-N 3.33Å; D145-L149 PolarHBondContact O-N 3.48Å; D145-V175 HydrophobicContact CB-CG1 3.46Å; D145-V175 VanDerWaalsContact CB-CG1 3.46Å; D145-F178 WeakPolarHBondContact O-CD1 3.45Å; D145-F178 WeakPolarHBondContact O-CE1 3.49Å; D145-R179 VanDerWaalsContact CG-NE 3.31Å; D145-R179 WeakPolarHBondContact OD1-CG 2.98Å; D145-R179 IonicContact OD1-NE 3.13Å; D145-R179 IonicContact OD2-CZ 3.66Å; D145-R179 IonicContact OD2-NE 3.74Å; D145-R179 PolarHBondContact OD2-NE 3.03Å; D145-R179 IonicContact OD2-NH2 2.69Å; D145-R179 PolarHBondContact OD2-NH2 2.95Å; D145-R182 IonicContact OD1-CZ 2.7Å; D145-R182 IonicContact OD1-NE 3.56Å; D145-R182 IonicContact OD1-NH2 2.73Å; D145-R182 PolarHBondContact OD1-NH2 3.43Å
146	L	88.8	Confident	84.8	Confident	8 Å²	8	32 Å²	32	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-45.9	175.2	-178.7	60.5	0	0	0	111.8	I114 L129 V131 D142 L143 A148 L149 L150 V175	I114-L146 HydrophobicContact CD1-CD1 4.04Å; I114-L146 HydrophobicContact CD1-CD2 4.04Å; I114-L146 HydrophobicContact CD1-CG 4.18Å; I114-L146 HydrophobicContact CG2-CD2 4.09Å; L129-L146 HydrophobicContact CD2-CD1 3.53Å; V131-L146 HydrophobicContact CG1-CD1 4.3Å; V131-L146 HydrophobicContact CG1-CD2 4.27Å; D142-L146 WeakPolarHBondContact O-CB 3.28Å; D142-L146 PolarHBondContact O-N 3.42Å; L143-L146 HydrophobicContact CD2-CD2 4.03Å; L143-L146 PolarHBondContact O-N 3.04Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.28Å; L146-L149 WeakPolarHBondContact O-CB 3.37Å; L146-L149 PolarHBondContact O-N 2.76Å; L146-L149 VanDerWaalsContact O-N 3.16Å; L146-L150 HydrophobicContact CG-CD1 4.26Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.39Å; L146-L150 PolarHBondContact O-N 2.72Å; L146-V175 HydrophobicContact CB-CG2 4.22Å; L146-V175 HydrophobicContact CD1-CG2 4.12Å
147	A	86.2	Confident	84.7	Confident	8 Å²	8	37.7 Å²	37.7	7%	0.066	23%	0.229	C	C	.	.	H	α-helix	trans	-52.8	-49.5	171.9	0	0	0	0	0	111	L143 L149 L150 T151 I255	L143-A147 PolarHBondContact O-N 3.38Å; A147-L149 VanDerWaalsContact C-N 3.3Å; A147-L149 PolarHBondContact O-N 3.27Å; A147-L150 PolarHBondContact O-N 2.9Å; A147-T151 WeakPolarHBondContact O-CB 3.41Å; A147-T151 PolarHBondContact O-N 3.27Å; A147-T151 PolarHBondContact O-OG1 2.92Å; A147-I255 HydrophobicContact CB-CB 4.12Å; A147-I255 HydrophobicContact CB-CG1 3.52Å; A147-I255 HydrophobicContact CB-CG2 4.08Å
148	A	86	Confident	84.7	Confident	24 Å²	24	36.1 Å²	36.1	20%	0.198	22%	0.221	C	C	.	.	H	α-helix	trans	-66.6	-32.1	-177.8	0	0	0	0	0	113	V144 D145 L146 A152 F178	V144-A148 PolarHBondContact O-N 2.95Å; V144-A148 VanDerWaalsContact O-N 3.15Å; D145-A148 PolarHBondContact O-N 3.33Å; L146-A148 VanDerWaalsContact C-N 3.28Å; L146-A148 PolarHBondContact O-N 3.28Å; A148-A152 VanDerWaalsContact O-CB 3.27Å; A148-A152 WeakPolarHBondContact O-CB 3.08Å; A148-A152 PolarHBondContact O-N 3.3Å; A148-F178 HydrophobicContact CB-CE1 3.92Å; A148-F178 HydrophobicContact CB-CZ 4.42Å
149	L	87.8	Confident	85.3	Confident	3 Å²	3	39 Å²	39	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-50	170.8	172.7	61.8	0	0	0	110.4	L129 D145 L146 A147 A152 I153 Y168 F178	L129-L149 HydrophobicContact CD2-CD2 3.8Å; D145-L149 PolarHBondContact O-N 3.48Å; L146-L149 WeakPolarHBondContact O-CB 3.37Å; L146-L149 PolarHBondContact O-N 2.76Å; L146-L149 VanDerWaalsContact O-N 3.16Å; A147-L149 VanDerWaalsContact C-N 3.3Å; A147-L149 PolarHBondContact O-N 3.27Å; L149-A152 WeakPolarHBondContact O-CB 3.27Å; L149-A152 PolarHBondContact O-N 3.23Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L149-I153 HydrophobicContact CD1-CD1 4.02Å; L149-I153 HydrophobicContact CD1-CG1 4.32Å; L149-I153 HydrophobicContact CG-CD1 4.08Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.23Å; L149-Y168 HydrophobicContact CD1-CD2 4.4Å; L149-Y168 HydrophobicContact CD1-CE2 3.7Å; L149-F178 VanDerWaalsContact CA-CZ 3.47Å; L149-F178 HydrophobicContact CB-CD1 3.76Å; L149-F178 HydrophobicContact CB-CD2 4.11Å; L149-F178 HydrophobicContact CB-CE1 3.82Å; L149-F178 HydrophobicContact CB-CE2 4.15Å; L149-F178 HydrophobicContact CB-CG 3.9Å; L149-F178 HydrophobicContact CB-CZ 4Å; L149-F178 HydrophobicContact CD1-CB 4.49Å; L149-F178 HydrophobicContact CD1-CD2 3.5Å; L149-F178 VanDerWaalsContact CD1-CD2 3.5Å; L149-F178 HydrophobicContact CD1-CE2 3.76Å; L149-F178 HydrophobicContact CD1-CG 3.97Å; L149-F178 HydrophobicContact CD1-CZ 4.45Å; L149-F178 HydrophobicContact CG-CD2 4.32Å; L149-F178 HydrophobicContact CG-CG 4.35Å; L149-F178 VanDerWaalsContact N-CE1 3.31Å
150	L	88.1	Confident	85.9	Confident	5 Å²	5	35.1 Å²	35.1	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-44.2	-179.7	-65.8	168.4	0	0	0	112.2	L52 I112 I114 L146 A147 A152 I153 A154 L259 I262	L52-L150 HydrophobicContact CD1-CD1 4.21Å; L52-L150 HydrophobicContact CD1-CD2 3.82Å; L52-L150 HydrophobicContact CD2-CD1 3.74Å; I112-L150 HydrophobicContact CD1-CD2 4.21Å; I112-L150 HydrophobicContact CG2-CD2 4.42Å; I114-L150 HydrophobicContact CD1-CD1 3.67Å; I114-L150 HydrophobicContact CD1-CD2 4.14Å; I114-L150 HydrophobicContact CD1-CG 4.37Å; L146-L150 HydrophobicContact CG-CD1 4.26Å; L146-L150 VanDerWaalsContact O-CG 3.3Å; L146-L150 WeakPolarHBondContact O-CG 3.39Å; L146-L150 PolarHBondContact O-N 2.72Å; A147-L150 PolarHBondContact O-N 2.9Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 2.9Å; L150-I153 PolarHBondContact O-N 3.03Å; L150-A154 WeakPolarHBondContact O-CB 3.46Å; L150-A154 PolarHBondContact O-N 3.37Å; L150-L259 HydrophobicContact CB-CD2 3.96Å; L150-L259 HydrophobicContact CD1-CD1 3.97Å; L150-I262 HydrophobicContact CB-CD1 3.92Å
151	T	84.5	Confident	86.3	Confident	44 Å²	44	33.7 Å²	33.7	27%	0.27	22%	0.224	S	C	.	.	H	α-helix	trans	-59.8	-39.6	173.3	-56.8	0	0	0	0	111.2	A147 A154 A155	A147-T151 WeakPolarHBondContact O-CB 3.41Å; A147-T151 PolarHBondContact O-N 3.27Å; A147-T151 PolarHBondContact O-OG1 2.92Å; T151-A154 PolarHBondContact O-N 2.83Å; T151-A155 VanDerWaalsContact O-CB 3.23Å; T151-A155 WeakPolarHBondContact O-CB 3.49Å; T151-A155 PolarHBondContact O-N 2.72Å
152	A	84.9	Confident	86.7	Confident	32 Å²	32	34.6 Å²	34.6	26%	0.264	22%	0.22	S	C	.	.	H	α-helix	trans	-67.4	-37.1	176.9	0	0	0	0	0	112.7	A148 L149 L150 G156	A148-A152 VanDerWaalsContact O-CB 3.27Å; A148-A152 WeakPolarHBondContact O-CB 3.08Å; A148-A152 PolarHBondContact O-N 3.3Å; L149-A152 WeakPolarHBondContact O-CB 3.27Å; L149-A152 PolarHBondContact O-N 3.23Å; L149-A152 VanDerWaalsContact O-N 3.15Å; L150-A152 VanDerWaalsContact C-N 3.28Å; L150-A152 PolarHBondContact O-N 2.9Å; A152-G156 PolarHBondContact O-N 3.26Å; A152-G156 VanDerWaalsContact O-N 3.13Å
153	I	87	Confident	87	Confident	7 Å²	7	36.3 Å²	36.3	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-66.7	-47.7	174.5	-65.4	168.1	0	0	0	110.1	I50 I112 L149 L150 A155 G156 V158 V161 I164	I50-I153 HydrophobicContact CD1-CG2 3.81Å; I112-I153 HydrophobicContact CD1-CD1 4.36Å; I112-I153 HydrophobicContact CD1-CG2 4.22Å; L149-I153 HydrophobicContact CD1-CD1 4.02Å; L149-I153 HydrophobicContact CD1-CG1 4.32Å; L149-I153 HydrophobicContact CG-CD1 4.08Å; L149-I153 WeakPolarHBondContact O-CG1 3.46Å; L149-I153 PolarHBondContact O-N 3.23Å; L150-I153 PolarHBondContact O-N 3.03Å; I153-A155 PolarHBondContact O-N 2.81Å; I153-G156 PolarHBondContact O-N 3.15Å; I153-G156 VanDerWaalsContact O-N 3.14Å; I153-V158 HydrophobicContact CG2-CG2 4.37Å; I153-V161 HydrophobicContact CG2-CG1 4.15Å; I153-I164 HydrophobicContact CD1-CG2 4.1Å; I153-I164 HydrophobicContact CG1-CG2 4.26Å
154	A	84.5	Confident	87.3	Confident	12 Å²	12	38.2 Å²	38.2	10%	0.099	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-42.3	178.8	0	0	0	0	0	112.3	I50 L150 T151 G156 I262	I50-A154 HydrophobicContact CD1-CB 4.27Å; L150-A154 WeakPolarHBondContact O-CB 3.46Å; L150-A154 PolarHBondContact O-N 3.37Å; T151-A154 PolarHBondContact O-N 2.83Å; A154-G156 VanDerWaalsContact C-N 3.25Å; A154-G156 PolarHBondContact O-N 3.11Å; A154-I262 HydrophobicContact CB-CD1 4.2Å; A154-I262 HydrophobicContact CB-CG1 4.22Å
155	A	82.6	Confident	87.7	Confident	57 Å²	57	35 Å²	35	47%	0.471	22%	0.224	S	C	.	.	H	α-helix	trans	-73.7	-13.8	177.1	0	0	0	0	0	114	T151 I153 D157	T151-A155 VanDerWaalsContact O-CB 3.23Å; T151-A155 WeakPolarHBondContact O-CB 3.49Å; T151-A155 PolarHBondContact O-N 2.72Å; I153-A155 PolarHBondContact O-N 2.81Å; A155-D157 VanDerWaalsContact C-N 3.3Å
156	G	81.9	Confident	87.9	Confident	29 Å²	29	41 Å²	41	30%	0.299	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8.2	179.5	0	0	0	0	0	114.8	A152 I153 A154 V158	A152-G156 PolarHBondContact O-N 3.26Å; A152-G156 VanDerWaalsContact O-N 3.13Å; I153-G156 PolarHBondContact O-N 3.15Å; I153-G156 VanDerWaalsContact O-N 3.14Å; A154-G156 VanDerWaalsContact C-N 3.25Å; A154-G156 PolarHBondContact O-N 3.11Å; G156-V158 PolarHBondContact O-N 3.26Å
157	D	78.9	Confident	88	Confident	135 Å²	135	44 Å²	44	72%	0.722	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	46	-171.1	-165.2	25.9	0	0	0	112.6	A155 A159	A155-D157 VanDerWaalsContact C-N 3.3Å; D157-A159 PolarHBondContact O-N 3Å
158	V	85.8	Confident	88.2	Confident	33 Å²	33	44.5 Å²	44.5	20%	0.2	26%	0.263	C	S	.	.			trans	-69.4	121.5	-174.3	-176	0	0	0	0	109.1	K110 I153 G156 D160 I164	K110-V158 PolarHBondContact NZ-O 3.06Å; I153-V158 HydrophobicContact CG2-CG2 4.37Å; G156-V158 PolarHBondContact O-N 3.26Å; V158-D160 VanDerWaalsContact C-N 3.33Å; V158-D160 WeakPolarHBondContact CG1-O 3.23Å; V158-D160 PolarHBondContact O-N 2.99Å; V158-I164 HydrophobicContact CB-CD1 4.17Å; V158-I164 HydrophobicContact CG1-CD1 3.6Å; V158-I164 HydrophobicContact CG1-CG1 4.44Å; V158-I164 HydrophobicContact CG2-CD1 3.59Å
159	A	90.2	Very high	88.2	Confident	81 Å²	81	46.6 Å²	46.6	67%	0.669	28%	0.276	S	S	*	.	S	Bend	trans	-59.6	-40.7	179.7	0	0	0	0	0	113	K110 D157	K110-A159 VanDerWaalsContact CE-O 3.23Å; K110-A159 WeakPolarHBondContact CE-O 3.47Å; D157-A159 PolarHBondContact O-N 3Å
160	D	93.1	Very high	88.2	Confident	45 Å²	45	51.3 Å²	51.3	24%	0.241	31%	0.306	C	S	.	.			trans	-137.9	123.6	177.8	-171.5	-16.3	0	0	0	110.2	S109 V158 R162 P163	S109-D160 WeakPolarHBondContact O-CA 3.27Å; V158-D160 VanDerWaalsContact C-N 3.33Å; V158-D160 WeakPolarHBondContact CG1-O 3.23Å; V158-D160 PolarHBondContact O-N 2.99Å; D160-R162 WeakPolarHBondContact OD1-CB 3.31Å; D160-R162 WeakPolarHBondContact OD1-CG 3.31Å; D160-R162 IonicContact OD1-CZ 2.72Å; D160-R162 PolarHBondContact OD1-N 3.45Å; D160-R162 IonicContact OD1-NE 2.61Å; D160-R162 PolarHBondContact OD1-NE 2.78Å; D160-R162 IonicContact OD1-NH2 2.69Å; D160-R162 IonicContact OD2-CZ 2.6Å; D160-R162 VanDerWaalsContact OD2-CZ 3.28Å; D160-R162 IonicContact OD2-NE 3.93Å; D160-R162 PolarHBondContact OD2-NE 3.14Å; D160-R162 VanDerWaalsContact OD2-NE 3.09Å; D160-R162 IonicContact OD2-NH2 3.53Å; D160-R162 PolarHBondContact OD2-NH2 3Å; D160-P163 WeakPolarHBondContact O-CD 2.98Å
161	V	92.8	Very high	88.3	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	32%	0.317	C	S	.	.	S	Bend	trans	-75.4	-23.3	-177.4	-59.2	0	0	0	0	113.2	I50 S109 V111 I112 I153 I164 L165	I50-V161 HydrophobicContact CD1-CG1 4.14Å; S109-V161 WeakPolarHBondContact O-CG2 3.43Å; S109-V161 PolarHBondContact O-N 3.05Å; V111-V161 WeakPolarHBondContact O-CG2 3.46Å; I112-V161 HydrophobicContact CD1-CB 4.25Å; I112-V161 HydrophobicContact CD1-CG1 4.13Å; I112-V161 HydrophobicContact CG1-CB 4.1Å; I112-V161 HydrophobicContact CG1-CG1 4.21Å; I112-V161 HydrophobicContact CG1-CG2 3.85Å; I153-V161 HydrophobicContact CG2-CG1 4.15Å; V161-I164 WeakPolarHBondContact O-CB 3.46Å; V161-I164 PolarHBondContact O-N 3.46Å; V161-L165 HydrophobicContact CG2-CD1 4.16Å; V161-L165 WeakPolarHBondContact O-CG 3.45Å; V161-L165 PolarHBondContact O-N 2.87Å; V161-L165 VanDerWaalsContact O-N 3.11Å
162	R	94.8	Very high	88.4	Confident	85 Å²	85	60 Å²	60	32%	0.321	35%	0.349	S	S	.	.	H	α-helix	trans	-59.8	-42.3	-170.2	-64.3	173.1	-70.2	-179.4	0.4	114.2	E126 D160 I164 L165 E166	E126-R162 HydrophobicContact CG-CG 4.16Å; D160-R162 WeakPolarHBondContact OD1-CB 3.31Å; D160-R162 WeakPolarHBondContact OD1-CG 3.31Å; D160-R162 IonicContact OD1-CZ 2.72Å; D160-R162 PolarHBondContact OD1-N 3.45Å; D160-R162 IonicContact OD1-NE 2.61Å; D160-R162 PolarHBondContact OD1-NE 2.78Å; D160-R162 IonicContact OD1-NH2 2.69Å; D160-R162 IonicContact OD2-CZ 2.6Å; D160-R162 VanDerWaalsContact OD2-CZ 3.28Å; D160-R162 IonicContact OD2-NE 3.93Å; D160-R162 PolarHBondContact OD2-NE 3.14Å; D160-R162 VanDerWaalsContact OD2-NE 3.09Å; D160-R162 IonicContact OD2-NH2 3.53Å; D160-R162 PolarHBondContact OD2-NH2 3Å; R162-I164 PolarHBondContact O-N 3.27Å; R162-L165 PolarHBondContact O-N 2.73Å; R162-L165 VanDerWaalsContact O-N 3.15Å; R162-E166 WeakPolarHBondContact O-CB 3.33Å; R162-E166 PolarHBondContact O-N 2.96Å
163	P	93.3	Very high	88.6	Confident	75 Å²	75	59.7 Å²	59.7	49%	0.487	34%	0.343	S	S	.	.	H	α-helix	trans	-62.2	-30.5	176.4	-23.7	35.2	0	0	0	113.6	D160 Y167	D160-P163 WeakPolarHBondContact O-CD 2.98Å; P163-Y167 WeakPolarHBondContact O-CB 3.49Å; P163-Y167 PolarHBondContact O-N 2.72Å; P163-Y167 VanDerWaalsContact O-N 3.12Å
164	I	91	Very high	88.7	Confident	46 Å²	46	59.5 Å²	59.5	24%	0.236	34%	0.342	C	S	.	.	H	α-helix	trans	-72.6	-43.7	176.2	-59.3	179.4	0	0	0	109.6	I153 V158 V161 R162 Y167 Y168	I153-I164 HydrophobicContact CD1-CG2 4.1Å; I153-I164 HydrophobicContact CG1-CG2 4.26Å; V158-I164 HydrophobicContact CB-CD1 4.17Å; V158-I164 HydrophobicContact CG1-CD1 3.6Å; V158-I164 HydrophobicContact CG1-CG1 4.44Å; V158-I164 HydrophobicContact CG2-CD1 3.59Å; V161-I164 WeakPolarHBondContact O-CB 3.46Å; V161-I164 PolarHBondContact O-N 3.46Å; R162-I164 PolarHBondContact O-N 3.27Å; I164-Y167 WeakPolarHBondContact O-CB 3.39Å; I164-Y167 PolarHBondContact O-N 3.44Å; I164-Y168 HydrophobicContact CG2-CD2 3.85Å; I164-Y168 HydrophobicContact CG2-CE2 3.71Å; I164-Y168 WeakPolarHBondContact O-CD2 3.49Å; I164-Y168 PolarHBondContact O-N 3.19Å; I164-Y168 VanDerWaalsContact O-N 3.14Å
165	L	92.2	Very high	88.8	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-65.2	-43.5	178.1	-61.8	-177.6	0	0	0	111.7	I112 N127 L129 V161 R162 Y167 Y168 S169	I112-L165 HydrophobicContact CG1-CD1 4.26Å; I112-L165 HydrophobicContact CG2-CD1 4.18Å; I112-L165 HydrophobicContact CG2-CD2 4.08Å; N127-L165 VanDerWaalsContact C-CD1 3.48Å; N127-L165 WeakPolarHBondContact O-CD1 3.3Å; L129-L165 HydrophobicContact CB-CD2 4.11Å; L129-L165 HydrophobicContact CD1-CD2 4.41Å; V161-L165 HydrophobicContact CG2-CD1 4.16Å; V161-L165 WeakPolarHBondContact O-CG 3.45Å; V161-L165 PolarHBondContact O-N 2.87Å; V161-L165 VanDerWaalsContact O-N 3.11Å; R162-L165 PolarHBondContact O-N 2.73Å; R162-L165 VanDerWaalsContact O-N 3.15Å; L165-Y167 VanDerWaalsContact C-N 3.3Å; L165-Y167 PolarHBondContact O-N 3.36Å; L165-Y168 PolarHBondContact O-N 2.86Å; L165-Y168 VanDerWaalsContact O-N 3.17Å; L165-S169 WeakPolarHBondContact O-CB 3.46Å; L165-S169 PolarHBondContact O-N 3.27Å; L165-S169 PolarHBondContact O-OG 2.91Å
166	E	92	Very high	89.2	Confident	130 Å²	130	59.9 Å²	59.9	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-58.2	-42.6	174.1	-175.6	177.5	-162.9	0	0	111.4	R162 Y168 S169 T170	R162-E166 WeakPolarHBondContact O-CB 3.33Å; R162-E166 PolarHBondContact O-N 2.96Å; E166-Y168 PolarHBondContact O-N 2.76Å; E166-S169 WeakPolarHBondContact CA-OG 3.43Å; E166-S169 PolarHBondContact O-N 2.89Å; E166-S169 PolarHBondContact O-OG 3.48Å; E166-T170 WeakPolarHBondContact O-CG2 3.47Å; E166-T170 PolarHBondContact O-N 3.28Å
167	Y	90.6	Very high	89.5	Confident	70 Å²	70	60.9 Å²	60.9	28%	0.275	33%	0.33	S	S	.	.	H	α-helix	trans	-58.1	-48.3	174.9	177.6	-84.3	0	0	0	111.9	P163 I164 L165 T170 M171 K181 E213	P163-Y167 WeakPolarHBondContact O-CB 3.49Å; P163-Y167 PolarHBondContact O-N 2.72Å; P163-Y167 VanDerWaalsContact O-N 3.12Å; I164-Y167 WeakPolarHBondContact O-CB 3.39Å; I164-Y167 PolarHBondContact O-N 3.44Å; L165-Y167 VanDerWaalsContact C-N 3.3Å; L165-Y167 PolarHBondContact O-N 3.36Å; Y167-T170 PolarHBondContact O-OG1 2.83Å; Y167-M171 HydrophobicContact CE1-CE 3.9Å; Y167-M171 HydrophobicContact CE2-CE 4.49Å; Y167-K181 PolarHBondContact OH-NZ 3.35Å; Y167-E213 WeakPolarHBondContact CE2-OE1 3.32Å
168	Y	89.3	Confident	90	Very high	18 Å²	18	55.3 Å²	55.3	7%	0.071	30%	0.299	C	S	.	.	H	α-helix	trans	-74.2	-27.4	-178.5	-77.5	-67.8	0	0	0	113.1	L149 I164 L165 E166 T170 M171 P174 F178	L149-Y168 HydrophobicContact CD1-CD2 4.4Å; L149-Y168 HydrophobicContact CD1-CE2 3.7Å; I164-Y168 HydrophobicContact CG2-CD2 3.85Å; I164-Y168 HydrophobicContact CG2-CE2 3.71Å; I164-Y168 WeakPolarHBondContact O-CD2 3.49Å; I164-Y168 PolarHBondContact O-N 3.19Å; I164-Y168 VanDerWaalsContact O-N 3.14Å; L165-Y168 PolarHBondContact O-N 2.86Å; L165-Y168 VanDerWaalsContact O-N 3.17Å; E166-Y168 PolarHBondContact O-N 2.76Å; Y168-T170 PolarHBondContact O-N 3.23Å; Y168-M171 WeakPolarHBondContact O-CB 3.41Å; Y168-M171 PolarHBondContact O-N 3.33Å; Y168-M171 VanDerWaalsContact O-N 3.14Å; Y168-P174 HydrophobicContact CD1-CB 4.27Å; Y168-P174 HydrophobicContact CG-CB 4.37Å; Y168-F178 HydrophobicContact CE1-CB 4.12Å
169	S	87.2	Confident	90.2	Very high	68 Å²	68	57.3 Å²	57.3	48%	0.476	30%	0.303	S	S	.	.	H	α-helix	trans	-71.1	-17.5	179	71.5	0	0	0	0	113.5	L165 E166 M171	L165-S169 WeakPolarHBondContact O-CB 3.46Å; L165-S169 PolarHBondContact O-N 3.27Å; L165-S169 PolarHBondContact O-OG 2.91Å; E166-S169 WeakPolarHBondContact CA-OG 3.43Å; E166-S169 PolarHBondContact O-N 2.89Å; E166-S169 PolarHBondContact O-OG 3.48Å; S169-M171 PolarHBondContact O-N 2.91Å
170	T	88.5	Confident	90.1	Very high	103 Å²	103	57 Å²	57	63%	0.632	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-10.4	170.8	64.6	0	0	0	0	113.8	E166 Y167 Y168	E166-T170 WeakPolarHBondContact O-CG2 3.47Å; E166-T170 PolarHBondContact O-N 3.28Å; Y167-T170 PolarHBondContact O-OG1 2.83Å; Y168-T170 PolarHBondContact O-N 3.23Å
171	M	88.6	Confident	89.8	Confident	55 Å²	55	56 Å²	56	27%	0.271	28%	0.28	S	S	.	.	S	Bend	trans	-99.9	148	-176.6	-53.3	-66.3	171.9	0	0	111.1	Y167 Y168 S169 N173 E177	Y167-M171 HydrophobicContact CE1-CE 3.9Å; Y167-M171 HydrophobicContact CE2-CE 4.49Å; Y168-M171 WeakPolarHBondContact O-CB 3.41Å; Y168-M171 PolarHBondContact O-N 3.33Å; Y168-M171 VanDerWaalsContact O-N 3.14Å; S169-M171 PolarHBondContact O-N 2.91Å; M171-N173 PolarHBondContact O-N 3.45Å; M171-E177 HydrophobicContact CB-CB 4.44Å; M171-E177 HydrophobicContact CB-CG 3.82Å; M171-E177 HydrophobicContact CG-CB 4.28Å; M171-E177 HydrophobicContact CG-CG 3.89Å; M171-E177 HydrophobicContact SD-CG 4.12Å
172	D	87.3	Confident	89.4	Confident	175 Å²	175	59.8 Å²	59.8	94%	0.936	29%	0.294	S	S	*	.	S	Bend	trans	-63	-40.5	179	-63.8	-38	0	0	0	112.7
173	N	88.6	Confident	89	Confident	27 Å²	27	64 Å²	64	14%	0.144	31%	0.31	C	S	.	.			trans	-134	99.5	175.4	-174.8	-18.6	0	0	0	109.9	P132 M171 V175 E176 E177	P132-N173 HydrophobicContact CG-CB 4.43Å; M171-N173 PolarHBondContact O-N 3.45Å; N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 3.1Å; N173-V175 PolarHBondContact OD1-N 3.02Å; N173-E176 HydrophobicContact CB-CB 3.87Å; N173-E176 PolarHBondContact O-N 2.85Å; N173-E176 PolarHBondContact OD1-N 3.28Å; N173-E176 VanDerWaalsContact OD1-N 3.14Å; N173-E177 PolarHBondContact O-N 3.2Å
174	P	88.9	Confident	88.7	Confident	3 Å²	3	64 Å²	64	2%	0.019	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-31.5	-174.8	24.8	-33.9	0	0	0	113.2	L129 L130 Y168 F178	L129-P174 HydrophobicContact CD1-CB 3.76Å; L129-P174 HydrophobicContact CD1-CG 3.83Å; L129-P174 HydrophobicContact CG-CG 4.41Å; L130-P174 WeakPolarHBondContact O-CD 3.29Å; L130-P174 WeakPolarHBondContact O-CG 3.3Å; Y168-P174 HydrophobicContact CD1-CB 4.27Å; Y168-P174 HydrophobicContact CG-CB 4.37Å; P174-F178 WeakPolarHBondContact O-CB 3.32Å; P174-F178 PolarHBondContact O-N 2.81Å
175	V	88.4	Confident	88	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-70.5	-43.1	179.4	178.6	0	0	0	0	110.4	V131 D142 D145 L146 N173 F178 R179	V131-V175 HydrophobicContact CG1-CG2 4Å; D142-V175 HydrophobicContact CB-CG1 4.06Å; D142-V175 VanDerWaalsContact O-CG1 3.26Å; D142-V175 WeakPolarHBondContact O-CG1 3.4Å; D145-V175 HydrophobicContact CB-CG1 3.46Å; D145-V175 VanDerWaalsContact CB-CG1 3.46Å; L146-V175 HydrophobicContact CB-CG2 4.22Å; L146-V175 HydrophobicContact CD1-CG2 4.12Å; N173-V175 VanDerWaalsContact C-N 3.27Å; N173-V175 PolarHBondContact O-N 3.1Å; N173-V175 PolarHBondContact OD1-N 3.02Å; V175-F178 PolarHBondContact O-N 3.21Å; V175-R179 WeakPolarHBondContact O-CB 3.38Å; V175-R179 PolarHBondContact O-N 2.71Å
176	E	89.3	Confident	87.3	Confident	74 Å²	74	68.1 Å²	68.1	35%	0.346	33%	0.325	S	S	.	.	H	α-helix	trans	-65.3	-42.6	175.9	-168.4	-168.4	149.6	0	0	111.8	N173 F178 R179 K180	N173-E176 HydrophobicContact CB-CB 3.87Å; N173-E176 PolarHBondContact O-N 2.85Å; N173-E176 PolarHBondContact OD1-N 3.28Å; N173-E176 VanDerWaalsContact OD1-N 3.14Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.19Å; E176-R179 WeakPolarHBondContact O-CB 3.44Å; E176-R179 PolarHBondContact O-N 3.2Å; E176-R179 VanDerWaalsContact O-N 3.17Å; E176-K180 WeakPolarHBondContact O-CG 3.49Å; E176-K180 PolarHBondContact O-N 3.24Å; E176-K180 WeakPolarHBondContact OE1-CE 3.23Å; E176-K180 IonicContact OE1-NZ 2.75Å; E176-K180 PolarHBondContact OE1-NZ 3.4Å
177	E	89.2	Confident	86.9	Confident	50 Å²	50	64.4 Å²	64.4	23%	0.234	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-39.6	176.1	-73.8	-51.7	124.5	0	0	112	M171 N173 K180 K181	M171-E177 HydrophobicContact CB-CB 4.44Å; M171-E177 HydrophobicContact CB-CG 3.82Å; M171-E177 HydrophobicContact CG-CB 4.28Å; M171-E177 HydrophobicContact CG-CG 3.89Å; M171-E177 HydrophobicContact SD-CG 4.12Å; N173-E177 PolarHBondContact O-N 3.2Å; E177-K180 PolarHBondContact O-N 3.09Å; E177-K180 WeakPolarHBondContact OE1-CD 3.44Å; E177-K180 IonicContact OE1-NZ 2.76Å; E177-K180 PolarHBondContact OE1-NZ 3.3Å; E177-K181 WeakPolarHBondContact O-CB 3.23Å; E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.43Å; E177-K181 PolarHBondContact O-N 2.72Å
178	F	89.6	Confident	86.3	Confident	18 Å²	18	66.2 Å²	66.2	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-46.1	170.8	176.7	-104.6	0	0	0	111.8	D145 A148 L149 Y168 P174 V175 E176 K180 K181 R182	D145-F178 WeakPolarHBondContact O-CD1 3.45Å; D145-F178 WeakPolarHBondContact O-CE1 3.49Å; A148-F178 HydrophobicContact CB-CE1 3.92Å; A148-F178 HydrophobicContact CB-CZ 4.42Å; L149-F178 VanDerWaalsContact CA-CZ 3.47Å; L149-F178 HydrophobicContact CB-CD1 3.76Å; L149-F178 HydrophobicContact CB-CD2 4.11Å; L149-F178 HydrophobicContact CB-CE1 3.82Å; L149-F178 HydrophobicContact CB-CE2 4.15Å; L149-F178 HydrophobicContact CB-CG 3.9Å; L149-F178 HydrophobicContact CB-CZ 4Å; L149-F178 HydrophobicContact CD1-CB 4.49Å; L149-F178 HydrophobicContact CD1-CD2 3.5Å; L149-F178 VanDerWaalsContact CD1-CD2 3.5Å; L149-F178 HydrophobicContact CD1-CE2 3.76Å; L149-F178 HydrophobicContact CD1-CG 3.97Å; L149-F178 HydrophobicContact CD1-CZ 4.45Å; L149-F178 HydrophobicContact CG-CD2 4.32Å; L149-F178 HydrophobicContact CG-CG 4.35Å; L149-F178 VanDerWaalsContact N-CE1 3.31Å; Y168-F178 HydrophobicContact CE1-CB 4.12Å; P174-F178 WeakPolarHBondContact O-CB 3.32Å; P174-F178 PolarHBondContact O-N 2.81Å; V175-F178 PolarHBondContact O-N 3.21Å; E176-F178 VanDerWaalsContact C-N 3.33Å; E176-F178 PolarHBondContact O-N 3.19Å; F178-K180 PolarHBondContact O-N 2.94Å; F178-K181 PolarHBondContact O-N 3.45Å; F178-R182 VanDerWaalsContact O-CB 3.26Å; F178-R182 WeakPolarHBondContact O-CB 3.39Å; F178-R182 PolarHBondContact O-N 2.77Å
179	R	88.6	Confident	85.6	Confident	75 Å²	75	67.1 Å²	67.1	28%	0.283	33%	0.328	S	S	.	.	H	α-helix	trans	-56.4	-47	176.3	-177.6	-168.5	-64	141.2	5.3	111.5	T141 D142 D145 V175 E176 R182 R183	T141-R179 PolarHBondContact OG1-NH2 2.94Å; T141-R179 VanDerWaalsContact OG1-NH2 3.14Å; D142-R179 IonicContact OD1-CZ 3.64Å; D142-R179 IonicContact OD1-NH1 2.95Å; D142-R179 IonicContact OD1-NH2 3.87Å; D142-R179 PolarHBondContact OD1-NH2 2.88Å; D145-R179 VanDerWaalsContact CG-NE 3.31Å; D145-R179 WeakPolarHBondContact OD1-CG 2.98Å; D145-R179 IonicContact OD1-NE 3.13Å; D145-R179 IonicContact OD2-CZ 3.66Å; D145-R179 IonicContact OD2-NE 3.74Å; D145-R179 PolarHBondContact OD2-NE 3.03Å; D145-R179 IonicContact OD2-NH2 2.69Å; D145-R179 PolarHBondContact OD2-NH2 2.95Å; V175-R179 WeakPolarHBondContact O-CB 3.38Å; V175-R179 PolarHBondContact O-N 2.71Å; E176-R179 WeakPolarHBondContact O-CB 3.44Å; E176-R179 PolarHBondContact O-N 3.2Å; E176-R179 VanDerWaalsContact O-N 3.17Å; R179-R182 PolarHBondContact O-N 3.29Å; R179-R183 WeakPolarHBondContact O-CB 3.48Å; R179-R183 PolarHBondContact O-N 2.8Å
180	K	89.4	Confident	85.2	Confident	74 Å²	74	68.4 Å²	68.4	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-49.3	177.2	-73.3	171.6	-172.6	158.3	0	111.3	E176 E177 F178 R183 I184	E176-K180 WeakPolarHBondContact O-CG 3.49Å; E176-K180 PolarHBondContact O-N 3.24Å; E176-K180 WeakPolarHBondContact OE1-CE 3.23Å; E176-K180 IonicContact OE1-NZ 2.75Å; E176-K180 PolarHBondContact OE1-NZ 3.4Å; E177-K180 PolarHBondContact O-N 3.09Å; E177-K180 WeakPolarHBondContact OE1-CD 3.44Å; E177-K180 IonicContact OE1-NZ 2.76Å; E177-K180 PolarHBondContact OE1-NZ 3.3Å; F178-K180 PolarHBondContact O-N 2.94Å; K180-R183 WeakPolarHBondContact O-CB 3.37Å; K180-R183 PolarHBondContact O-N 2.82Å; K180-I184 WeakPolarHBondContact O-CG1 3.38Å; K180-I184 PolarHBondContact O-N 2.68Å
181	K	85.4	Confident	84.7	Confident	23 Å²	23	65.2 Å²	65.2	10%	0.1	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-42.5	178.8	-72.3	176	178.2	-161.7	0	112.5	Y167 E177 F178 R183 I184 L185 L212	Y167-K181 PolarHBondContact OH-NZ 3.35Å; E177-K181 WeakPolarHBondContact O-CB 3.23Å; E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.43Å; E177-K181 PolarHBondContact O-N 2.72Å; F178-K181 PolarHBondContact O-N 3.45Å; K181-R183 VanDerWaalsContact C-N 3.33Å; K181-R183 PolarHBondContact O-N 2.71Å; K181-I184 PolarHBondContact O-N 3.42Å; K181-L185 WeakPolarHBondContact O-CB 3.45Å; K181-L185 PolarHBondContact O-N 3.47Å; K181-L212 HydrophobicContact CD-CD1 4.48Å
182	R	85.2	Confident	84.2	Confident	82 Å²	82	64.1 Å²	64.1	31%	0.309	31%	0.312	S	S	.	.	H	α-helix	trans	-59.9	-43.8	175.6	-172.3	170	68.4	153.7	3.4	110.8	D145 F178 R179 L185 M186	D145-R182 IonicContact OD1-CZ 2.7Å; D145-R182 IonicContact OD1-NE 3.56Å; D145-R182 IonicContact OD1-NH2 2.73Å; D145-R182 PolarHBondContact OD1-NH2 3.43Å; F178-R182 VanDerWaalsContact O-CB 3.26Å; F178-R182 WeakPolarHBondContact O-CB 3.39Å; F178-R182 PolarHBondContact O-N 2.77Å; R179-R182 PolarHBondContact O-N 3.29Å; R182-L185 PolarHBondContact O-N 3.17Å; R182-M186 WeakPolarHBondContact O-CB 3.25Å; R182-M186 VanDerWaalsContact O-CG 3.23Å; R182-M186 WeakPolarHBondContact O-CG 3.38Å; R182-M186 PolarHBondContact O-N 2.95Å
183	R	87.3	Confident	83.5	Confident	174 Å²	174	57.9 Å²	57.9	66%	0.657	28%	0.278	S	S	*	.	H	α-helix	trans	-61.9	-44.7	175.9	-171.5	179	66.8	90	-0.3	112.4	R179 K180 K181 M186 A187	R179-R183 WeakPolarHBondContact O-CB 3.48Å; R179-R183 PolarHBondContact O-N 2.8Å; K180-R183 WeakPolarHBondContact O-CB 3.37Å; K180-R183 PolarHBondContact O-N 2.82Å; K181-R183 VanDerWaalsContact C-N 3.33Å; K181-R183 PolarHBondContact O-N 2.71Å; R183-M186 PolarHBondContact O-N 2.68Å; R183-A187 WeakPolarHBondContact O-CB 3.02Å; R183-A187 PolarHBondContact O-N 2.69Å
184	I	85.7	Confident	82.9	Confident	73 Å²	73	60.7 Å²	60.7	37%	0.374	30%	0.3	S	S	.	.	H	α-helix	trans	-62.1	-45.7	177	-67	165.8	0	0	0	110.5	K180 K181 A187 W188 L216	K180-I184 WeakPolarHBondContact O-CG1 3.38Å; K180-I184 PolarHBondContact O-N 2.68Å; K181-I184 PolarHBondContact O-N 3.42Å; I184-A187 PolarHBondContact O-N 2.6Å; I184-W188 WeakPolarHBondContact O-CB 3.43Å; I184-W188 PolarHBondContact O-N 2.82Å; I184-L216 HydrophobicContact CG2-CD2 4.5Å
185	L	76.5	Confident	82.3	Confident	50 Å²	50	68.4 Å²	68.4	26%	0.262	34%	0.335	S	S	.	.	H	α-helix	trans	-62.1	-44	178.5	-177.8	63.4	0	0	0	111.5	K181 R182 W188 H189	K181-L185 WeakPolarHBondContact O-CB 3.45Å; K181-L185 PolarHBondContact O-N 3.47Å; R182-L185 PolarHBondContact O-N 3.17Å; L185-W188 PolarHBondContact O-N 2.96Å; L185-H189 VanDerWaalsContact O-CB 3.28Å; L185-H189 WeakPolarHBondContact O-CB 3.35Å; L185-H189 PolarHBondContact O-N 3.04Å
186	M	78.7	Confident	81.4	Confident	85 Å²	85	71.1 Å²	71.1	42%	0.419	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-42	177.5	-69.4	-60	139	0	0	112	R182 R183 W188 H189 T190	R182-M186 WeakPolarHBondContact O-CB 3.25Å; R182-M186 VanDerWaalsContact O-CG 3.23Å; R182-M186 WeakPolarHBondContact O-CG 3.38Å; R182-M186 PolarHBondContact O-N 2.95Å; R183-M186 PolarHBondContact O-N 2.68Å; M186-W188 VanDerWaalsContact C-N 3.32Å; M186-W188 PolarHBondContact O-N 2.87Å; M186-H189 WeakPolarHBondContact O-CB 3.34Å; M186-H189 PolarHBondContact O-N 2.85Å; M186-T190 PolarHBondContact O-N 2.8Å; M186-T190 PolarHBondContact O-OG1 2.8Å
187	A	83.6	Confident	80.5	Confident	53 Å²	53	71.8 Å²	71.8	44%	0.438	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-41.3	175.1	0	0	0	0	0	111.7	R183 I184 S191	R183-A187 WeakPolarHBondContact O-CB 3.02Å; R183-A187 PolarHBondContact O-N 2.69Å; I184-A187 PolarHBondContact O-N 2.6Å; A187-S191 WeakPolarHBondContact O-CB 3.45Å; A187-S191 PolarHBondContact O-N 3.03Å; A187-S191 PolarHBondContact O-OG 3.15Å
188	W	77.9	Confident	79.4	Confident	108 Å²	108	79.2 Å²	79.2	41%	0.409	39%	0.387	S	S	.	.	H	α-helix	trans	-62.8	-48.4	174.5	-172.1	79.5	0	0	0	111.1	I184 L185 M186 T190 S191 V192 M215	I184-W188 WeakPolarHBondContact O-CB 3.43Å; I184-W188 PolarHBondContact O-N 2.82Å; L185-W188 PolarHBondContact O-N 2.96Å; M186-W188 VanDerWaalsContact C-N 3.32Å; M186-W188 PolarHBondContact O-N 2.87Å; W188-T190 VanDerWaalsContact C-N 3.34Å; W188-T190 PolarHBondContact O-N 3.38Å; W188-S191 PolarHBondContact O-N 2.81Å; W188-S191 VanDerWaalsContact O-N 3.1Å; W188-S191 PolarHBondContact O-OG 3.13Å; W188-V192 HydrophobicContact CD2-CG2 3.78Å; W188-V192 HydrophobicContact CE3-CG2 4.03Å; W188-V192 HydrophobicContact CG-CG2 4.41Å; W188-V192 HydrophobicContact CH2-CG2 3.92Å; W188-V192 HydrophobicContact CZ2-CG2 3.65Å; W188-V192 HydrophobicContact CZ3-CG2 4.09Å; W188-V192 WeakPolarHBondContact O-CG2 3.24Å; W188-V192 PolarHBondContact O-N 3.21Å; W188-M215 HydrophobicContact CD2-CE 4.05Å; W188-M215 HydrophobicContact CE3-CE 4.22Å; W188-M215 HydrophobicContact CH2-CE 3.91Å; W188-M215 HydrophobicContact CZ2-CE 3.71Å; W188-M215 HydrophobicContact CZ3-CE 4.16Å
189	H	74.5	Confident	78.1	Confident	36 Å²	36	81.3 Å²	81.3	17%	0.167	40%	0.399	C	S	.	.	H	α-helix	trans	-55.1	-47.6	177.4	-174.4	-76.6	0	0	0	112	L185 M186 V192 I193 S203	L185-H189 VanDerWaalsContact O-CB 3.28Å; L185-H189 WeakPolarHBondContact O-CB 3.35Å; L185-H189 PolarHBondContact O-N 3.04Å; M186-H189 WeakPolarHBondContact O-CB 3.34Å; M186-H189 PolarHBondContact O-N 2.85Å; H189-V192 PolarHBondContact O-N 3.14Å; H189-I193 WeakPolarHBondContact CE1-CD1 3.32Å; H189-I193 VanDerWaalsContact ND1-CD1 3.34Å; H189-I193 WeakPolarHBondContact ND1-CD1 3.17Å; H189-I193 WeakPolarHBondContact O-CG1 3.4Å; H189-I193 PolarHBondContact O-N 3.23Å; H189-I193 VanDerWaalsContact O-N 3.07Å; H189-S203 PolarHBondContact CD2-OG 2.83Å; H189-S203 VanDerWaalsContact NE2-CB 3.35Å; H189-S203 WeakPolarHBondContact NE2-CB 3.45Å; H189-S203 PolarHBondContact NE2-OG 3.46Å
190	T	77.9	Confident	76.7	Confident	96 Å²	96	80 Å²	80	59%	0.589	40%	0.4	S	S	*	.	H	α-helix	trans	-62.3	-42.6	176.3	-58.1	0	0	0	0	111.7	M186 W188 I193 S194	M186-T190 PolarHBondContact O-N 2.8Å; M186-T190 PolarHBondContact O-OG1 2.8Å; W188-T190 VanDerWaalsContact C-N 3.34Å; W188-T190 PolarHBondContact O-N 3.38Å; T190-I193 PolarHBondContact O-N 2.96Å; T190-S194 WeakPolarHBondContact O-CB 3.29Å; T190-S194 PolarHBondContact O-N 3.07Å
191	S	78.5	Confident	75.1	Confident	36 Å²	36	82.2 Å²	82.2	25%	0.252	42%	0.415	S	S	.	.	H	α-helix	trans	-66.8	-37.7	177.9	73	0	0	0	0	113.3	A187 W188 S194 H195	A187-S191 WeakPolarHBondContact O-CB 3.45Å; A187-S191 PolarHBondContact O-N 3.03Å; A187-S191 PolarHBondContact O-OG 3.15Å; W188-S191 PolarHBondContact O-N 2.81Å; W188-S191 VanDerWaalsContact O-N 3.1Å; W188-S191 PolarHBondContact O-OG 3.13Å; S191-S194 PolarHBondContact O-N 3.19Å; S191-S194 PolarHBondContact O-OG 3.04Å; S191-H195 PolarHBondContact O-N 3.16Å; S191-H195 VanDerWaalsContact O-N 3.13Å; S191-H195 PolarHBondContact O-ND1 2.91Å
192	V	77	Confident	73.3	Confident	31 Å²	31	88 Å²	88	19%	0.188	44%	0.437	C	S	.	.	H	α-helix	trans	-68.4	-42.7	178.5	171.3	0	0	0	0	110.3	W188 H189 S194 H195 N196 L199	W188-V192 HydrophobicContact CD2-CG2 3.78Å; W188-V192 HydrophobicContact CE3-CG2 4.03Å; W188-V192 HydrophobicContact CG-CG2 4.41Å; W188-V192 HydrophobicContact CH2-CG2 3.92Å; W188-V192 HydrophobicContact CZ2-CG2 3.65Å; W188-V192 HydrophobicContact CZ3-CG2 4.09Å; W188-V192 WeakPolarHBondContact O-CG2 3.24Å; W188-V192 PolarHBondContact O-N 3.21Å; H189-V192 PolarHBondContact O-N 3.14Å; V192-S194 VanDerWaalsContact C-N 3.34Å; V192-H195 PolarHBondContact O-N 3.13Å; V192-N196 PolarHBondContact O-N 2.83Å; V192-L199 HydrophobicContact CG1-CB 4.31Å; V192-L199 HydrophobicContact CG1-CD1 3.64Å
193	I	72.5	Confident	71.6	Confident	45 Å²	45	84.7 Å²	84.7	23%	0.231	43%	0.427	C	S	.	.	H	α-helix	trans	-66.2	-37.3	177.5	-69.8	176.5	0	0	0	111.3	H189 T190 H195 N196 V200	H189-I193 WeakPolarHBondContact CE1-CD1 3.32Å; H189-I193 VanDerWaalsContact ND1-CD1 3.34Å; H189-I193 WeakPolarHBondContact ND1-CD1 3.17Å; H189-I193 WeakPolarHBondContact O-CG1 3.4Å; H189-I193 PolarHBondContact O-N 3.23Å; H189-I193 VanDerWaalsContact O-N 3.07Å; T190-I193 PolarHBondContact O-N 2.96Å; I193-H195 VanDerWaalsContact C-N 3.34Å; I193-N196 CarbonylContact O-C 3.34Å; I193-N196 VanDerWaalsContact O-C 3.26Å; I193-N196 PolarHBondContact O-N 2.84Å; I193-V200 HydrophobicContact CD1-CG2 4.17Å; I193-V200 HydrophobicContact CG1-CG2 4.18Å; I193-V200 HydrophobicContact CG2-CG2 3.82Å
194	S	77.6	Confident	69.7	Low	86 Å²	86	84.4 Å²	84.4	60%	0.601	43%	0.425	S	S	*	.	H	α-helix	trans	-67	-35.1	177.2	74.3	0	0	0	0	112.5	T190 S191 V192	T190-S194 WeakPolarHBondContact O-CB 3.29Å; T190-S194 PolarHBondContact O-N 3.07Å; S191-S194 PolarHBondContact O-N 3.19Å; S191-S194 PolarHBondContact O-OG 3.04Å; V192-S194 VanDerWaalsContact C-N 3.34Å
195	H	75.1	Confident	67.7	Low	164 Å²	164	89.9 Å²	89.9	76%	0.759	45%	0.447	S	S	*	.	H	α-helix	trans	-78.9	-28.9	177.6	-73.9	81.9	0	0	0	113	S191 V192 I193	S191-H195 PolarHBondContact O-N 3.16Å; S191-H195 VanDerWaalsContact O-N 3.13Å; S191-H195 PolarHBondContact O-ND1 2.91Å; V192-H195 PolarHBondContact O-N 3.13Å; I193-H195 VanDerWaalsContact C-N 3.34Å
196	N	71	Confident	66.3	Low	61 Å²	61	93.9 Å²	93.9	33%	0.326	46%	0.462	S	S	.	.			trans	-148	98.4	176.5	-172.2	-16.9	0	0	0	111.2	V192 I193 Y198 L199	V192-N196 PolarHBondContact O-N 2.83Å; I193-N196 CarbonylContact O-C 3.34Å; I193-N196 VanDerWaalsContact O-C 3.26Å; I193-N196 PolarHBondContact O-N 2.84Å; N196-Y198 PolarHBondContact O-N 3.28Å; N196-Y198 VanDerWaalsContact O-N 3.11Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.34Å; N196-Y198 WeakPolarHBondContact OD1-CD2 3.35Å; N196-Y198 PolarHBondContact OD1-N 3.23Å; N196-L199 HydrophobicContact CB-CD1 3.8Å; N196-L199 HydrophobicContact CB-CG 3.91Å; N196-L199 WeakPolarHBondContact O-CB 3.48Å; N196-L199 PolarHBondContact O-N 3.33Å
197	P	69.7	Low	64.7	Low	87 Å²	87	96.6 Å²	96.6	57%	0.565	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-65.3	-16	-178	12.8	-15.4	0	0	0	113.5	L199 V200	P197-L199 PolarHBondContact O-N 3.15Å; P197-V200 WeakPolarHBondContact O-CG2 3.33Å
198	Y	65.5	Low	62.7	Low	206 Å²	206	97 Å²	97	81%	0.808	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-75.1	-12.8	175.4	-57.5	-76.6	0	0	0	113.1	N196 V200	N196-Y198 PolarHBondContact O-N 3.28Å; N196-Y198 VanDerWaalsContact O-N 3.11Å; N196-Y198 WeakPolarHBondContact OD1-CB 3.34Å; N196-Y198 WeakPolarHBondContact OD1-CD2 3.35Å; N196-Y198 PolarHBondContact OD1-N 3.23Å; Y198-V200 VanDerWaalsContact C-N 3.3Å; Y198-V200 PolarHBondContact O-N 3.06Å
199	L	62.1	Low	60.9	Low	62 Å²	62	95.6 Å²	95.6	33%	0.325	47%	0.47	S	S	.	.	G	3₁₀ helix	trans	-82.3	-0.5	178.7	-64	-179.8	0	0	0	114.3	V192 N196 P197 N201 Y202 S203	V192-L199 HydrophobicContact CG1-CB 4.31Å; V192-L199 HydrophobicContact CG1-CD1 3.64Å; N196-L199 HydrophobicContact CB-CD1 3.8Å; N196-L199 HydrophobicContact CB-CG 3.91Å; N196-L199 WeakPolarHBondContact O-CB 3.48Å; N196-L199 PolarHBondContact O-N 3.33Å; P197-L199 PolarHBondContact O-N 3.15Å; L199-N201 PolarHBondContact O-N 3.02Å; L199-Y202 WeakPolarHBondContact O-CB 2.92Å; L199-Y202 PolarHBondContact O-N 3.34Å; L199-S203 PolarHBondContact O-N 2.64Å
200	V	59.2	Low	59.1	Low	48 Å²	48	99.1 Å²	99.1	29%	0.291	50%	0.496	S	S	.	.	H	α-helix	trans	-54	-39.2	-179.8	173.1	0	0	0	0	112	I193 P197 Y198 R204	I193-V200 HydrophobicContact CD1-CG2 4.17Å; I193-V200 HydrophobicContact CG1-CG2 4.18Å; I193-V200 HydrophobicContact CG2-CG2 3.82Å; P197-V200 WeakPolarHBondContact O-CG2 3.33Å; Y198-V200 VanDerWaalsContact C-N 3.3Å; Y198-V200 PolarHBondContact O-N 3.06Å; V200-R204 PolarHBondContact O-N 3.38Å
201	N	55.3	Low	57.3	Low	120 Å²	120	99.6 Å²	99.6	64%	0.642	50%	0.495	S	S	*	.	H	α-helix	trans	-74.8	-32.2	179.7	-69.6	-28.5	0	0	0	113.2	L199 S203	L199-N201 PolarHBondContact O-N 3.02Å; N201-S203 VanDerWaalsContact C-N 3.3Å
202	Y	48	Very low	55.6	Low	144 Å²	144	99.8 Å²	99.8	57%	0.565	49%	0.493	S	S	*	.	H	α-helix	trans	-68.2	-36.1	176.1	-167.8	-99.2	0	0	0	111	L199 K205 K206	L199-Y202 WeakPolarHBondContact O-CB 2.92Å; L199-Y202 PolarHBondContact O-N 3.34Å; Y202-K205 PolarHBondContact O-N 2.9Å; Y202-K206 HydrophobicContact CE1-CD 3.99Å; Y202-K206 VanDerWaalsContact CE1-CE 3.48Å; Y202-K206 WeakPolarHBondContact OH-CE 3.18Å; Y202-K206 PolarHBondContact OH-NZ 3.33Å
203	S	49.7	Very low	53.7	Low	13 Å²	13	104.5 Å²	104.5	9%	0.091	51%	0.512	C	S	.	.	H	α-helix	trans	-73.5	-32.1	-176	-149.8	0	0	0	0	114.2	H189 L199 N201 K205 K206	H189-S203 PolarHBondContact CD2-OG 2.83Å; H189-S203 VanDerWaalsContact NE2-CB 3.35Å; H189-S203 WeakPolarHBondContact NE2-CB 3.45Å; H189-S203 PolarHBondContact NE2-OG 3.46Å; L199-S203 PolarHBondContact O-N 2.64Å; N201-S203 VanDerWaalsContact C-N 3.3Å; S203-K205 VanDerWaalsContact C-N 3.31Å; S203-K205 PolarHBondContact O-N 2.9Å; S203-K206 PolarHBondContact O-N 3.22Å
204	R	47.5	Very low	52.2	Low	168 Å²	168	112.6 Å²	112.6	63%	0.634	54%	0.54	S	S	*	.	H	α-helix	trans	-63.9	-33.4	175.5	-74.8	-177.7	179.6	-175.4	-0.5	113	V200	V200-R204 PolarHBondContact O-N 3.38Å
205	K	44.8	Very low	50.3	Low	189 Å²	189	113.6 Å²	113.6	82%	0.822	54%	0.537	S	S	*	.	H	α-helix	trans	-79.1	-20	-177.8	-73.9	-172.9	177.1	-176.6	0	114.6	Y202 S203	Y202-K205 PolarHBondContact O-N 2.9Å; S203-K205 VanDerWaalsContact C-N 3.31Å; S203-K205 PolarHBondContact O-N 2.9Å
206	K	46.8	Very low	48.5	Very low	134 Å²	134	109.5 Å²	109.5	58%	0.583	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	10.2	-179.8	-71.3	-161.7	177.9	-176.2	0	114.5	Y202 S203 C208	Y202-K206 HydrophobicContact CE1-CD 3.99Å; Y202-K206 VanDerWaalsContact CE1-CE 3.48Å; Y202-K206 WeakPolarHBondContact OH-CE 3.18Å; Y202-K206 PolarHBondContact OH-NZ 3.33Å; S203-K206 PolarHBondContact O-N 3.22Å; K206-C208 PolarHBondContact O-N 2.81Å
207	R	44.1	Very low	46.7	Very low	142 Å²	142	112.6 Å²	112.6	54%	0.536	54%	0.541	S	S	.	.			trans	-69.8	-19.5	-179.2	-150.1	177.3	-66.9	-177.6	-4.3	112.5
208	C	41.1	Very low	44.9	Very low	61 Å²	61	120.2 Å²	120.2	41%	0.412	56%	0.558	S	S	.	*	S	Bend	trans	-75.9	126.3	168.1	-54.3	0	0	0	0	108.7	K206 P210	K206-C208 PolarHBondContact O-N 2.81Å; C208-P210 WeakPolarHBondContact O-CD 3.47Å
209	V	41.1	Very low	43.5	Very low	79 Å²	79	117.9 Å²	117.9	48%	0.479	55%	0.548	S	S	.	.			trans	-82.3	109.4	-172.2	-174	0	0	0	0	110	L212	V209-L212 HydrophobicContact CG1-CD1 3.75Å; V209-L212 HydrophobicContact CG1-CG 4.28Å
210	P	36.7	Very low	42.4	Very low	110 Å²	110	123.7 Å²	123.7	71%	0.714	57%	0.574	S	S	*	*	S	Bend	trans	-130.1	132.1	139.1	31.5	-19.7	0	0	0	111.4	C208	C208-P210 WeakPolarHBondContact O-CD 3.47Å
211	N	40.1	Very low	41.3	Very low	106 Å²	106	129 Å²	129	57%	0.567	60%	0.601	S	S	*	*			trans	79.9	52.9	175.7	-72.6	-40.2	0	0	0	119.1	E213 R214	N211-E213 PolarHBondContact O-N 3.1Å; N211-R214 PolarHBondContact O-N 3.32Å
212	L	42.6	Very low	40.6	Very low	40 Å²	40	129.2 Å²	129.2	21%	0.209	61%	0.606	C	S	.	*	G	3₁₀ helix	trans	-60	-26	165	-94.1	156.6	0	0	0	113.4	K181 V209 R214 M215	K181-L212 HydrophobicContact CD-CD1 4.48Å; V209-L212 HydrophobicContact CG1-CD1 3.75Å; V209-L212 HydrophobicContact CG1-CG 4.28Å; L212-R214 PolarHBondContact O-N 2.68Å; L212-M215 PolarHBondContact O-N 2.93Å
213	E	37.9	Very low	40.1	Very low	129 Å²	129	132 Å²	132	60%	0.603	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-70.6	-27.6	-178.3	-71.6	-167.2	148.3	0	0	114.6	Y167 N211 M215	Y167-E213 WeakPolarHBondContact CE2-OE1 3.32Å; N211-E213 PolarHBondContact O-N 3.1Å; E213-M215 VanDerWaalsContact C-N 3.31Å; E213-M215 PolarHBondContact O-N 3.41Å
214	R	40.4	Very low	39.3	Very low	216 Å²	216	135 Å²	135	82%	0.815	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-80.2	-8.4	179.8	-79.7	-173.9	177.4	177.6	0.5	114.4	N211 L212	N211-R214 PolarHBondContact O-N 3.32Å; L212-R214 PolarHBondContact O-N 2.68Å
215	M	36.9	Very low	38.4	Very low	106 Å²	106	135.2 Å²	135.2	52%	0.522	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-103.4	-17.3	-178.4	-75.2	178.9	61.5	0	0	114.2	W188 L212 E213	W188-M215 HydrophobicContact CD2-CE 4.05Å; W188-M215 HydrophobicContact CE3-CE 4.22Å; W188-M215 HydrophobicContact CH2-CE 3.91Å; W188-M215 HydrophobicContact CZ2-CE 3.71Å; W188-M215 HydrophobicContact CZ3-CE 4.16Å; L212-M215 PolarHBondContact O-N 2.93Å; E213-M215 VanDerWaalsContact C-N 3.31Å; E213-M215 PolarHBondContact O-N 3.41Å
216	L	38.2	Very low	37.8	Very low	79 Å²	79	132 Å²	132	41%	0.414	67%	0.673	S	S	.	*	G	3₁₀ helix	trans	-82.7	-16.8	-174.3	-78.6	161.2	0	0	0	114.6	I184 W218	I184-L216 HydrophobicContact CG2-CD2 4.5Å; L216-W218 PolarHBondContact O-N 3.43Å
217	V	33.5	Very low	36.9	Very low	126 Å²	126	130.7 Å²	130.7	76%	0.764	68%	0.681	S	S	*	*	G	3₁₀ helix	trans	-69.2	-15.2	-176.2	176.9	0	0	0	0	113.8
218	W	31.8	Very low	36.2	Very low	246 Å²	246	127.8 Å²	127.8	93%	0.932	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-98	-1.5	-172.5	-132.3	80.8	0	0	0	116.2	L216	L216-W218 PolarHBondContact O-N 3.43Å
219	R	36.4	Very low	35.5	Very low	158 Å²	158	137.2 Å²	137.2	60%	0.596	71%	0.714	S	S	*	*			trans	-120.8	8.8	-167.5	-148.2	179.6	-178.3	174	2.1	116.8	N221	R219-N221 PolarHBondContact O-N 3.29Å
220	Q	37.9	Very low	35	Very low	183 Å²	183	136.8 Å²	136.8	86%	0.855	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.4	13.9	-177	-82.6	-173.9	-13.6	0	0	116.5
221	N	37.5	Very low	34.6	Very low	161 Å²	161	141 Å²	141	86%	0.861	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.8	20.5	-169.2	-97.9	-1.8	0	0	0	118.4	R219	R219-N221 PolarHBondContact O-N 3.29Å
222	T	40.2	Very low	33.9	Very low	123 Å²	123	143.1 Å²	143.1	76%	0.755	75%	0.747	S	S	*	*			trans	-143.2	112.6	173.9	52.2	0	0	0	0	113.4
223	Q	36.3	Very low	33.3	Very low	203 Å²	203	148.2 Å²	148.2	95%	0.949	77%	0.773	S	S	*	*			trans	-64.5	163.3	174.7	-64	178.2	-17.4	0	0	113.9
224	G	32.8	Very low	32.8	Very low	77 Å²	77	147.9 Å²	147.9	79%	0.794	79%	0.785	S	S	*	*			trans	135.8	93.2	140.6	0	0	0	0	0	118.6
225	N	29.2	Very low	32.3	Very low	171 Å²	171	141 Å²	141	91%	0.914	76%	0.763	S	S	*	*			trans	18.8	131.3	144.4	-103.2	-8.4	0	0	0	122.6
226	S	32.8	Very low	32.1	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	77%	0.771	S	S	*	*			trans	-170.4	128.7	131.7	179	0	0	0	0	111.8
227	S	27.9	Very low	32	Very low	106 Å²	106	140.6 Å²	140.6	74%	0.741	78%	0.775	S	S	*	*			trans	-100.9	168.9	-179.6	50	0	0	0	0	113.5
228	A	29	Very low	32.1	Very low	80 Å²	80	145.5 Å²	145.5	66%	0.661	78%	0.78	S	S	*	*			trans	105.9	157.5	147.9	0	0	0	0	0	119.4
229	W	27.5	Very low	32.4	Very low	260 Å²	260	138.9 Å²	138.9	99%	0.985	76%	0.759	S	S	*	*			trans	88.9	116.8	-173.1	-44.3	108.6	0	0	0	115.1
230	G	28.9	Very low	32.5	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	75%	0.749	S	S	*	*			cis	176.7	146.2	2	0	0	0	0	0	113
231	Q	29.1	Very low	33	Very low	197 Å²	197	130.6 Å²	130.6	92%	0.921	73%	0.73	S	S	*	*			trans	36.9	118.8	151	-67.6	179.7	-14.3	0	0	122.5
232	D	25.8	Very low	33.7	Very low	151 Å²	151	128.4 Å²	128.4	81%	0.807	72%	0.718	S	S	*	*			trans	-80.6	142.3	167.3	-63.3	-45.4	0	0	0	112.9
233	I	30.4	Very low	34.4	Very low	147 Å²	147	128.7 Å²	128.7	75%	0.754	71%	0.705	S	S	*	*			trans	-111.8	125.3	166.8	-66	172.7	0	0	0	107.5	I235	I233-I235 HydrophobicContact CG2-CD1 4.49Å; I233-I235 HydrophobicContact CG2-CG1 4.1Å
234	S	26	Very low	35.3	Very low	123 Å²	123	119.4 Å²	119.4	86%	0.86	66%	0.663	S	S	*	*			trans	-71.1	125.3	174.2	177.9	0	0	0	0	110.6
235	I	31.3	Very low	36.4	Very low	70 Å²	70	116 Å²	116	36%	0.359	63%	0.626	S	S	.	*			trans	-131.9	143.7	174.4	-51.9	-179.9	0	0	0	108.5	I233	I233-I235 HydrophobicContact CG2-CD1 4.49Å; I233-I235 HydrophobicContact CG2-CG1 4.1Å
236	D	31.5	Very low	37.7	Very low	130 Å²	130	110.8 Å²	110.8	70%	0.695	60%	0.603	S	S	*	*			trans	-55.5	126	-173.3	-164.9	-3.3	0	0	0	113.4	R238 E239 E240	D236-R238 PolarHBondContact O-N 2.59Å; D236-E239 PolarHBondContact O-N 2.63Å; D236-E239 VanDerWaalsContact O-N 3.12Å; D236-E240 PolarHBondContact O-N 3.07Å
237	G	35.4	Very low	39.2	Very low	48 Å²	48	109.6 Å²	109.6	50%	0.495	58%	0.582	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.5	1.9	-161.6	0	0	0	0	0	116.7
238	R	35.8	Very low	41.1	Very low	228 Å²	228	105.3 Å²	105.3	86%	0.86	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-25.1	174.9	-129.4	179.3	-78.6	-134.4	-0.4	113.4	D236	D236-R238 PolarHBondContact O-N 2.59Å
239	E	38.8	Very low	42.6	Very low	108 Å²	108	103.1 Å²	103.1	51%	0.505	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-27.3	168.8	-78.8	-165.1	175.6	0	0	112.2	D236 L241 D242 R243	D236-E239 PolarHBondContact O-N 2.63Å; D236-E239 VanDerWaalsContact O-N 3.12Å; E239-L241 PolarHBondContact O-N 3.37Å; E239-D242 PolarHBondContact O-N 3.2Å; E239-R243 PolarHBondContact O-N 3.43Å; E239-R243 IonicContact OE2-CZ 3.81Å; E239-R243 IonicContact OE2-NH2 2.85Å; E239-R243 PolarHBondContact OE2-NH2 3.33Å
240	E	39.3	Very low	44.1	Very low	79 Å²	79	95.5 Å²	95.5	37%	0.369	51%	0.505	S	S	.	.	H	α-helix	trans	-64.3	-40	-176.7	-163.5	166.1	-160.4	0	0	111.8	D236 D242 R243 S244	D236-E240 PolarHBondContact O-N 3.07Å; E240-D242 PolarHBondContact O-N 3.28Å; E240-R243 PolarHBondContact O-N 3.28Å; E240-S244 WeakPolarHBondContact O-CB 3.34Å; E240-S244 PolarHBondContact O-N 3.24Å; E240-S244 PolarHBondContact O-OG 3.29Å
241	L	46.6	Very low	45.6	Very low	88 Å²	88	93.7 Å²	93.7	46%	0.461	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-39.4	176.6	-98.8	143.4	0	0	0	113.3	E239 S244 V245	E239-L241 PolarHBondContact O-N 3.37Å; L241-S244 VanDerWaalsContact O-CB 3.24Å; L241-S244 WeakPolarHBondContact O-CB 3.47Å; L241-S244 PolarHBondContact O-N 3.48Å; L241-V245 PolarHBondContact O-N 2.77Å
242	D	52	Low	47	Very low	114 Å²	114	84.5 Å²	84.5	61%	0.61	44%	0.438	S	S	*	.	H	α-helix	trans	-74.7	-42.3	-178.9	-136.7	13.2	0	0	0	110.8	E239 E240 S244 V245 C246	E239-D242 PolarHBondContact O-N 3.2Å; E240-D242 PolarHBondContact O-N 3.28Å; D242-S244 PolarHBondContact O-N 3.33Å; D242-V245 PolarHBondContact O-N 3.32Å; D242-C246 PolarHBondContact O-N 2.95Å; D242-C246 PolarHBondContact O-SG 3.13Å; D242-C246 VanDerWaalsContact O-SG 3.32Å
243	R	54.9	Low	48.5	Very low	130 Å²	130	81 Å²	81	49%	0.491	42%	0.416	S	S	.	.	H	α-helix	trans	-60.9	-32.6	171.1	-68.7	-173.5	-160.6	-177.2	9.5	111.8	E239 E240 C246 K247	E239-R243 PolarHBondContact O-N 3.43Å; E239-R243 IonicContact OE2-CZ 3.81Å; E239-R243 IonicContact OE2-NH2 2.85Å; E239-R243 PolarHBondContact OE2-NH2 3.33Å; E240-R243 PolarHBondContact O-N 3.28Å; R243-C246 PolarHBondContact O-N 3.39Å; R243-K247 WeakPolarHBondContact O-CB 3.28Å; R243-K247 PolarHBondContact O-N 3.3Å
244	S	56	Low	49.6	Very low	8 Å²	8	76.5 Å²	76.5	6%	0.056	40%	0.401	C	S	.	.	H	α-helix	trans	-60.2	-51.2	179.4	-55.5	0	0	0	0	112.2	N138 E240 L241 D242 K247 R248	N138-S244 WeakPolarHBondContact ND2-CA 3.25Å; N138-S244 VanDerWaalsContact ND2-CB 3.34Å; N138-S244 WeakPolarHBondContact ND2-CB 3.49Å; N138-S244 PolarHBondContact ND2-N 2.77Å; N138-S244 PolarHBondContact ND2-OG 2.95Å; N138-S244 WeakPolarHBondContact OD1-CA 3.29Å; N138-S244 WeakPolarHBondContact OD1-CB 3.39Å; N138-S244 PolarHBondContact OD1-OG 3.15Å; E240-S244 WeakPolarHBondContact O-CB 3.34Å; E240-S244 PolarHBondContact O-N 3.24Å; E240-S244 PolarHBondContact O-OG 3.29Å; L241-S244 VanDerWaalsContact O-CB 3.24Å; L241-S244 WeakPolarHBondContact O-CB 3.47Å; L241-S244 PolarHBondContact O-N 3.48Å; D242-S244 PolarHBondContact O-N 3.33Å; S244-K247 PolarHBondContact O-N 2.57Å; S244-R248 PolarHBondContact O-N 3.45Å
245	V	56.8	Low	51.1	Low	5 Å²	5	71.3 Å²	71.3	3%	0.03	36%	0.363	C	S	.	.	H	α-helix	trans	-70.4	-41.1	-179.9	-178.3	0	0	0	0	110.1	W65 W134 L241 D242 K247 R248 L249	W65-V245 HydrophobicContact CH2-CB 3.51Å; W65-V245 HydrophobicContact CH2-CG1 3.34Å; W65-V245 HydrophobicContact CH2-CG2 3.31Å; W65-V245 HydrophobicContact CZ2-CB 3.96Å; W65-V245 HydrophobicContact CZ2-CG1 4.21Å; W65-V245 HydrophobicContact CZ2-CG2 3.23Å; W65-V245 HydrophobicContact CZ3-CB 4.31Å; W65-V245 HydrophobicContact CZ3-CG1 3.64Å; W65-V245 HydrophobicContact CZ3-CG2 4.16Å; W134-V245 HydrophobicContact CH2-CG2 4.33Å; L241-V245 PolarHBondContact O-N 2.77Å; D242-V245 PolarHBondContact O-N 3.32Å; V245-K247 VanDerWaalsContact C-N 3.27Å; V245-K247 PolarHBondContact O-N 2.88Å; V245-R248 PolarHBondContact O-N 2.68Å; V245-R248 VanDerWaalsContact O-N 3.15Å; V245-L249 HydrophobicContact CG1-CD1 3.66Å; V245-L249 HydrophobicContact CG1-CG 3.8Å; V245-L249 WeakPolarHBondContact O-CB 3.17Å; V245-L249 WeakPolarHBondContact O-CD1 3.33Å; V245-L249 WeakPolarHBondContact O-CG 3.45Å; V245-L249 PolarHBondContact O-N 2.86Å
246	C	56.1	Low	52.3	Low	62 Å²	62	68.8 Å²	68.8	42%	0.419	35%	0.351	S	S	.	.	H	α-helix	trans	-55.9	-39.7	172.6	-68.9	0	0	0	0	113.2	D242 R243 L249 N250	D242-C246 PolarHBondContact O-N 2.95Å; D242-C246 PolarHBondContact O-SG 3.13Å; D242-C246 VanDerWaalsContact O-SG 3.32Å; R243-C246 PolarHBondContact O-N 3.39Å; C246-L249 WeakPolarHBondContact O-CB 3.15Å; C246-N250 WeakPolarHBondContact O-CB 3.21Å; C246-N250 PolarHBondContact O-N 3.38Å; C246-N250 PolarHBondContact O-ND2 2.91Å; C246-N250 VanDerWaalsContact O-ND2 3.14Å
247	K	63.3	Low	53.4	Low	97 Å²	97	68.8 Å²	68.8	42%	0.422	35%	0.347	S	S	.	.	H	α-helix	trans	-68.5	-45.5	177	-171	178.4	178.6	-176.2	0	111.3	N138 R243 S244 V245 L249 N250 T251	N138-K247 HydrophobicContact CB-CD 4.34Å; N138-K247 VanDerWaalsContact O-CD 3.32Å; N138-K247 WeakPolarHBondContact O-CD 3.34Å; N138-K247 VanDerWaalsContact O-CE 3.3Å; N138-K247 WeakPolarHBondContact O-CE 3.25Å; N138-K247 PolarHBondContact O-NZ 2.91Å; R243-K247 WeakPolarHBondContact O-CB 3.28Å; R243-K247 PolarHBondContact O-N 3.3Å; S244-K247 PolarHBondContact O-N 2.57Å; V245-K247 VanDerWaalsContact C-N 3.27Å; V245-K247 PolarHBondContact O-N 2.88Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.44Å; K247-N250 PolarHBondContact O-N 3.36Å; K247-T251 WeakPolarHBondContact O-CG2 3.45Å; K247-T251 PolarHBondContact O-N 3.07Å; K247-T251 PolarHBondContact O-OG1 3.13Å
248	R	68.5	Low	54.1	Low	17 Å²	17	69.6 Å²	69.6	6%	0.064	34%	0.344	C	S	.	.	H	α-helix	trans	-61	-42	176.4	-159.8	75.4	167	-178.6	-2.4	111.3	V59 L60 W134 D140 L143 S244 V245 T251 S252	V59-R248 PolarHBondContact O-NE 3.46Å; V59-R248 PolarHBondContact O-NH2 3.41Å; L60-R248 WeakPolarHBondContact O-CG 3.44Å; W134-R248 HydrophobicContact CH2-CB 3.9Å; W134-R248 HydrophobicContact CH2-CG 3.93Å; W134-R248 HydrophobicContact CZ2-CB 4.07Å; W134-R248 HydrophobicContact CZ2-CG 4.03Å; W134-R248 HydrophobicContact CZ3-CG 4.19Å; D140-R248 IonicContact OD1-CZ 3.86Å; D140-R248 IonicContact OD1-NH1 3.28Å; D140-R248 PolarHBondContact OD1-NH1 3.21Å; D140-R248 IonicContact OD2-CZ 3.09Å; D140-R248 IonicContact OD2-NH1 3.84Å; D140-R248 PolarHBondContact OD2-NH1 3.13Å; L143-R248 VanDerWaalsContact CD1-CD 3.46Å; L143-R248 HydrophobicContact CD1-CG 3.83Å; S244-R248 PolarHBondContact O-N 3.45Å; V245-R248 PolarHBondContact O-N 2.68Å; V245-R248 VanDerWaalsContact O-N 3.15Å; R248-T251 VanDerWaalsContact CA-OG1 3.28Å; R248-T251 WeakPolarHBondContact CA-OG1 3.44Å; R248-T251 CarbonylContact O-C 3.26Å; R248-T251 PolarHBondContact O-N 2.95Å; R248-T251 PolarHBondContact O-OG1 3.44Å; R248-S252 PolarHBondContact O-N 3.36Å; R248-S252 PolarHBondContact O-OG 2.89Å
249	L	60.4	Low	55.1	Low	33 Å²	33	58.9 Å²	58.9	17%	0.173	30%	0.304	C	S	.	.	H	α-helix	trans	-58.2	-49.3	173.2	-74.4	167.8	0	0	0	111.5	L75 V245 C246 K247 T251 S252 E253	L75-L249 HydrophobicContact CB-CD2 3.93Å; L75-L249 HydrophobicContact CD2-CD2 3.18Å; L75-L249 HydrophobicContact CD2-CG 4.2Å; L75-L249 HydrophobicContact CG-CD2 3.39Å; V245-L249 HydrophobicContact CG1-CD1 3.66Å; V245-L249 HydrophobicContact CG1-CG 3.8Å; V245-L249 WeakPolarHBondContact O-CB 3.17Å; V245-L249 WeakPolarHBondContact O-CD1 3.33Å; V245-L249 WeakPolarHBondContact O-CG 3.45Å; V245-L249 PolarHBondContact O-N 2.86Å; C246-L249 WeakPolarHBondContact O-CB 3.15Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.44Å; L249-T251 VanDerWaalsContact C-N 3.34Å; L249-T251 PolarHBondContact O-N 3.33Å; L249-S252 VanDerWaalsContact CA-OG 3.28Å; L249-S252 WeakPolarHBondContact CA-OG 3.4Å; L249-S252 CarbonylContact O-C 3.59Å; L249-S252 PolarHBondContact O-N 3.39Å; L249-S252 PolarHBondContact O-OG 2.78Å; L249-E253 PolarHBondContact O-N 3.36Å
250	N	59.9	Low	55.8	Low	101 Å²	101	58.2 Å²	58.2	54%	0.54	31%	0.312	S	S	.	.	H	α-helix	trans	-66.5	-37	177.6	-70.4	-24.6	0	0	0	111.6	C246 K247 E253 A254	C246-N250 WeakPolarHBondContact O-CB 3.21Å; C246-N250 PolarHBondContact O-N 3.38Å; C246-N250 PolarHBondContact O-ND2 2.91Å; C246-N250 VanDerWaalsContact O-ND2 3.14Å; K247-N250 PolarHBondContact O-N 3.36Å; N250-E253 PolarHBondContact O-N 2.83Å; N250-A254 PolarHBondContact O-N 3.29Å
251	T	60.2	Low	56.5	Low	31 Å²	31	59 Å²	59	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-36.6	172.4	53.5	0	0	0	0	111.7	V144 K247 R248 L249 E253 A254 I255	V144-T251 HydrophobicContact CG2-CG2 3.88Å; K247-T251 WeakPolarHBondContact O-CG2 3.45Å; K247-T251 PolarHBondContact O-N 3.07Å; K247-T251 PolarHBondContact O-OG1 3.13Å; R248-T251 VanDerWaalsContact CA-OG1 3.28Å; R248-T251 WeakPolarHBondContact CA-OG1 3.44Å; R248-T251 CarbonylContact O-C 3.26Å; R248-T251 PolarHBondContact O-N 2.95Å; R248-T251 PolarHBondContact O-OG1 3.44Å; L249-T251 VanDerWaalsContact C-N 3.34Å; L249-T251 PolarHBondContact O-N 3.33Å; T251-E253 VanDerWaalsContact C-N 3.33Å; T251-A254 PolarHBondContact O-N 2.81Å; T251-I255 WeakPolarHBondContact O-CB 3.5Å; T251-I255 WeakPolarHBondContact O-CD1 3.37Å; T251-I255 WeakPolarHBondContact O-CG1 3.3Å; T251-I255 PolarHBondContact O-N 2.9Å
252	S	58.6	Low	57	Low	4 Å²	4	55.4 Å²	55.4	3%	0.028	30%	0.298	C	S	.	.	H	α-helix	trans	-66.6	-35.9	173.5	59.3	0	0	0	0	111.1	R248 L249 A254 I255 N256	R248-S252 PolarHBondContact O-N 3.36Å; R248-S252 PolarHBondContact O-OG 2.89Å; L249-S252 VanDerWaalsContact CA-OG 3.28Å; L249-S252 WeakPolarHBondContact CA-OG 3.4Å; L249-S252 CarbonylContact O-C 3.59Å; L249-S252 PolarHBondContact O-N 3.39Å; L249-S252 PolarHBondContact O-OG 2.78Å; S252-A254 PolarHBondContact O-N 2.8Å; S252-I255 CarbonylContact O-C 3.55Å; S252-I255 WeakPolarHBondContact O-CB 3.31Å; S252-I255 PolarHBondContact O-N 2.82Å; S252-N256 WeakPolarHBondContact O-CB 3.33Å; S252-N256 PolarHBondContact O-N 3.37Å; S252-N256 PolarHBondContact O-ND2 3.19Å; S252-N256 PolarHBondContact O-OD1 2.82Å
253	E	56.3	Low	57.4	Low	78 Å²	78	50.2 Å²	50.2	36%	0.364	27%	0.27	S	S	.	.	H	α-helix	trans	-64.4	-41.8	173.1	-166.7	179.3	-179.6	0	0	111.6	L249 N250 T251 I255 N256 Q257	L249-E253 PolarHBondContact O-N 3.36Å; N250-E253 PolarHBondContact O-N 2.83Å; T251-E253 VanDerWaalsContact C-N 3.33Å; E253-I255 VanDerWaalsContact C-N 3.34Å; E253-N256 PolarHBondContact O-N 3.5Å; E253-Q257 WeakPolarHBondContact O-CG 3.27Å; E253-Q257 PolarHBondContact O-N 3.17Å
254	A	53.2	Low	57.6	Low	52 Å²	52	44.7 Å²	44.7	43%	0.43	25%	0.25	S	S	.	.	H	α-helix	trans	-66.1	-35.6	174.5	0	0	0	0	0	112.8	N250 T251 S252 S258	N250-A254 PolarHBondContact O-N 3.29Å; T251-A254 PolarHBondContact O-N 2.81Å; S252-A254 PolarHBondContact O-N 2.8Å; A254-S258 WeakPolarHBondContact O-CB 3.31Å; A254-S258 PolarHBondContact O-N 2.94Å; A254-S258 VanDerWaalsContact O-N 3.14Å; A254-S258 PolarHBondContact O-OG 3.46Å
255	I	59	Low	58	Low	14 Å²	14	44.3 Å²	44.3	7%	0.072	25%	0.248	C	C	.	.	H	α-helix	trans	-59.3	-56	168.5	-70.1	159.1	0	0	0	108.2	L143 A147 T251 S252 E253 Q257 S258 L259	L143-I255 HydrophobicContact CB-CD1 3.56Å; L143-I255 HydrophobicContact CD1-CD1 3.83Å; L143-I255 HydrophobicContact CD2-CD1 3.96Å; L143-I255 HydrophobicContact CG-CD1 3.94Å; A147-I255 HydrophobicContact CB-CB 4.12Å; A147-I255 HydrophobicContact CB-CG1 3.52Å; A147-I255 HydrophobicContact CB-CG2 4.08Å; T251-I255 WeakPolarHBondContact O-CB 3.5Å; T251-I255 WeakPolarHBondContact O-CD1 3.37Å; T251-I255 WeakPolarHBondContact O-CG1 3.3Å; T251-I255 PolarHBondContact O-N 2.9Å; S252-I255 CarbonylContact O-C 3.55Å; S252-I255 WeakPolarHBondContact O-CB 3.31Å; S252-I255 PolarHBondContact O-N 2.82Å; E253-I255 VanDerWaalsContact C-N 3.34Å; I255-Q257 VanDerWaalsContact C-N 3.28Å; I255-Q257 PolarHBondContact O-N 2.9Å; I255-S258 CarbonylContact O-C 3.58Å; I255-S258 WeakPolarHBondContact O-CA 3.35Å; I255-S258 WeakPolarHBondContact O-CB 3.22Å; I255-S258 PolarHBondContact O-N 3.35Å; I255-L259 HydrophobicContact CG2-CD1 3.3Å; I255-L259 HydrophobicContact CG2-CG 3.67Å; I255-L259 VanDerWaalsContact O-CB 3.29Å; I255-L259 WeakPolarHBondContact O-CB 3.32Å; I255-L259 VanDerWaalsContact O-CG 3.23Å; I255-L259 WeakPolarHBondContact O-CG 3.32Å; I255-L259 PolarHBondContact O-N 3.46Å
256	N	55.1	Low	58.3	Low	17 Å²	17	44.6 Å²	44.6	9%	0.091	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-34.8	-174.3	-58.3	-10.5	0	0	0	112	L80 S252 E253 L259 S260 E264	L80-N256 HydrophobicContact CB-CB 4.4Å; L80-N256 HydrophobicContact CD1-CB 3.35Å; L80-N256 HydrophobicContact CG-CB 4.45Å; S252-N256 WeakPolarHBondContact O-CB 3.33Å; S252-N256 PolarHBondContact O-N 3.37Å; S252-N256 PolarHBondContact O-ND2 3.19Å; S252-N256 PolarHBondContact O-OD1 2.82Å; E253-N256 PolarHBondContact O-N 3.5Å; N256-L259 CarbonylContact O-C 3.42Å; N256-L259 PolarHBondContact O-N 2.93Å; N256-S260 PolarHBondContact O-N 2.91Å; N256-E264 PolarHBondContact OD1-OE2 3.25Å
257	Q	54.3	Low	58.6	Low	131 Å²	131	43 Å²	43	61%	0.612	24%	0.235	S	C	*	.	H	α-helix	trans	-65.3	-41.6	171.5	-72.7	-179.4	18.1	0	0	112.2	E253 I255 L259 S260	E253-Q257 WeakPolarHBondContact O-CG 3.27Å; E253-Q257 PolarHBondContact O-N 3.17Å; I255-Q257 VanDerWaalsContact C-N 3.28Å; I255-Q257 PolarHBondContact O-N 2.9Å; Q257-L259 VanDerWaalsContact C-N 3.29Å; Q257-S260 PolarHBondContact O-OG 3.3Å
258	S	50.2	Low	58.3	Low	64 Å²	64	40.3 Å²	40.3	45%	0.448	23%	0.225	S	C	.	.	H	α-helix	trans	-73	-24.2	176.6	-55	0	0	0	0	112.7	A254 I255	A254-S258 WeakPolarHBondContact O-CB 3.31Å; A254-S258 PolarHBondContact O-N 2.94Å; A254-S258 VanDerWaalsContact O-N 3.14Å; A254-S258 PolarHBondContact O-OG 3.46Å; I255-S258 CarbonylContact O-C 3.58Å; I255-S258 WeakPolarHBondContact O-CA 3.35Å; I255-S258 WeakPolarHBondContact O-CB 3.22Å; I255-S258 PolarHBondContact O-N 3.35Å
259	L	57.1	Low	57.8	Low	3 Å²	3	41.5 Å²	41.5	2%	0.016	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	13.8	-178.2	-65.1	-163	0	0	0	113.1	L52 L150 I255 N256 Q257 M261 I262 E264	L52-L259 HydrophobicContact CD2-CD1 3.84Å; L150-L259 HydrophobicContact CB-CD2 3.96Å; L150-L259 HydrophobicContact CD1-CD1 3.97Å; I255-L259 HydrophobicContact CG2-CD1 3.3Å; I255-L259 HydrophobicContact CG2-CG 3.67Å; I255-L259 VanDerWaalsContact O-CB 3.29Å; I255-L259 WeakPolarHBondContact O-CB 3.32Å; I255-L259 VanDerWaalsContact O-CG 3.23Å; I255-L259 WeakPolarHBondContact O-CG 3.32Å; I255-L259 PolarHBondContact O-N 3.46Å; N256-L259 CarbonylContact O-C 3.42Å; N256-L259 PolarHBondContact O-N 2.93Å; Q257-L259 VanDerWaalsContact C-N 3.29Å; L259-M261 PolarHBondContact O-N 3.45Å; L259-I262 HydrophobicContact CB-CB 4.31Å; L259-I262 HydrophobicContact CD2-CD1 3.69Å; L259-I262 HydrophobicContact CD2-CG1 4.24Å; L259-I262 WeakPolarHBondContact O-CA 3.47Å; L259-I262 WeakPolarHBondContact O-CB 3.38Å; L259-I262 PolarHBondContact O-N 3Å; L259-E264 VanDerWaalsContact CB-OE1 3.31Å; L259-E264 WeakPolarHBondContact CB-OE1 3.34Å; L259-E264 VanDerWaalsContact CD1-OE1 3.23Å; L259-E264 WeakPolarHBondContact CD1-OE1 3.41Å
260	S	54.8	Low	57.6	Low	95 Å²	95	42 Å²	42	66%	0.664	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-14.4	169	56.8	0	0	0	0	114.1	N256 Q257	N256-S260 PolarHBondContact O-N 2.91Å; Q257-S260 PolarHBondContact O-OG 3.3Å
261	M	52.5	Low	57.5	Low	95 Å²	95	38.5 Å²	38.5	47%	0.468	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	2.7	171	-60.4	-173.8	-176.4	0	0	114.4	P48 P49 L259	P48-M261 WeakPolarHBondContact CB-O 3.29Å; P49-M261 VanDerWaalsContact CD-O 3.31Å; P49-M261 WeakPolarHBondContact CD-O 3.34Å; L259-M261 PolarHBondContact O-N 3.45Å
262	I	58.3	Low	57.3	Low	13 Å²	13	39 Å²	39	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.6	-171.2	-58.5	-163.1	0	0	0	110.1	L52 L150 A154 L259 E264	L52-I262 HydrophobicContact CB-CG2 3.18Å; L52-I262 HydrophobicContact CD2-CG2 4.02Å; L52-I262 HydrophobicContact CG-CG2 4.19Å; L150-I262 HydrophobicContact CB-CD1 3.92Å; A154-I262 HydrophobicContact CB-CD1 4.2Å; A154-I262 HydrophobicContact CB-CG1 4.22Å; L259-I262 HydrophobicContact CB-CB 4.31Å; L259-I262 HydrophobicContact CD2-CD1 3.69Å; L259-I262 HydrophobicContact CD2-CG1 4.24Å; L259-I262 WeakPolarHBondContact O-CA 3.47Å; L259-I262 WeakPolarHBondContact O-CB 3.38Å; L259-I262 PolarHBondContact O-N 3Å; I262-E264 PolarHBondContact O-N 3.23Å
263	S	59.6	Low	57.3	Low	5 Å²	5	41.3 Å²	41.3	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	101.1	175.3	161	0	0	0	0	109.9	P48 I50 L52 M82	P48-S263 VanDerWaalsContact CB-N 3.27Å; I50-S263 PolarHBondContact O-N 3.23Å; L52-S263 PolarHBondContact N-O 2.95Å; L52-S263 VanDerWaalsContact O-O 3.09Å; M82-S263 WeakPolarHBondContact CE-OG 3.47Å
264	E	59.7	Low	57.3	Low	14 Å²	14	38.7 Å²	38.7	7%	0.065	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	135.1	-178.5	-66.7	-175.5	-166.6	0	0	113.6	L52 M82 N256 L259 I262	L52-E264 HydrophobicContact CD2-CG 4.23Å; L52-E264 CarbonylContact O-C 3.5Å; L52-E264 WeakPolarHBondContact O-CA 3.38Å; M82-E264 PolarHBondContact N-O 3.02Å; M82-E264 VanDerWaalsContact N-O 3.13Å; N256-E264 PolarHBondContact OD1-OE2 3.25Å; L259-E264 VanDerWaalsContact CB-OE1 3.31Å; L259-E264 WeakPolarHBondContact CB-OE1 3.34Å; L259-E264 VanDerWaalsContact CD1-OE1 3.23Å; L259-E264 WeakPolarHBondContact CD1-OE1 3.41Å; I262-E264 PolarHBondContact O-N 3.23Å
265	I	63.1	Low	57.6	Low	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.3	172.9	-55	176.7	0	0	0	107.6	L37 T51 L52 V53 V54 Y83 L85 L104	L37-I265 HydrophobicContact CD1-CD1 3.28Å; L37-I265 HydrophobicContact CD2-CD1 4.01Å; L37-I265 HydrophobicContact CG-CD1 4.21Å; T51-I265 HydrophobicContact CG2-CD1 3.62Å; T51-I265 HydrophobicContact CG2-CG1 4.28Å; L52-I265 PolarHBondContact O-N 2.86Å; V53-I265 CarbonylContact C-O 3.52Å; V53-I265 WeakPolarHBondContact CA-O 3.5Å; V53-I265 HydrophobicContact CG2-CB 4.34Å; V53-I265 HydrophobicContact CG2-CD1 4.28Å; V54-I265 PolarHBondContact N-O 3.16Å; Y83-I265 HydrophobicContact CD2-CG1 4.38Å; Y83-I265 WeakPolarHBondContact O-CA 3.34Å; L85-I265 HydrophobicContact CB-CG2 4.4Å; L85-I265 HydrophobicContact CD1-CG2 3.55Å; L85-I265 HydrophobicContact CG-CG2 3.7Å; L104-I265 HydrophobicContact CD2-CD1 4.25Å
266	L	64.2	Low	57.5	Low	10 Å²	10	39.7 Å²	39.7	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	131.7	177.5	-65.5	175.9	0	0	0	110	V54 L60 A81 Y83 L85	V54-L266 HydrophobicContact CB-CD2 4.07Å; L60-L266 HydrophobicContact CD1-CD2 3.62Å; A81-L266 HydrophobicContact CB-CD1 3.69Å; A81-L266 HydrophobicContact CB-CG 3.93Å; Y83-L266 PolarHBondContact O-N 3.18Å; Y83-L266 VanDerWaalsContact O-N 3.15Å; L85-L266 PolarHBondContact N-O 2.95Å; L85-L266 VanDerWaalsContact O-O 3.14Å
267	F	61.4	Low	57.7	Low	29 Å²	29	41.7 Å²	41.7	13%	0.127	23%	0.232	C	C	.	.			trans	-103.4	0	170.4	-93.3	-82.2	0	0	0	112.1	V53 V54 L56 L85 A89 T90 K99	V53-F267 HydrophobicContact CG1-CD2 3.3Å; V53-F267 HydrophobicContact CG1-CE2 3.39Å; V54-F267 PolarHBondContact O-N 3.23Å; L56-F267 WeakPolarHBondContact CB-O 3.47Å; L56-F267 PolarHBondContact N-O 3.41Å; L85-F267 HydrophobicContact CB-CD1 3.76Å; L85-F267 HydrophobicContact CB-CD2 4.33Å; L85-F267 HydrophobicContact CB-CE1 3.62Å; L85-F267 HydrophobicContact CB-CE2 4.21Å; L85-F267 HydrophobicContact CB-CG 4.15Å; L85-F267 HydrophobicContact CB-CZ 3.87Å; L85-F267 HydrophobicContact CD1-CD2 4.39Å; L85-F267 HydrophobicContact CD1-CE1 4.02Å; L85-F267 HydrophobicContact CD1-CE2 3.59Å; L85-F267 HydrophobicContact CD1-CZ 3.39Å; L85-F267 HydrophobicContact CG-CE1 4.48Å; L85-F267 HydrophobicContact CG-CZ 4.27Å; L85-F267 WeakPolarHBondContact O-CA 3.27Å; A89-F267 HydrophobicContact CB-CE1 3.99Å; T90-F267 HydrophobicContact CG2-CD1 4.34Å; T90-F267 HydrophobicContact CG2-CE1 4.07Å; K99-F267 HydrophobicContact CB-CZ 4.45Å; K99-F267 HydrophobicContact CD-CD1 4.39Å; K99-F267 HydrophobicContact CD-CD2 4.04Å; K99-F267 HydrophobicContact CD-CE2 4.26Å; K99-F267 HydrophobicContact CD-CG 4.09Å; K99-F267 HydrophobicContact CG-CD1 4.34Å; K99-F267 HydrophobicContact CG-CE1 4.2Å; K99-F267 HydrophobicContact CG-CE2 4.45Å; K99-F267 HydrophobicContact CG-CZ 4.25Å

Retrieved 267 of 267 residues in 225.1 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).