A0A096MSL2_PAPAN Loading...

tRNA N(3)-cytidine methyltransferase

S-adenosyl-L-methionine-dependent methyltransferase that mediates N(3)-methylcytidine modification of residue 32 of the tRNA anticodon loop of tRNA(Ser), including tRNA(Ser)(UGA) and tRNA(Ser)(GCU). Interaction with SARS1/SerRS is required for N(3)-methylcytidine methylation.

AlphaFold DB , UniProt , Accession A0A096MSL2, Species PAPAN (Papio anubis, Olive baboon), Gene METTL6, Length 284 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	35.3	Very low	50.7	Low	246 Å²	246	132.6 Å²	132.6	100%	1.212	71%	0.711	S	S	*	*				0	112.5	0	-76.9	172.6	-177.9	0	0	107.1	S3	M1-S3 PolarHBondContact O-N 3.26Å
2	T	29.6	Very low	54.1	Low	145 Å²	145	125.3 Å²	125.3	89%	0.89	67%	0.666	S	S	*	*			trans	-70.5	113.2	179.3	17.8	0	0	0	0	108.9	L4	T2-L4 PolarHBondContact O-N 2.98Å
3	S	36	Very low	56.8	Low	114 Å²	114	125.5 Å²	125.5	80%	0.797	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-61	118.2	173	51.7	0	0	0	0	109.2	M1	M1-S3 PolarHBondContact O-N 3.26Å
4	L	36.3	Very low	59.4	Low	159 Å²	159	117.8 Å²	117.8	83%	0.832	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-56	137.1	167.5	-78.9	151.7	0	0	0	108.8	T2 R6	T2-L4 PolarHBondContact O-N 2.98Å; L4-R6 PolarHBondContact O-N 3.04Å
5	P	41.4	Very low	61.6	Low	119 Å²	119	113.5 Å²	113.5	77%	0.773	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-62.4	122.4	176.1	24	-31	0	0	0	109.3	K7	P5-K7 PolarHBondContact O-N 2.94Å
6	R	54.4	Low	63.7	Low	126 Å²	126	112.4 Å²	112.4	48%	0.475	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-57.5	125.4	174.7	-78.5	-176.9	167.3	169.6	-4.5	108.8	L4 G8 D224 E238	L4-R6 PolarHBondContact O-N 3.04Å; R6-G8 PolarHBondContact O-N 3.11Å; R6-D224 IonicContact NH1-OD2 2.68Å; R6-E238 IonicContact CZ-OE2 3.77Å; R6-E238 IonicContact NE-OE2 3.82Å; R6-E238 IonicContact NH2-OE2 2.92Å; R6-E238 PolarHBondContact NH2-OE2 3.11Å
7	K	47.1	Very low	65.4	Low	212 Å²	212	115 Å²	115	92%	0.922	63%	0.626	S	S	*	*			trans	-86.7	20.7	-177.4	-120.1	-177.7	-176.1	-177.2	0	112.9	P5	P5-K7 PolarHBondContact O-N 2.94Å
8	G	56	Low	67	Low	32 Å²	32	110.8 Å²	110.8	33%	0.33	60%	0.601	S	S	.	*	S	Bend	trans	-80.3	150.8	179.5	0	0	0	0	0	112.2	R6 Q10	R6-G8 PolarHBondContact O-N 3.11Å; G8-Q10 PolarHBondContact O-N 3.06Å
9	L	62.4	Low	68.4	Low	107 Å²	107	109 Å²	109	56%	0.56	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-57	133.9	165.5	-76.7	155.2	0	0	0	108.9	Y243 F245	L9-Y243 WeakPolarHBondContact O-CD2 3.49Å; L9-F245 HydrophobicContact CB-CE2 4.09Å; L9-F245 HydrophobicContact CD1-CD2 4.4Å; L9-F245 HydrophobicContact CD1-CE2 4.22Å
10	Q	77.1	Confident	69.7	Low	171 Å²	171	107.7 Å²	107.7	80%	0.799	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-67.5	157.1	173	-69.4	-178.2	6.6	0	0	110.6	G8	G8-Q10 PolarHBondContact O-N 3.06Å
11	A	82.4	Confident	70.8	Confident	28 Å²	28	106.8 Å²	106.8	23%	0.231	57%	0.569	C	S	.	*	P	Polyproline II helix	trans	-51.8	154.3	172.7	0	0	0	0	0	111.6	V13 L192 Y193 Y243	A11-V13 PolarHBondContact O-N 3.31Å; A11-L192 HydrophobicContact CB-CD2 4.42Å; A11-Y193 HydrophobicContact CB-CD2 4.35Å; A11-Y193 HydrophobicContact CB-CE2 4.4Å; A11-Y243 HydrophobicContact CB-CE1 4.48Å; A11-Y243 HydrophobicContact CB-CE2 3.99Å
12	R	90.9	Very high	73.5	Confident	45 Å²	45	96.5 Å²	96.5	17%	0.17	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-52.2	131.4	179	-169.8	179.6	156.3	-149.2	-11	110.9	L14 E18 Y193 F245 V260	R12-L14 PolarHBondContact O-N 2.79Å; R12-E18 IonicContact CZ-OE1 2.76Å; R12-E18 IonicContact NH1-OE1 2.88Å; R12-E18 IonicContact NH2-OE1 3.71Å; R12-E18 PolarHBondContact NH2-OE1 3.39Å; R12-E18 IonicContact NH2-OE2 3.52Å; R12-E18 PolarHBondContact NH2-OE2 3.44Å; R12-Y193 PolarHBondContact NH1-O 2.77Å; R12-Y193 VanDerWaalsContact NH1-O 3.13Å; R12-Y193 WeakPolarHBondContact O-CD2 3.43Å; R12-F245 HydrophobicContact CB-CE1 3.83Å; R12-F245 HydrophobicContact CG-CE1 4.35Å; R12-V260 HydrophobicContact CB-CG2 4.01Å; R12-V260 HydrophobicContact CG-CG2 4.41Å
13	V	89.9	Confident	76.4	Confident	128 Å²	128	94.4 Å²	94.4	78%	0.776	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-72.6	126.4	169.3	-176.1	0	0	0	0	109.2	A11	A11-V13 PolarHBondContact O-N 3.31Å
14	L	92.3	Very high	79	Confident	17 Å²	17	96.9 Å²	96.9	9%	0.089	49%	0.489	C	S	.	.	P	Polyproline II helix	trans	-82	152.1	176	-69.9	-176.6	0	0	0	111	R12 E18 E19 L22 Y193 L198	R12-L14 PolarHBondContact O-N 2.79Å; L14-E18 HydrophobicContact CB-CB 4.12Å; L14-E18 HydrophobicContact CD1-CB 4.42Å; L14-E18 HydrophobicContact CD2-CB 3.9Å; L14-E18 HydrophobicContact CG-CB 4.38Å; L14-E19 HydrophobicContact CB-CG 3.63Å; L14-E19 HydrophobicContact CD1-CG 4.01Å; L14-E19 HydrophobicContact CG-CG 4.48Å; L14-L22 HydrophobicContact CD1-CD1 3.68Å; L14-Y193 HydrophobicContact CD1-CD1 3.64Å; L14-Y193 HydrophobicContact CD1-CD2 4.36Å; L14-Y193 HydrophobicContact CD1-CE1 3.63Å; L14-Y193 HydrophobicContact CD1-CE2 4.33Å; L14-Y193 HydrophobicContact CD1-CG 4.01Å; L14-Y193 HydrophobicContact CD2-CD1 4.03Å; L14-Y193 HydrophobicContact CD2-CD2 4.28Å; L14-Y193 HydrophobicContact CD2-CG 3.73Å; L14-Y193 HydrophobicContact CG-CD1 4Å; L14-Y193 HydrophobicContact CG-CD2 4Å; L14-Y193 HydrophobicContact CG-CE1 4.3Å; L14-Y193 HydrophobicContact CG-CE2 4.27Å; L14-Y193 HydrophobicContact CG-CG 3.83Å; L14-L198 HydrophobicContact CD2-CD1 4.22Å; L14-L198 HydrophobicContact CD2-CD2 4.3Å
15	S	93.1	Very high	81.5	Confident	54 Å²	54	90.1 Å²	90.1	38%	0.378	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-71.7	157.1	161.8	61.4	0	0	0	0	110.6	E17 E18 E19	S15-E17 PolarHBondContact O-N 3.1Å; S15-E17 VanDerWaalsContact O-N 3.13Å; S15-E18 WeakPolarHBondContact CB-OE2 3.37Å; S15-E18 PolarHBondContact N-OE2 2.99Å; S15-E18 PolarHBondContact O-N 3.2Å; S15-E18 VanDerWaalsContact OG-CD 3.3Å; S15-E18 VanDerWaalsContact OG-CG 3.25Å; S15-E18 WeakPolarHBondContact OG-CG 3.45Å; S15-E18 PolarHBondContact OG-N 3.11Å; S15-E18 PolarHBondContact OG-OE2 3.17Å; S15-E19 PolarHBondContact O-N 3.05Å
16	S	94.6	Very high	83.7	Confident	96 Å²	96	94 Å²	94	67%	0.671	45%	0.453	S	S	*	.	H	α-helix	trans	-54.8	-34	175.8	-50.7	0	0	0	0	112.7	E20	S16-E20 WeakPolarHBondContact O-CB 3.41Å; S16-E20 VanDerWaalsContact O-CG 3.31Å; S16-E20 WeakPolarHBondContact O-CG 3.4Å; S16-E20 PolarHBondContact O-N 3.09Å
17	E	93.9	Very high	85.6	Confident	156 Å²	156	92.6 Å²	92.6	73%	0.729	46%	0.458	S	S	*	.	H	α-helix	trans	-68.1	-44.6	176.9	-172.8	-176	171.4	0	0	112.3	S15 E20 K21	S15-E17 PolarHBondContact O-N 3.1Å; S15-E17 VanDerWaalsContact O-N 3.13Å; E17-E20 PolarHBondContact O-N 3.08Å; E17-K21 WeakPolarHBondContact O-CB 3.31Å; E17-K21 PolarHBondContact O-N 2.91Å
18	E	94.2	Very high	87.9	Confident	39 Å²	39	86.7 Å²	86.7	18%	0.182	44%	0.436	C	S	.	.	H	α-helix	trans	-64.3	-41.2	177.2	-71	164.8	135.1	0	0	111.2	R12 L14 S15 K21 L22 L198	R12-E18 IonicContact CZ-OE1 2.76Å; R12-E18 IonicContact NH1-OE1 2.88Å; R12-E18 IonicContact NH2-OE1 3.71Å; R12-E18 PolarHBondContact NH2-OE1 3.39Å; R12-E18 IonicContact NH2-OE2 3.52Å; R12-E18 PolarHBondContact NH2-OE2 3.44Å; L14-E18 HydrophobicContact CB-CB 4.12Å; L14-E18 HydrophobicContact CD1-CB 4.42Å; L14-E18 HydrophobicContact CD2-CB 3.9Å; L14-E18 HydrophobicContact CG-CB 4.38Å; S15-E18 WeakPolarHBondContact CB-OE2 3.37Å; S15-E18 PolarHBondContact N-OE2 2.99Å; S15-E18 PolarHBondContact O-N 3.2Å; S15-E18 VanDerWaalsContact OG-CD 3.3Å; S15-E18 VanDerWaalsContact OG-CG 3.25Å; S15-E18 WeakPolarHBondContact OG-CG 3.45Å; S15-E18 PolarHBondContact OG-N 3.11Å; S15-E18 PolarHBondContact OG-OE2 3.17Å; E18-K21 WeakPolarHBondContact O-CB 3.33Å; E18-K21 PolarHBondContact O-N 2.77Å; E18-L22 PolarHBondContact O-N 2.84Å; E18-L198 HydrophobicContact CB-CD1 4.43Å; E18-L198 HydrophobicContact CB-CD2 4.17Å; E18-L198 HydrophobicContact CG-CD1 3.91Å; E18-L198 HydrophobicContact CG-CD2 4.39Å; E18-L198 WeakPolarHBondContact OE1-CD1 3.42Å
19	E	93.6	Very high	89.9	Confident	77 Å²	77	85.5 Å²	85.5	36%	0.36	42%	0.423	S	S	.	.	H	α-helix	trans	-60.1	-51.9	174.3	-71.3	-173.4	-172.5	0	0	111.8	L14 S15 K21 L22 K23	L14-E19 HydrophobicContact CB-CG 3.63Å; L14-E19 HydrophobicContact CD1-CG 4.01Å; L14-E19 HydrophobicContact CG-CG 4.48Å; S15-E19 PolarHBondContact O-N 3.05Å; E19-K21 PolarHBondContact O-N 2.83Å; E19-L22 PolarHBondContact O-N 2.74Å; E19-L22 VanDerWaalsContact O-N 3.17Å; E19-K23 WeakPolarHBondContact O-CB 3.48Å; E19-K23 WeakPolarHBondContact O-CG 3.18Å; E19-K23 PolarHBondContact O-N 2.96Å; E19-K23 IonicContact OE2-NZ 3.45Å
20	E	93.6	Very high	91.6	Very high	82 Å²	82	83.9 Å²	83.9	38%	0.383	42%	0.42	S	S	.	.	H	α-helix	trans	-63.3	-34	-179.6	-74.1	-52.5	127	0	0	111.8	S16 E17 K23 R24	S16-E20 WeakPolarHBondContact O-CB 3.41Å; S16-E20 VanDerWaalsContact O-CG 3.31Å; S16-E20 WeakPolarHBondContact O-CG 3.4Å; S16-E20 PolarHBondContact O-N 3.09Å; E17-E20 PolarHBondContact O-N 3.08Å; E20-K23 WeakPolarHBondContact OE1-CD 3.41Å; E20-K23 IonicContact OE1-NZ 3.48Å; E20-K23 PolarHBondContact OE1-NZ 3.11Å; E20-R24 WeakPolarHBondContact O-CB 3.42Å; E20-R24 VanDerWaalsContact O-CG 3.27Å; E20-R24 WeakPolarHBondContact O-CG 3.41Å; E20-R24 PolarHBondContact O-N 3.27Å
21	K	92.3	Very high	92.5	Very high	89 Å²	89	81.9 Å²	81.9	39%	0.387	42%	0.415	S	S	.	.	H	α-helix	trans	-60.9	-50	172.3	-179.1	179.2	-178.2	171.7	0	111.7	E17 E18 E19 R24 D25 L198	E17-K21 WeakPolarHBondContact O-CB 3.31Å; E17-K21 PolarHBondContact O-N 2.91Å; E18-K21 WeakPolarHBondContact O-CB 3.33Å; E18-K21 PolarHBondContact O-N 2.77Å; E19-K21 PolarHBondContact O-N 2.83Å; K21-R24 PolarHBondContact O-N 3.12Å; K21-D25 PolarHBondContact O-N 3.34Å; K21-L198 WeakPolarHBondContact CE-O 3.24Å; K21-L198 PolarHBondContact NZ-O 2.88Å
22	L	91.9	Very high	93.3	Very high	30 Å²	30	88.6 Å²	88.6	16%	0.157	44%	0.44	C	S	.	.	H	α-helix	trans	-66	-38.8	179.5	-70.3	-178.7	0	0	0	111.9	L14 E18 E19 R24 D25 Y193 M197 L198	L14-L22 HydrophobicContact CD1-CD1 3.68Å; E18-L22 PolarHBondContact O-N 2.84Å; E19-L22 PolarHBondContact O-N 2.74Å; E19-L22 VanDerWaalsContact O-N 3.17Å; L22-R24 VanDerWaalsContact C-N 3.28Å; L22-R24 PolarHBondContact O-N 2.87Å; L22-D25 PolarHBondContact O-N 3.2Å; L22-Y193 HydrophobicContact CD1-CD1 3.83Å; L22-Y193 HydrophobicContact CD1-CE1 3.8Å; L22-M197 HydrophobicContact CD1-CE 4.2Å; L22-M197 HydrophobicContact CD2-CE 4.15Å; L22-L198 HydrophobicContact CD1-CD2 3.86Å; L22-L198 HydrophobicContact CD2-CD2 4.08Å; L22-L198 HydrophobicContact CG-CD2 3.93Å
23	K	91.1	Very high	93.6	Very high	101 Å²	101	91.2 Å²	91.2	44%	0.439	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-33.4	175.9	-73.3	173.7	-164.8	162	0	113	E19 E20 R26	E19-K23 WeakPolarHBondContact O-CB 3.48Å; E19-K23 WeakPolarHBondContact O-CG 3.18Å; E19-K23 PolarHBondContact O-N 2.96Å; E19-K23 IonicContact OE2-NZ 3.45Å; E20-K23 WeakPolarHBondContact OE1-CD 3.41Å; E20-K23 IonicContact OE1-NZ 3.48Å; E20-K23 PolarHBondContact OE1-NZ 3.11Å; K23-R26 WeakPolarHBondContact O-CG 3.36Å; K23-R26 PolarHBondContact O-NE 3.37Å
24	R	90.9	Very high	94	Very high	166 Å²	166	87 Å²	87	63%	0.626	42%	0.424	S	S	*	.	H	α-helix	trans	-76.3	-25.3	176.1	-74.7	-172.8	-61.3	-106.6	3.1	113.2	E20 K21 L22 R26	E20-R24 WeakPolarHBondContact O-CB 3.42Å; E20-R24 VanDerWaalsContact O-CG 3.27Å; E20-R24 WeakPolarHBondContact O-CG 3.41Å; E20-R24 PolarHBondContact O-N 3.27Å; K21-R24 PolarHBondContact O-N 3.12Å; L22-R24 VanDerWaalsContact C-N 3.28Å; L22-R24 PolarHBondContact O-N 2.87Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 3.4Å
25	D	89	Confident	94.2	Very high	17 Å²	17	91.6 Å²	91.6	9%	0.091	45%	0.445	C	S	.	.			trans	-80.7	78.3	-179.1	-169.1	27	0	0	0	111.9	K21 L22 K205 Y211	K21-D25 PolarHBondContact O-N 3.34Å; L22-D25 PolarHBondContact O-N 3.2Å; D25-K205 VanDerWaalsContact O-CD 3.26Å; D25-K205 WeakPolarHBondContact O-CD 3.38Å; D25-K205 PolarHBondContact O-NZ 3.32Å; D25-Y211 WeakPolarHBondContact OD2-CE1 3.29Å
26	R	88.1	Confident	94.5	Very high	202 Å²	202	93.7 Å²	93.7	76%	0.762	45%	0.447	S	S	*	.			trans	-106.2	-15.9	-178.9	-59.9	-175.1	179.5	-161.4	-4	113.6	K23 R24 L28	K23-R26 WeakPolarHBondContact O-CG 3.36Å; K23-R26 PolarHBondContact O-NE 3.37Å; R24-R26 VanDerWaalsContact C-N 3.33Å; R24-R26 PolarHBondContact O-N 3.4Å; R26-L28 PolarHBondContact O-N 3.02Å
27	T	92.9	Very high	94.6	Very high	95 Å²	95	89.8 Å²	89.8	58%	0.583	42%	0.419	S	S	*	.			trans	-79.6	112.4	-173.3	-52.8	0	0	0	0	110.5
28	L	96.9	Very high	94.8	Very high	88 Å²	88	84.5 Å²	84.5	46%	0.461	39%	0.394	S	S	.	.	B	Isolated β-bridge	trans	-74.5	150.7	172.3	-58.9	-177.4	0	0	0	111.1	R26 K205	R26-L28 PolarHBondContact O-N 3.02Å; L28-K205 CarbonylContact C-O 3.55Å; L28-K205 WeakPolarHBondContact CA-O 3.3Å; L28-K205 HydrophobicContact CD2-CB 4.32Å; L28-K205 HydrophobicContact CD2-CD 4.33Å; L28-K205 HydrophobicContact CD2-CG 3.89Å
29	V	97.3	Very high	95	Very high	8 Å²	8	89.2 Å²	89.2	5%	0.048	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-58.1	138.4	162.4	171.4	0	0	0	0	108.6	K33 Q34 G203 K205 L206 V212	V29-K33 HydrophobicContact CG1-CB 3.57Å; V29-K33 HydrophobicContact CG1-CD 3.64Å; V29-K33 HydrophobicContact CG1-CG 3.55Å; V29-Q34 HydrophobicContact CB-CG 4.04Å; V29-Q34 HydrophobicContact CG1-CG 3.96Å; V29-Q34 WeakPolarHBondContact O-CG 3.42Å; V29-Q34 PolarHBondContact O-NE2 3.36Å; V29-G203 WeakPolarHBondContact CG2-O 3.45Å; V29-K205 WeakPolarHBondContact CG2-O 3.29Å; V29-K205 PolarHBondContact N-O 3.3Å; V29-L206 HydrophobicContact CB-CD2 3.97Å; V29-L206 HydrophobicContact CG1-CD2 4.3Å; V29-L206 HydrophobicContact CG2-CD2 4.03Å; V29-V212 HydrophobicContact CG2-CG1 4.16Å
30	S	97.2	Very high	95.2	Very high	72 Å²	72	88 Å²	88	50%	0.503	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-53.8	142.4	178.5	60.4	0	0	0	0	112.4	F32 K33 Q34	S30-F32 VanDerWaalsContact C-N 3.27Å; S30-F32 PolarHBondContact O-N 3.17Å; S30-F32 VanDerWaalsContact O-N 3.16Å; S30-K33 WeakPolarHBondContact O-CA 3.25Å; S30-K33 PolarHBondContact O-N 3.4Å; S30-K33 WeakPolarHBondContact OG-CB 3.41Å; S30-Q34 PolarHBondContact O-N 3.49Å
31	D	97.3	Very high	95.4	Very high	130 Å²	130	84.5 Å²	84.5	70%	0.695	40%	0.395	S	S	*	.	H	α-helix	trans	-51.4	-42.9	-178.6	-58.7	-15.4	0	0	0	113.3	K33 Q34 H35	D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 2.94Å; D31-Q34 PolarHBondContact O-N 3.09Å; D31-Q34 VanDerWaalsContact O-N 3.14Å; D31-H35 WeakPolarHBondContact O-CB 3.41Å; D31-H35 PolarHBondContact O-N 2.93Å
32	F	97.9	Very high	95.7	Very high	169 Å²	169	83.9 Å²	83.9	74%	0.741	39%	0.394	S	S	*	.	H	α-helix	trans	-54.3	-44.9	175.3	174.9	-98.1	0	0	0	112.5	S30 K36	S30-F32 VanDerWaalsContact C-N 3.27Å; S30-F32 PolarHBondContact O-N 3.17Å; S30-F32 VanDerWaalsContact O-N 3.16Å; F32-K36 WeakPolarHBondContact O-CB 3.47Å; F32-K36 PolarHBondContact O-N 2.69Å
33	K	97.4	Very high	96	Very high	99 Å²	99	87.7 Å²	87.7	43%	0.43	41%	0.409	S	S	.	.	H	α-helix	trans	-73.4	-36.5	178.9	-178.8	172.4	170.2	-169.5	0	111.4	V29 S30 D31 K36 L37	V29-K33 HydrophobicContact CG1-CB 3.57Å; V29-K33 HydrophobicContact CG1-CD 3.64Å; V29-K33 HydrophobicContact CG1-CG 3.55Å; S30-K33 WeakPolarHBondContact O-CA 3.25Å; S30-K33 PolarHBondContact O-N 3.4Å; S30-K33 WeakPolarHBondContact OG-CB 3.41Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 2.94Å; K33-K36 PolarHBondContact O-N 2.91Å; K33-L37 HydrophobicContact CG-CD1 4.09Å; K33-L37 HydrophobicContact CG-CG 4.4Å; K33-L37 WeakPolarHBondContact O-CB 3.3Å; K33-L37 WeakPolarHBondContact O-CD1 3.35Å; K33-L37 WeakPolarHBondContact O-CG 3.46Å; K33-L37 PolarHBondContact O-N 2.83Å
34	Q	98.2	Very high	96.3	Very high	41 Å²	41	83.6 Å²	83.6	19%	0.192	39%	0.392	C	S	.	.	H	α-helix	trans	-61.2	-47.6	173.7	-60.5	-163.1	41.2	0	0	111.4	V29 S30 D31 K36 L37 E38 L206	V29-Q34 HydrophobicContact CB-CG 4.04Å; V29-Q34 HydrophobicContact CG1-CG 3.96Å; V29-Q34 WeakPolarHBondContact O-CG 3.42Å; V29-Q34 PolarHBondContact O-NE2 3.36Å; S30-Q34 PolarHBondContact O-N 3.49Å; D31-Q34 PolarHBondContact O-N 3.09Å; D31-Q34 VanDerWaalsContact O-N 3.14Å; Q34-K36 PolarHBondContact O-N 2.71Å; Q34-L37 WeakPolarHBondContact O-CB 2.95Å; Q34-L37 PolarHBondContact O-N 3.49Å; Q34-E38 PolarHBondContact O-N 3.29Å; Q34-L206 HydrophobicContact CG-CD2 3.96Å; Q34-L206 PolarHBondContact OE1-O 2.96Å
35	H	97.8	Very high	96.7	Very high	113 Å²	113	77.9 Å²	77.9	52%	0.523	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-45.2	177	-172.9	72.2	0	0	0	111.8	D31 L37 E38 Q39	D31-H35 WeakPolarHBondContact O-CB 3.41Å; D31-H35 PolarHBondContact O-N 2.93Å; H35-L37 PolarHBondContact O-N 3.37Å; H35-E38 PolarHBondContact O-N 3.43Å; H35-Q39 PolarHBondContact NE2-NE2 2.75Å; H35-Q39 WeakPolarHBondContact O-CG 3.35Å; H35-Q39 PolarHBondContact O-N 2.79Å
36	K	98.1	Very high	97.1	Very high	98 Å²	98	78.7 Å²	78.7	43%	0.426	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-43.6	175	-177.7	173.4	178.3	174.1	0	112.3	F32 K33 Q34 E38 Q39 E40	F32-K36 WeakPolarHBondContact O-CB 3.47Å; F32-K36 PolarHBondContact O-N 2.69Å; K33-K36 PolarHBondContact O-N 2.91Å; Q34-K36 PolarHBondContact O-N 2.71Å; K36-E38 VanDerWaalsContact C-N 3.3Å; K36-E38 PolarHBondContact O-N 3.37Å; K36-Q39 PolarHBondContact O-N 3.43Å; K36-E40 WeakPolarHBondContact CE-OE2 3.26Å; K36-E40 HydrophobicContact CG-CG 4.28Å; K36-E40 WeakPolarHBondContact CG-OE2 3.22Å; K36-E40 WeakPolarHBondContact O-CB 3.39Å; K36-E40 WeakPolarHBondContact O-CG 3.16Å; K36-E40 PolarHBondContact O-N 3Å
37	L	98.1	Very high	97.6	Very high	14 Å²	14	71.4 Å²	71.4	7%	0.073	35%	0.351	C	S	.	.	H	α-helix	trans	-62.7	-37.5	178.4	-75	164.9	0	0	0	112.3	K33 Q34 H35 A41 L206 V212	K33-L37 HydrophobicContact CG-CD1 4.09Å; K33-L37 HydrophobicContact CG-CG 4.4Å; K33-L37 WeakPolarHBondContact O-CB 3.3Å; K33-L37 WeakPolarHBondContact O-CD1 3.35Å; K33-L37 WeakPolarHBondContact O-CG 3.46Å; K33-L37 PolarHBondContact O-N 2.83Å; Q34-L37 WeakPolarHBondContact O-CB 2.95Å; Q34-L37 PolarHBondContact O-N 3.49Å; H35-L37 PolarHBondContact O-N 3.37Å; L37-A41 WeakPolarHBondContact O-CA 3.34Å; L37-A41 PolarHBondContact O-N 2.63Å; L37-A41 VanDerWaalsContact O-N 3.09Å; L37-L206 HydrophobicContact CD1-CD2 3.81Å; L37-V212 HydrophobicContact CD1-CB 4.08Å; L37-V212 HydrophobicContact CD1-CG1 4.19Å; L37-V212 HydrophobicContact CD1-CG2 3.66Å; L37-V212 HydrophobicContact CD2-CG2 3.73Å; L37-V212 HydrophobicContact CG-CG2 4.33Å
38	E	97.9	Very high	97.8	Very high	45 Å²	45	67.4 Å²	67.4	21%	0.21	33%	0.325	C	S	.	.	H	α-helix	trans	-68.6	-46.8	175.3	179.1	57.2	-156.3	0	0	111.6	Q34 H35 K36 E40 A41 K167 R218	Q34-E38 PolarHBondContact O-N 3.29Å; H35-E38 PolarHBondContact O-N 3.43Å; K36-E38 VanDerWaalsContact C-N 3.3Å; K36-E38 PolarHBondContact O-N 3.37Å; E38-E40 VanDerWaalsContact C-N 3.33Å; E38-E40 PolarHBondContact O-N 3.28Å; E38-A41 WeakPolarHBondContact O-CB 3.44Å; E38-A41 PolarHBondContact O-N 2.91Å; E38-K167 WeakPolarHBondContact OE1-CE 3.38Å; E38-K167 IonicContact OE1-NZ 3.53Å; E38-K167 PolarHBondContact OE1-NZ 2.99Å; E38-R218 IonicContact OE2-CZ 3.98Å; E38-R218 VanDerWaalsContact OE2-CZ 3.24Å; E38-R218 IonicContact OE2-NH1 3.98Å; E38-R218 PolarHBondContact OE2-NH1 2.9Å; E38-R218 IonicContact OE2-NH2 2.93Å; E38-R218 PolarHBondContact OE2-NH2 3.49Å
39	Q	97.8	Very high	97.8	Very high	138 Å²	138	63.9 Å²	63.9	65%	0.645	31%	0.306	S	S	*	.	H	α-helix	trans	-62.7	-39	177	-72.7	-173.3	-15.7	0	0	112.7	H35 K36	H35-Q39 PolarHBondContact NE2-NE2 2.75Å; H35-Q39 WeakPolarHBondContact O-CG 3.35Å; H35-Q39 PolarHBondContact O-N 2.79Å; K36-Q39 PolarHBondContact O-N 3.43Å
40	E	98	Very high	97.8	Very high	52 Å²	52	69.6 Å²	69.6	24%	0.243	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	11.9	-178.2	-63	-167.8	129.3	0	0	113.3	K36 E38 Q42 K43 N44	K36-E40 WeakPolarHBondContact CE-OE2 3.26Å; K36-E40 HydrophobicContact CG-CG 4.28Å; K36-E40 WeakPolarHBondContact CG-OE2 3.22Å; K36-E40 WeakPolarHBondContact O-CB 3.39Å; K36-E40 WeakPolarHBondContact O-CG 3.16Å; K36-E40 PolarHBondContact O-N 3Å; E38-E40 VanDerWaalsContact C-N 3.33Å; E38-E40 PolarHBondContact O-N 3.28Å; E40-Q42 VanDerWaalsContact C-N 3.31Å; E40-Q42 PolarHBondContact O-N 2.98Å; E40-K43 HydrophobicContact CB-CB 4.43Å; E40-K43 HydrophobicContact CB-CD 4.49Å; E40-K43 HydrophobicContact CG-CD 4.44Å; E40-K43 WeakPolarHBondContact O-CB 3.42Å; E40-K43 PolarHBondContact O-N 2.89Å; E40-K43 IonicContact OE1-NZ 3.53Å; E40-K43 PolarHBondContact OE1-NZ 2.75Å; E40-N44 PolarHBondContact O-N 2.9Å; E40-N44 PolarHBondContact O-ND2 3.03Å
41	A	98.1	Very high	97.8	Very high	8 Å²	8	73.8 Å²	73.8	7%	0.066	34%	0.335	C	S	.	.	H	α-helix	trans	-55	-43.9	-173.6	0	0	0	0	0	112.8	L37 E38 N44 W45 F111	L37-A41 WeakPolarHBondContact O-CA 3.34Å; L37-A41 PolarHBondContact O-N 2.63Å; L37-A41 VanDerWaalsContact O-N 3.09Å; E38-A41 WeakPolarHBondContact O-CB 3.44Å; E38-A41 PolarHBondContact O-N 2.91Å; A41-N44 PolarHBondContact O-N 2.9Å; A41-W45 PolarHBondContact O-N 3.38Å; A41-F111 HydrophobicContact CB-CE1 3.84Å; A41-F111 HydrophobicContact CB-CZ 4.34Å
42	Q	98.2	Very high	97.7	Very high	76 Å²	76	69.9 Å²	69.9	36%	0.355	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-46.4	176.8	-170.4	-179.1	83.4	0	0	111.5	E40 N44 W45 D46 F111 Q134	E40-Q42 VanDerWaalsContact C-N 3.31Å; E40-Q42 PolarHBondContact O-N 2.98Å; Q42-N44 VanDerWaalsContact C-N 3.3Å; Q42-N44 PolarHBondContact O-N 3.43Å; Q42-W45 PolarHBondContact O-N 2.88Å; Q42-D46 PolarHBondContact O-N 2.74Å; Q42-F111 HydrophobicContact CB-CD1 4.27Å; Q42-F111 HydrophobicContact CB-CD2 4.27Å; Q42-F111 HydrophobicContact CB-CE1 3.75Å; Q42-F111 HydrophobicContact CB-CE2 3.71Å; Q42-F111 HydrophobicContact CB-CZ 3.44Å; Q42-F111 VanDerWaalsContact CB-CZ 3.44Å; Q42-F111 HydrophobicContact CG-CD2 4.09Å; Q42-F111 HydrophobicContact CG-CE1 4.44Å; Q42-F111 HydrophobicContact CG-CE2 3.95Å; Q42-F111 HydrophobicContact CG-CG 4.38Å; Q42-F111 HydrophobicContact CG-CZ 4.17Å; Q42-F111 WeakPolarHBondContact CG-O 3.37Å; Q42-F111 PolarHBondContact NE2-O 2.95Å; Q42-Q134 VanDerWaalsContact NE2-NE2 3.14Å
43	K	98.1	Very high	97.5	Very high	110 Å²	110	63.9 Å²	63.9	48%	0.478	29%	0.293	S	S	.	.	H	α-helix	trans	-62.1	-38.5	179.8	175.2	-177.1	170.6	-171.8	0	111.4	E40 D46 L47	E40-K43 HydrophobicContact CB-CB 4.43Å; E40-K43 HydrophobicContact CB-CD 4.49Å; E40-K43 HydrophobicContact CG-CD 4.44Å; E40-K43 WeakPolarHBondContact O-CB 3.42Å; E40-K43 PolarHBondContact O-N 2.89Å; E40-K43 IonicContact OE1-NZ 3.53Å; E40-K43 PolarHBondContact OE1-NZ 2.75Å; K43-D46 PolarHBondContact O-N 2.86Å; K43-L47 HydrophobicContact CG-CD1 4.19Å; K43-L47 HydrophobicContact CG-CG 4.5Å; K43-L47 WeakPolarHBondContact O-CB 3.37Å; K43-L47 VanDerWaalsContact O-CG 3.27Å; K43-L47 WeakPolarHBondContact O-CG 3.33Å; K43-L47 PolarHBondContact O-N 2.98Å
44	N	98.3	Very high	97.3	Very high	15 Å²	15	62 Å²	62	8%	0.08	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-42.1	177.1	-67.4	-28.3	0	0	0	111.3	E40 A41 Q42 F48 G216	E40-N44 PolarHBondContact O-N 2.9Å; E40-N44 PolarHBondContact O-ND2 3.03Å; A41-N44 PolarHBondContact O-N 2.9Å; Q42-N44 VanDerWaalsContact C-N 3.3Å; Q42-N44 PolarHBondContact O-N 3.43Å; N44-F48 WeakPolarHBondContact O-CB 3.41Å; N44-F48 PolarHBondContact O-N 3.22Å; N44-G216 PolarHBondContact ND2-O 2.82Å
45	W	98.1	Very high	96.9	Very high	46 Å²	46	66.8 Å²	66.8	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-66.1	-42.8	172.6	-80.9	111.3	0	0	0	112.7	A41 Q42 L47 F48 Y49 A162 T217	A41-W45 PolarHBondContact O-N 3.38Å; Q42-W45 PolarHBondContact O-N 2.88Å; W45-L47 VanDerWaalsContact C-N 3.33Å; W45-L47 PolarHBondContact O-N 3.34Å; W45-F48 HydrophobicContact CE3-CB 4.44Å; W45-F48 HydrophobicContact CE3-CD1 4.01Å; W45-F48 HydrophobicContact CE3-CG 4.32Å; W45-F48 AromaticContact CZ3-CD1 4Å; W45-F48 HydrophobicContact CZ3-CD1 4Å; W45-F48 HydrophobicContact CZ3-CE1 4.22Å; W45-F48 HydrophobicContact CZ3-CG 4.39Å; W45-F48 WeakPolarHBondContact O-CB 3.47Å; W45-F48 PolarHBondContact O-N 3.09Å; W45-F48 VanDerWaalsContact O-N 3.14Å; W45-Y49 AromaticContact CE3-CE2 3.91Å; W45-Y49 HydrophobicContact CE3-CE2 3.91Å; W45-Y49 WeakPolarHBondContact O-CD2 3.34Å; W45-Y49 PolarHBondContact O-N 3.31Å; W45-A162 HydrophobicContact CZ2-CB 3.52Å; W45-T217 HydrophobicContact CD2-CG2 3.97Å; W45-T217 HydrophobicContact CE3-CG2 4.09Å; W45-T217 HydrophobicContact CG-CG2 4.49Å; W45-T217 HydrophobicContact CH2-CG2 4.37Å; W45-T217 HydrophobicContact CZ2-CG2 4.24Å; W45-T217 HydrophobicContact CZ3-CG2 4.3Å
46	D	97.4	Very high	96.4	Very high	33 Å²	33	66.7 Å²	66.7	18%	0.176	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-43.4	175.8	-173.8	60	0	0	0	111.9	Q42 K43 F48 Y49 K50 R114	Q42-D46 PolarHBondContact O-N 2.74Å; K43-D46 PolarHBondContact O-N 2.86Å; D46-F48 VanDerWaalsContact C-N 3.34Å; D46-Y49 PolarHBondContact O-N 2.87Å; D46-K50 WeakPolarHBondContact O-CB 3.37Å; D46-K50 PolarHBondContact O-N 2.94Å; D46-R114 PolarHBondContact O-NE 2.88Å; D46-R114 WeakPolarHBondContact OD1-CB 3.44Å; D46-R114 IonicContact OD1-CZ 2.96Å; D46-R114 IonicContact OD1-NE 3.63Å; D46-R114 PolarHBondContact OD1-NE 2.78Å; D46-R114 IonicContact OD1-NH2 2.71Å; D46-R114 IonicContact OD2-CZ 3.24Å; D46-R114 IonicContact OD2-NE 2.66Å; D46-R114 PolarHBondContact OD2-NE 3.01Å; D46-R114 IonicContact OD2-NH2 3.58Å; D46-R114 PolarHBondContact OD2-NH2 2.84Å
47	L	97.9	Very high	95.9	Very high	50 Å²	50	65.2 Å²	65.2	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-65.6	-36.7	175.6	-73.1	175.1	0	0	0	112.4	K43 W45 K50 R51	K43-L47 HydrophobicContact CG-CD1 4.19Å; K43-L47 HydrophobicContact CG-CG 4.5Å; K43-L47 WeakPolarHBondContact O-CB 3.37Å; K43-L47 VanDerWaalsContact O-CG 3.27Å; K43-L47 WeakPolarHBondContact O-CG 3.33Å; K43-L47 PolarHBondContact O-N 2.98Å; W45-L47 VanDerWaalsContact C-N 3.33Å; W45-L47 PolarHBondContact O-N 3.34Å; L47-K50 HydrophobicContact CD2-CD 4.42Å; L47-K50 PolarHBondContact O-N 3.18Å; L47-R51 VanDerWaalsContact O-CG 3.26Å; L47-R51 WeakPolarHBondContact O-CG 3.27Å; L47-R51 PolarHBondContact O-N 2.89Å
48	F	97.7	Very high	95.5	Very high	11 Å²	11	73.3 Å²	73.3	5%	0.048	34%	0.343	C	S	.	.	H	α-helix	trans	-58.5	-52.6	172.5	171.3	-88.4	0	0	0	110.4	N44 W45 D46 K50 R51 N52 F56 F57 D215 T217	N44-F48 WeakPolarHBondContact O-CB 3.41Å; N44-F48 PolarHBondContact O-N 3.22Å; W45-F48 HydrophobicContact CE3-CB 4.44Å; W45-F48 HydrophobicContact CE3-CD1 4.01Å; W45-F48 HydrophobicContact CE3-CG 4.32Å; W45-F48 AromaticContact CZ3-CD1 4Å; W45-F48 HydrophobicContact CZ3-CD1 4Å; W45-F48 HydrophobicContact CZ3-CE1 4.22Å; W45-F48 HydrophobicContact CZ3-CG 4.39Å; W45-F48 WeakPolarHBondContact O-CB 3.47Å; W45-F48 PolarHBondContact O-N 3.09Å; W45-F48 VanDerWaalsContact O-N 3.14Å; D46-F48 VanDerWaalsContact C-N 3.34Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.4Å; F48-R51 PolarHBondContact O-N 3Å; F48-N52 VanDerWaalsContact CD2-ND2 3.28Å; F48-N52 WeakPolarHBondContact CD2-ND2 3.33Å; F48-N52 VanDerWaalsContact CE2-ND2 3.3Å; F48-N52 WeakPolarHBondContact CE2-ND2 3.41Å; F48-N52 VanDerWaalsContact O-CB 3.3Å; F48-N52 WeakPolarHBondContact O-CB 3.5Å; F48-N52 PolarHBondContact O-N 3.32Å; F48-N52 PolarHBondContact O-ND2 2.88Å; F48-F56 HydrophobicContact CE2-CD1 4.3Å; F48-F56 HydrophobicContact CE2-CD2 4.31Å; F48-F56 HydrophobicContact CE2-CE1 4.06Å; F48-F56 HydrophobicContact CE2-CE2 4.07Å; F48-F56 HydrophobicContact CE2-CG 4.4Å; F48-F56 AromaticContact CE2-CZ 3.94Å; F48-F56 HydrophobicContact CE2-CZ 3.94Å; F48-F56 HydrophobicContact CZ-CB 4.43Å; F48-F56 AromaticContact CZ-CD1 3.55Å; F48-F56 HydrophobicContact CZ-CD1 3.55Å; F48-F56 HydrophobicContact CZ-CD2 4.13Å; F48-F56 AromaticContact CZ-CE1 3.68Å; F48-F56 HydrophobicContact CZ-CE1 3.68Å; F48-F56 HydrophobicContact CZ-CE2 4.23Å; F48-F56 AromaticContact CZ-CG 3.78Å; F48-F56 HydrophobicContact CZ-CG 3.78Å; F48-F56 HydrophobicContact CZ-CZ 4.02Å; F48-F57 AromaticContact CE1-CE2 3.85Å; F48-F57 HydrophobicContact CE1-CE2 3.85Å; F48-F57 HydrophobicContact CE1-CZ 4.42Å; F48-F57 AromaticContact CZ-CE2 3.85Å; F48-F57 HydrophobicContact CZ-CE2 3.85Å; F48-F57 HydrophobicContact CZ-CZ 4.03Å; F48-D215 WeakPolarHBondContact CD2-OD2 3.24Å; F48-T217 HydrophobicContact CB-CG2 4.16Å
49	Y	97.9	Very high	95.2	Very high	13 Å²	13	75.3 Å²	75.3	5%	0.051	36%	0.356	C	S	.	.	H	α-helix	trans	-65.2	-34.6	178.3	-71.3	-67.2	0	0	0	112.3	W45 D46 R51 N52 S53 G89 V90 S112 A115	W45-Y49 AromaticContact CE3-CE2 3.91Å; W45-Y49 HydrophobicContact CE3-CE2 3.91Å; W45-Y49 WeakPolarHBondContact O-CD2 3.34Å; W45-Y49 PolarHBondContact O-N 3.31Å; D46-Y49 PolarHBondContact O-N 2.87Å; Y49-R51 VanDerWaalsContact C-N 3.3Å; Y49-R51 PolarHBondContact O-N 3.28Å; Y49-N52 PolarHBondContact O-N 3.21Å; Y49-S53 WeakPolarHBondContact O-CA 3.19Å; Y49-S53 PolarHBondContact O-N 3.32Å; Y49-G89 VanDerWaalsContact OH-CA 3.24Å; Y49-G89 WeakPolarHBondContact OH-CA 3.39Å; Y49-V90 HydrophobicContact CD1-CG1 3.71Å; Y49-V90 HydrophobicContact CE1-CG1 3.81Å; Y49-S112 WeakPolarHBondContact CD2-OG 3.42Å; Y49-A115 HydrophobicContact CD1-CB 4.25Å; Y49-A115 HydrophobicContact CD2-CB 3.77Å; Y49-A115 HydrophobicContact CE1-CB 4.14Å; Y49-A115 HydrophobicContact CE2-CB 3.63Å; Y49-A115 HydrophobicContact CG-CB 4.08Å
50	K	96.8	Very high	95	Very high	129 Å²	129	70.6 Å²	70.6	56%	0.561	33%	0.332	S	S	*	.	H	α-helix	trans	-60.1	-40.6	174.7	-174.7	178.8	177.2	177.5	0	112.3	D46 L47 F48 R114	D46-K50 WeakPolarHBondContact O-CB 3.37Å; D46-K50 PolarHBondContact O-N 2.94Å; L47-K50 HydrophobicContact CD2-CD 4.42Å; L47-K50 PolarHBondContact O-N 3.18Å; F48-K50 VanDerWaalsContact C-N 3.31Å; F48-K50 PolarHBondContact O-N 3.4Å; K50-R114 VanDerWaalsContact N-CD 3.32Å
51	R	96.4	Very high	94.5	Very high	159 Å²	159	72.8 Å²	72.8	60%	0.6	34%	0.342	S	S	*	.	H	α-helix	trans	-76.2	-35.1	-178.4	-71.2	167.8	-177.9	162.4	2.9	112.3	L47 F48 Y49	L47-R51 VanDerWaalsContact O-CG 3.26Å; L47-R51 WeakPolarHBondContact O-CG 3.27Å; L47-R51 PolarHBondContact O-N 2.89Å; F48-R51 PolarHBondContact O-N 3Å; Y49-R51 VanDerWaalsContact C-N 3.3Å; Y49-R51 PolarHBondContact O-N 3.28Å
52	N	95.6	Very high	94	Very high	48 Å²	48	75.6 Å²	75.6	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-104.6	-18.3	-167	-72.1	-61	0	0	0	114.1	F48 Y49 T54 N55 F56	F48-N52 VanDerWaalsContact CD2-ND2 3.28Å; F48-N52 WeakPolarHBondContact CD2-ND2 3.33Å; F48-N52 VanDerWaalsContact CE2-ND2 3.3Å; F48-N52 WeakPolarHBondContact CE2-ND2 3.41Å; F48-N52 VanDerWaalsContact O-CB 3.3Å; F48-N52 WeakPolarHBondContact O-CB 3.5Å; F48-N52 PolarHBondContact O-N 3.32Å; F48-N52 PolarHBondContact O-ND2 2.88Å; Y49-N52 PolarHBondContact O-N 3.21Å; N52-T54 PolarHBondContact O-N 3.47Å; N52-N55 PolarHBondContact O-N 2.74Å; N52-F56 HydrophobicContact CB-CB 3.84Å; N52-F56 HydrophobicContact CB-CD2 4.21Å; N52-F56 HydrophobicContact CB-CG 4.33Å; N52-F56 WeakPolarHBondContact OD1-CD2 3.47Å
53	S	94.9	Very high	93.3	Very high	44 Å²	44	72.1 Å²	72.1	31%	0.308	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-134.4	-174.3	-167	0	0	0	0	111	Y49	Y49-S53 WeakPolarHBondContact O-CA 3.19Å; Y49-S53 PolarHBondContact O-N 3.32Å
54	T	93.1	Very high	92.6	Very high	60 Å²	60	67.3 Å²	67.3	37%	0.368	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	1.6	-178.2	55.3	0	0	0	0	114.7	N52 V90 Y118	N52-T54 PolarHBondContact O-N 3.47Å; T54-V90 HydrophobicContact CG2-CB 4.15Å; T54-V90 HydrophobicContact CG2-CG1 4.32Å; T54-Y118 HydrophobicContact CG2-CD1 4.44Å; T54-Y118 HydrophobicContact CG2-CD2 4.49Å; T54-Y118 HydrophobicContact CG2-CG 4.11Å
55	N	88	Confident	91.9	Very high	140 Å²	140	76.3 Å²	76.3	75%	0.749	35%	0.347	S	S	*	.	S	Bend	trans	-100.5	-2.8	-165.4	-63.3	-54.8	0	0	0	115	N52	N52-N55 PolarHBondContact O-N 2.74Å
56	F	88.6	Confident	91.3	Very high	111 Å²	111	77 Å²	77	49%	0.487	35%	0.353	S	S	.	.	S	Bend	trans	-80.1	-46.3	-171.2	-175.7	-84	0	0	0	113.4	F48 N52	F48-F56 HydrophobicContact CE2-CD1 4.3Å; F48-F56 HydrophobicContact CE2-CD2 4.31Å; F48-F56 HydrophobicContact CE2-CE1 4.06Å; F48-F56 HydrophobicContact CE2-CE2 4.07Å; F48-F56 HydrophobicContact CE2-CG 4.4Å; F48-F56 AromaticContact CE2-CZ 3.94Å; F48-F56 HydrophobicContact CE2-CZ 3.94Å; F48-F56 HydrophobicContact CZ-CB 4.43Å; F48-F56 AromaticContact CZ-CD1 3.55Å; F48-F56 HydrophobicContact CZ-CD1 3.55Å; F48-F56 HydrophobicContact CZ-CD2 4.13Å; F48-F56 AromaticContact CZ-CE1 3.68Å; F48-F56 HydrophobicContact CZ-CE1 3.68Å; F48-F56 HydrophobicContact CZ-CE2 4.23Å; F48-F56 AromaticContact CZ-CG 3.78Å; F48-F56 HydrophobicContact CZ-CG 3.78Å; F48-F56 HydrophobicContact CZ-CZ 4.02Å; N52-F56 HydrophobicContact CB-CB 3.84Å; N52-F56 HydrophobicContact CB-CD2 4.21Å; N52-F56 HydrophobicContact CB-CG 4.33Å; N52-F56 WeakPolarHBondContact OD1-CD2 3.47Å
57	F	87.3	Confident	90.9	Very high	67 Å²	67	75.9 Å²	75.9	29%	0.294	35%	0.346	S	S	.	.	S	Bend	trans	-95.4	146	176.1	-61.9	-67.2	0	0	0	109.8	F48 N92	F48-F57 AromaticContact CE1-CE2 3.85Å; F48-F57 HydrophobicContact CE1-CE2 3.85Å; F48-F57 HydrophobicContact CE1-CZ 4.42Å; F48-F57 AromaticContact CZ-CE2 3.85Å; F48-F57 HydrophobicContact CZ-CE2 3.85Å; F48-F57 HydrophobicContact CZ-CZ 4.03Å; F57-N92 WeakPolarHBondContact CB-OD1 3.38Å; F57-N92 PolarHBondContact O-ND2 2.97Å
58	K	89.1	Confident	90.3	Very high	184 Å²	184	79.7 Å²	79.7	80%	0.8	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-85.4	154.3	171.8	-62	-174.1	179.5	-178.5	0	110.1
59	D	92.8	Very high	89.9	Confident	87 Å²	87	79.8 Å²	79.8	47%	0.465	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-61.9	139.9	172	-64	-28.4	0	0	0	112.1	H61 N92 P96	D59-H61 WeakPolarHBondContact CB-NE2 3.4Å; D59-N92 CarbonylContact C-O 3.49Å; D59-N92 WeakPolarHBondContact CA-O 3.44Å; D59-N92 WeakPolarHBondContact OD1-CA 3.4Å; D59-N92 PolarHBondContact OD1-ND2 3.44Å; D59-P96 HydrophobicContact CB-CG 3.77Å
60	R	92	Very high	89.3	Confident	39 Å²	39	79.3 Å²	79.3	15%	0.147	36%	0.362	C	S	.	.			trans	-102.7	75	-171.2	-65.2	-179.2	176.1	77.1	-7.3	111.2	W62 T63 N92 C93	R60-W62 HydrophobicContact CG-CZ2 4.48Å; R60-W62 PolarHBondContact O-N 3.35Å; R60-W62 VanDerWaalsContact O-N 3.09Å; R60-T63 HydrophobicContact CB-CG2 4.43Å; R60-N92 PolarHBondContact N-O 3.31Å; R60-C93 HydrophobicContact CB-CB 4.48Å
61	H	87.9	Confident	88.6	Confident	98 Å²	98	80.2 Å²	80.2	45%	0.454	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	16.5	175.5	-59.2	-80.6	0	0	0	114.7	D59	D59-H61 WeakPolarHBondContact CB-NE2 3.4Å
62	W	87	Confident	87.6	Confident	68 Å²	68	76 Å²	76	26%	0.258	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-15.3	-177.6	58.4	-100.6	0	0	0	112.8	R60 T64 R65 E66 F67 I157 R188	R60-W62 HydrophobicContact CG-CZ2 4.48Å; R60-W62 PolarHBondContact O-N 3.35Å; R60-W62 VanDerWaalsContact O-N 3.09Å; W62-T64 PolarHBondContact O-N 2.99Å; W62-R65 WeakPolarHBondContact O-CB 3.29Å; W62-R65 PolarHBondContact O-N 3.13Å; W62-E66 HydrophobicContact CE3-CB 3.94Å; W62-E66 HydrophobicContact CE3-CG 3.64Å; W62-E66 HydrophobicContact CZ3-CB 4.18Å; W62-E66 HydrophobicContact CZ3-CG 4.27Å; W62-E66 PolarHBondContact O-N 3.11Å; W62-E66 VanDerWaalsContact O-N 3.13Å; W62-F67 HydrophobicContact CH2-CE2 4.28Å; W62-F67 HydrophobicContact CZ3-CD2 4.32Å; W62-F67 AromaticContact CZ3-CE2 3.77Å; W62-F67 HydrophobicContact CZ3-CE2 3.77Å; W62-I157 HydrophobicContact CH2-CG2 4.31Å; W62-I157 HydrophobicContact CZ2-CG2 4.44Å; W62-R188 HydrophobicContact CH2-CB 4.5Å; W62-R188 HydrophobicContact CH2-CG 4.49Å
63	T	83.8	Confident	86.7	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.012	35%	0.35	C	S	.	.	H	α-helix	trans	-60.8	-44.5	-170.3	45.8	0	0	0	0	112.9	R60 R65 E66 F67 C93	R60-T63 HydrophobicContact CB-CG2 4.43Å; T63-R65 PolarHBondContact O-N 3.08Å; T63-E66 PolarHBondContact O-N 2.59Å; T63-F67 PolarHBondContact O-N 3.05Å; T63-C93 WeakPolarHBondContact CG2-SG 3.46Å
64	T	83.2	Confident	85.9	Confident	9 Å²	9	74.2 Å²	74.2	6%	0.055	34%	0.342	C	S	.	.	H	α-helix	trans	-69.5	-13	178.4	65.2	0	0	0	0	113.9	W62 L70 R71 L97 E100	W62-T64 PolarHBondContact O-N 2.99Å; T64-L70 HydrophobicContact CG2-CB 4.35Å; T64-L70 HydrophobicContact CG2-CD1 4.32Å; T64-R71 VanDerWaalsContact O-CZ 3.29Å; T64-R71 PolarHBondContact O-NE 2.76Å; T64-R71 PolarHBondContact O-NH2 2.87Å; T64-R71 PolarHBondContact OG1-NH2 2.99Å; T64-L97 HydrophobicContact CG2-CD1 3.53Å; T64-E100 VanDerWaalsContact CG2-OE2 3.24Å; T64-E100 WeakPolarHBondContact CG2-OE2 3.26Å; T64-E100 PolarHBondContact OG1-OE2 3.36Å
65	R	84.3	Confident	85.1	Confident	204 Å²	204	78.9 Å²	78.9	77%	0.77	36%	0.36	S	S	*	.	H	α-helix	trans	-89.1	-33.4	174.1	-60.3	-179.5	177.7	-167.2	-2.6	112.6	W62 T63	W62-R65 WeakPolarHBondContact O-CB 3.29Å; W62-R65 PolarHBondContact O-N 3.13Å; T63-R65 PolarHBondContact O-N 3.08Å
66	E	85.2	Confident	84.7	Confident	62 Å²	62	79.1 Å²	79.1	29%	0.29	35%	0.354	S	S	.	.	H	α-helix	trans	-94.5	-21.7	-175.9	-61	-82.9	146.4	0	0	112.3	W62 T63 R188 R246 Q263	W62-E66 HydrophobicContact CE3-CB 3.94Å; W62-E66 HydrophobicContact CE3-CG 3.64Å; W62-E66 HydrophobicContact CZ3-CB 4.18Å; W62-E66 HydrophobicContact CZ3-CG 4.27Å; W62-E66 PolarHBondContact O-N 3.11Å; W62-E66 VanDerWaalsContact O-N 3.13Å; T63-E66 PolarHBondContact O-N 2.59Å; E66-R188 IonicContact OE2-NH1 3.75Å; E66-R246 VanDerWaalsContact CD-NH2 3.26Å; E66-R246 IonicContact OE1-CZ 3.26Å; E66-R246 IonicContact OE1-NH2 3.62Å; E66-R246 PolarHBondContact OE1-NH2 2.84Å; E66-R246 IonicContact OE2-NH2 3.54Å; E66-R246 PolarHBondContact OE2-NH2 3.25Å; E66-R246 VanDerWaalsContact OE2-NH2 3.15Å; E66-Q263 PolarHBondContact OE2-NE2 3.11Å; E66-Q263 PolarHBondContact OE2-OE1 3.37Å
67	F	88.6	Confident	83.8	Confident	8 Å²	8	82.2 Å²	82.2	4%	0.035	37%	0.37	C	S	.	.			trans	-123.4	100.5	177.8	-60.3	-64.9	0	0	0	110.6	W62 T63 E69 L70 I157 L186 R188 Q263	W62-F67 HydrophobicContact CH2-CE2 4.28Å; W62-F67 HydrophobicContact CZ3-CD2 4.32Å; W62-F67 AromaticContact CZ3-CE2 3.77Å; W62-F67 HydrophobicContact CZ3-CE2 3.77Å; T63-F67 PolarHBondContact O-N 3.05Å; F67-E69 PolarHBondContact O-N 3.02Å; F67-L70 HydrophobicContact CB-CD1 4.16Å; F67-L70 HydrophobicContact CB-CG 4.29Å; F67-L70 PolarHBondContact O-N 3.2Å; F67-I157 HydrophobicContact CE2-CD1 3.83Å; F67-I157 HydrophobicContact CZ-CD1 4.11Å; F67-L186 HydrophobicContact CB-CD1 3.6Å; F67-L186 HydrophobicContact CB-CD2 4.34Å; F67-L186 HydrophobicContact CB-CG 4.48Å; F67-L186 HydrophobicContact CD1-CB 4.03Å; F67-L186 HydrophobicContact CD1-CD1 4.16Å; F67-L186 HydrophobicContact CD1-CD2 3.82Å; F67-L186 HydrophobicContact CD1-CG 4.21Å; F67-L186 HydrophobicContact CD2-CB 4.48Å; F67-L186 HydrophobicContact CD2-CD1 4.24Å; F67-L186 HydrophobicContact CE1-CB 4.04Å; F67-L186 HydrophobicContact CE1-CD2 4.42Å; F67-L186 HydrophobicContact CE2-CB 4.49Å; F67-L186 HydrophobicContact CG-CB 4.25Å; F67-L186 HydrophobicContact CG-CD1 3.76Å; F67-L186 HydrophobicContact CG-CD2 4.27Å; F67-L186 HydrophobicContact CG-CG 4.31Å; F67-L186 HydrophobicContact CZ-CB 4.26Å; F67-R188 HydrophobicContact CZ-CB 4.33Å; F67-Q263 HydrophobicContact CE1-CG 3.76Å; F67-Q263 HydrophobicContact CZ-CG 3.85Å
68	E	86.7	Confident	83.3	Confident	130 Å²	130	85.5 Å²	85.5	61%	0.607	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.7	-179.1	63.4	174.2	-170.7	0	0	112.5	L70 R71 S72	E68-L70 PolarHBondContact O-N 2.86Å; E68-L70 VanDerWaalsContact O-N 3.14Å; E68-R71 CarbonylContact O-C 3.54Å; E68-R71 WeakPolarHBondContact O-CA 3.5Å; E68-R71 PolarHBondContact O-N 3.04Å; E68-S72 WeakPolarHBondContact O-CB 3.12Å; E68-S72 PolarHBondContact O-N 3.22Å; E68-S72 PolarHBondContact O-OG 2.73Å
69	E	87.9	Confident	83.1	Confident	14 Å²	14	79.7 Å²	79.7	7%	0.065	37%	0.367	C	S	.	.	H	α-helix	trans	-59	-29.4	-178.6	-65.6	72.9	-162.1	0	0	112.1	F67 R71 C73 V153 L186 K265	F67-E69 PolarHBondContact O-N 3.02Å; E69-R71 PolarHBondContact O-N 3.36Å; E69-C73 WeakPolarHBondContact O-CB 3.23Å; E69-C73 PolarHBondContact O-N 3.21Å; E69-C73 PolarHBondContact O-SG 2.84Å; E69-V153 HydrophobicContact CB-CG2 4.28Å; E69-L186 HydrophobicContact CB-CD1 4.4Å; E69-L186 HydrophobicContact CB-CD2 4.14Å; E69-L186 HydrophobicContact CG-CD2 3.99Å; E69-L186 WeakPolarHBondContact OE2-CD2 3.49Å; E69-K265 WeakPolarHBondContact OE1-CD 3.08Å; E69-K265 WeakPolarHBondContact OE1-CE 3.25Å; E69-K265 IonicContact OE1-NZ 3.92Å; E69-K265 PolarHBondContact OE1-NZ 2.91Å
70	L	86.1	Confident	83	Confident	2 Å²	2	81 Å²	81	1%	0.01	37%	0.368	C	S	.	.	H	α-helix	trans	-66.5	-14.1	175.6	-63.9	175.3	0	0	0	112.6	T64 F67 E68 L97 V153 M155 L186	T64-L70 HydrophobicContact CG2-CB 4.35Å; T64-L70 HydrophobicContact CG2-CD1 4.32Å; F67-L70 HydrophobicContact CB-CD1 4.16Å; F67-L70 HydrophobicContact CB-CG 4.29Å; F67-L70 PolarHBondContact O-N 3.2Å; E68-L70 PolarHBondContact O-N 2.86Å; E68-L70 VanDerWaalsContact O-N 3.14Å; L70-L97 HydrophobicContact CD1-CD1 4.43Å; L70-L97 HydrophobicContact CD2-CD2 4.3Å; L70-V153 HydrophobicContact CD2-CG1 4.08Å; L70-M155 HydrophobicContact CD1-SD 4.1Å; L70-M155 HydrophobicContact CD2-CG 4.46Å; L70-M155 HydrophobicContact CD2-SD 4.09Å; L70-L186 HydrophobicContact CD1-CD1 4.38Å; L70-L186 HydrophobicContact CD2-CD1 4.01Å; L70-L186 HydrophobicContact CG-CD1 3.9Å
71	R	81.6	Confident	83.2	Confident	148 Å²	148	79.2 Å²	79.2	56%	0.558	36%	0.362	S	S	*	.	H	α-helix	trans	-114.8	-42.4	175.5	-60.6	-179.6	179.5	172.8	4.2	112.3	T64 E68 E69	T64-R71 VanDerWaalsContact O-CZ 3.29Å; T64-R71 PolarHBondContact O-NE 2.76Å; T64-R71 PolarHBondContact O-NH2 2.87Å; T64-R71 PolarHBondContact OG1-NH2 2.99Å; E68-R71 CarbonylContact O-C 3.54Å; E68-R71 WeakPolarHBondContact O-CA 3.5Å; E68-R71 PolarHBondContact O-N 3.04Å; E69-R71 PolarHBondContact O-N 3.36Å
72	S	76.9	Confident	83.6	Confident	70 Å²	70	75.7 Å²	75.7	49%	0.49	35%	0.347	S	S	.	.	H	α-helix	trans	-87.7	-6.1	-169.9	67.1	0	0	0	0	114.7	E68 R74	E68-S72 WeakPolarHBondContact O-CB 3.12Å; E68-S72 PolarHBondContact O-N 3.22Å; E68-S72 PolarHBondContact O-OG 2.73Å; S72-R74 PolarHBondContact O-N 2.99Å
73	C	76.1	Confident	84.1	Confident	20 Å²	20	72.5 Å²	72.5	14%	0.135	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.7	178.1	-81.7	0	0	0	0	114.7	E69 L81 V153 K183	E69-C73 WeakPolarHBondContact O-CB 3.23Å; E69-C73 PolarHBondContact O-N 3.21Å; E69-C73 PolarHBondContact O-SG 2.84Å; C73-L81 HydrophobicContact CB-CD1 3.67Å; C73-V153 HydrophobicContact CB-CG2 4.24Å; C73-V153 WeakPolarHBondContact SG-CG2 3.23Å; C73-K183 PolarHBondContact O-NZ 3.39Å
74	R	78.8	Confident	84.9	Confident	36 Å²	36	72.4 Å²	72.4	14%	0.136	33%	0.334	C	S	.	.			trans	-94	135.7	-178.8	-56	179.2	-165.9	-109.6	6.8	110.3	S72 F76 Q79 L81 D101 N103	S72-R74 PolarHBondContact O-N 2.99Å; R74-F76 WeakPolarHBondContact CB-O 3.34Å; R74-Q79 HydrophobicContact CB-CB 4.36Å; R74-Q79 WeakPolarHBondContact CD-O 3.34Å; R74-Q79 PolarHBondContact NH1-O 3.12Å; R74-L81 VanDerWaalsContact CZ-CB 3.4Å; R74-D101 IonicContact CZ-OD1 3.93Å; R74-D101 IonicContact CZ-OD2 3.58Å; R74-D101 IonicContact NE-OD2 2.63Å; R74-D101 IonicContact NH2-OD1 3.15Å; R74-D101 PolarHBondContact NH2-OD1 3.23Å; R74-D101 IonicContact NH2-OD2 2.78Å; R74-D101 PolarHBondContact NH2-OD2 2.78Å; R74-N103 PolarHBondContact NH1-O 3.19Å; R74-N103 PolarHBondContact NH2-O 3.09Å
75	E	74.9	Confident	85.6	Confident	158 Å²	158	72.4 Å²	72.4	74%	0.738	33%	0.334	S	S	*	.	S	Bend	trans	-80.2	-28	170.4	-63	-179.8	179.7	0	0	111.3
76	F	79.1	Confident	86.3	Confident	144 Å²	144	62.7 Å²	62.7	63%	0.632	30%	0.297	S	S	*	.	S	Bend	trans	-134	150.4	179.7	-49.2	-78.4	0	0	0	111	R74 D78 Q79	R74-F76 WeakPolarHBondContact CB-O 3.34Å; F76-D78 VanDerWaalsContact C-N 3.27Å; F76-D78 PolarHBondContact O-N 2.78Å; F76-Q79 HydrophobicContact CB-CB 4.36Å; F76-Q79 WeakPolarHBondContact O-CB 3.45Å; F76-Q79 PolarHBondContact O-N 3.26Å
77	E	70.9	Confident	86.9	Confident	177 Å²	177	60.8 Å²	60.8	83%	0.827	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-37.1	-175.2	-163.9	165.2	-165.2	0	0	113.2
78	D	76.7	Confident	87.4	Confident	136 Å²	136	60.7 Å²	60.7	73%	0.727	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-0.6	-179.8	-62.3	-38.4	0	0	0	114.3	F76 K80	F76-D78 VanDerWaalsContact C-N 3.27Å; F76-D78 PolarHBondContact O-N 2.78Å; D78-K80 PolarHBondContact O-N 3.41Å; D78-K80 VanDerWaalsContact O-N 3.11Å
79	Q	85	Confident	87.9	Confident	62 Å²	62	54.8 Å²	54.8	29%	0.29	27%	0.269	S	S	.	.			trans	-69.6	112.7	-176.1	177.7	-173.9	-5.9	0	0	110.5	R74 F76 L81	R74-Q79 HydrophobicContact CB-CB 4.36Å; R74-Q79 WeakPolarHBondContact CD-O 3.34Å; R74-Q79 PolarHBondContact NH1-O 3.12Å; F76-Q79 HydrophobicContact CB-CB 4.36Å; F76-Q79 WeakPolarHBondContact O-CB 3.45Å; F76-Q79 PolarHBondContact O-N 3.26Å; Q79-L81 PolarHBondContact O-N 3.23Å
80	K	91.1	Very high	88.4	Confident	113 Å²	113	54.6 Å²	54.6	49%	0.491	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-50.4	128.4	176.5	-170.7	171.2	-177.8	170.8	0	112.9	D78 N103 F105	D78-K80 PolarHBondContact O-N 3.41Å; D78-K80 VanDerWaalsContact O-N 3.11Å; K80-N103 CarbonylContact C-O 3.57Å; K80-N103 VanDerWaalsContact CA-O 3.28Å; K80-N103 WeakPolarHBondContact CA-O 3.43Å; K80-F105 VanDerWaalsContact CE-CB 3.47Å
81	L	94.5	Very high	88.9	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	120.9	177.5	179.3	71.1	0	0	0	109.4	C73 R74 Q79 I83 N103 I104 F105 D152 V153	C73-L81 HydrophobicContact CB-CD1 3.67Å; R74-L81 VanDerWaalsContact CZ-CB 3.4Å; Q79-L81 PolarHBondContact O-N 3.23Å; L81-I83 HydrophobicContact CD2-CG2 3.92Å; L81-I83 HydrophobicContact CG-CG2 3.89Å; L81-N103 PolarHBondContact N-O 3.35Å; L81-I104 HydrophobicContact CB-CG1 4.32Å; L81-I104 HydrophobicContact CD2-CD1 4.33Å; L81-I104 HydrophobicContact CD2-CG1 4.23Å; L81-I104 CarbonylContact O-C 3.56Å; L81-I104 WeakPolarHBondContact O-CA 3.41Å; L81-F105 PolarHBondContact O-N 3.39Å; L81-D152 HydrophobicContact CD1-CB 3.58Å; L81-V153 HydrophobicContact CD1-CG2 4.36Å
82	T	97.5	Very high	89.7	Confident	24 Å²	24	48.1 Å²	48.1	15%	0.147	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.1	177.1	-56.9	0	0	0	0	110.4	F105 Y107 D152 V153	T82-F105 CarbonylContact C-O 3.54Å; T82-F105 WeakPolarHBondContact CA-O 3.37Å; T82-F105 HydrophobicContact CG2-CD1 4.47Å; T82-Y107 HydrophobicContact CG2-CD2 3.88Å; T82-Y107 HydrophobicContact CG2-CE2 3.7Å; T82-D152 PolarHBondContact N-OD2 2.97Å; T82-D152 WeakPolarHBondContact O-CA 3.44Å; T82-D152 WeakPolarHBondContact O-CB 3.44Å; T82-D152 PolarHBondContact O-N 3.27Å; T82-V153 PolarHBondContact O-N 3.14Å
83	I	98.1	Very high	90.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	158.3	-179.7	70.9	174.9	0	0	0	111.7	L81 L97 I104 F105 A106 Y107 V153	L81-I83 HydrophobicContact CD2-CG2 3.92Å; L81-I83 HydrophobicContact CG-CG2 3.89Å; I83-L97 HydrophobicContact CD1-CD2 3.32Å; I83-L97 HydrophobicContact CD1-CG 4.33Å; I83-I104 HydrophobicContact CD1-CG2 3.75Å; I83-I104 HydrophobicContact CG1-CG2 3.9Å; I83-I104 HydrophobicContact CG2-CG2 4.43Å; I83-F105 PolarHBondContact N-O 2.89Å; I83-A106 HydrophobicContact CD1-CB 4.07Å; I83-A106 HydrophobicContact CG1-CB 3.82Å; I83-Y107 PolarHBondContact O-N 3.27Å; I83-V153 CarbonylContact C-O 3.47Å; I83-V153 VanDerWaalsContact CA-O 3.23Å; I83-V153 WeakPolarHBondContact CA-O 3.49Å; I83-V153 HydrophobicContact CG2-CB 4.28Å
84	L	98.8	Very high	91.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	118.8	163.1	172.6	61.4	0	0	0	109.3	Y107 L142 V151 V153 V154 M155 V178	L84-Y107 CarbonylContact C-O 3.52Å; L84-Y107 VanDerWaalsContact CA-O 3.27Å; L84-Y107 WeakPolarHBondContact CA-O 3.32Å; L84-L142 HydrophobicContact CD2-CD1 3.91Å; L84-L142 HydrophobicContact CD2-CD2 4.36Å; L84-V151 HydrophobicContact CB-CG1 3.9Å; L84-V151 HydrophobicContact CB-CG2 4.18Å; L84-V153 PolarHBondContact N-O 2.98Å; L84-V154 HydrophobicContact CB-CG1 4.44Å; L84-V154 HydrophobicContact CB-CG2 4.11Å; L84-V154 HydrophobicContact CD2-CG1 4.39Å; L84-V154 HydrophobicContact CD2-CG2 4.39Å; L84-V154 HydrophobicContact CG-CG1 4.43Å; L84-V154 CarbonylContact O-C 3.49Å; L84-V154 WeakPolarHBondContact O-CA 3.38Å; L84-M155 PolarHBondContact O-N 2.94Å; L84-V178 HydrophobicContact CD2-CG2 4Å
85	E	98.7	Very high	92.4	Very high	9 Å²	9	42.6 Å²	42.6	4%	0.042	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	102.9	162.6	-170.9	178.2	173.7	0	0	109.2	C88 C93 L94 Y107 A108 C109 M155	E85-C88 HydrophobicContact CB-CB 4.25Å; E85-C88 HydrophobicContact CG-CB 3.87Å; E85-C88 WeakPolarHBondContact OE1-CA 3.34Å; E85-C93 WeakPolarHBondContact OE1-CB 3.36Å; E85-L94 WeakPolarHBondContact OE2-CA 3.33Å; E85-L94 WeakPolarHBondContact OE2-CB 3.34Å; E85-L94 PolarHBondContact OE2-N 3.11Å; E85-Y107 PolarHBondContact N-O 2.85Å; E85-A108 WeakPolarHBondContact O-CA 3.41Å; E85-C109 PolarHBondContact O-N 3.47Å; E85-M155 HydrophobicContact CB-CE 4.17Å; E85-M155 HydrophobicContact CG-CE 3.88Å
86	A	98.6	Very high	93.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	124.4	174.6	0	0	0	0	0	108.8	L137 M155 L156 V159 I175	A86-L137 HydrophobicContact CB-CD1 3.87Å; A86-L137 HydrophobicContact CB-CD2 4.5Å; A86-M155 PolarHBondContact N-O 3.25Å; A86-M155 VanDerWaalsContact N-O 3.09Å; A86-L156 HydrophobicContact CB-CD1 3.79Å; A86-V159 WeakPolarHBondContact O-CG2 3.2Å; A86-I175 HydrophobicContact CB-CD1 4.41Å
87	G	98.4	Very high	94.1	Very high	21 Å²	21	28.4 Å²	28.4	22%	0.216	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	53.7	-173.6	0	0	0	0	0	113.3	G89 C109	G87-G89 PolarHBondContact O-N 3.14Å; G87-C109 CarbonylContact C-O 3.57Å; G87-C109 WeakPolarHBondContact CA-O 3.4Å; G87-C109 PolarHBondContact N-O 2.93Å
88	C	98.3	Very high	95.2	Very high	6 Å²	6	20.9 Å²	20.9	4%	0.041	11%	0.112	C	C	.	.			trans	-71	-12.9	-172.7	66.9	0	0	0	0	114.9	E85 V90 G91 A108 C109	E85-C88 HydrophobicContact CB-CB 4.25Å; E85-C88 HydrophobicContact CG-CB 3.87Å; E85-C88 WeakPolarHBondContact OE1-CA 3.34Å; C88-V90 PolarHBondContact O-N 3.3Å; C88-G91 PolarHBondContact O-N 3.38Å; C88-A108 HydrophobicContact CB-CB 3.93Å; C88-C109 PolarHBondContact N-O 3.2Å
89	G	98.3	Very high	96	Very high	7 Å²	7	20.1 Å²	20.1	7%	0.072	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-127.4	-171	0	0	0	0	0	111.3	Y49 G87 G91 D110 A115 V119	Y49-G89 VanDerWaalsContact OH-CA 3.24Å; Y49-G89 WeakPolarHBondContact OH-CA 3.39Å; G87-G89 PolarHBondContact O-N 3.14Å; G89-G91 VanDerWaalsContact C-N 3.32Å; G89-D110 VanDerWaalsContact CA-OD2 3.23Å; G89-D110 WeakPolarHBondContact CA-OD2 3.36Å; G89-D110 PolarHBondContact N-OD2 3.3Å; G89-A115 WeakPolarHBondContact O-CB 3.49Å; G89-V119 VanDerWaalsContact O-CG2 3.32Å; G89-V119 WeakPolarHBondContact O-CG2 3.35Å
90	V	98	Very high	96.3	Very high	10 Å²	10	21.4 Å²	21.4	6%	0.061	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	14.1	179	-58.5	0	0	0	0	113.3	Y49 T54 C88 N92 Y118	Y49-V90 HydrophobicContact CD1-CG1 3.71Å; Y49-V90 HydrophobicContact CE1-CG1 3.81Å; T54-V90 HydrophobicContact CG2-CB 4.15Å; T54-V90 HydrophobicContact CG2-CG1 4.32Å; C88-V90 PolarHBondContact O-N 3.3Å; V90-N92 WeakPolarHBondContact CG2-OD1 3.34Å; V90-Y118 HydrophobicContact CG1-CD2 3.73Å; V90-Y118 HydrophobicContact CG1-CG 4.26Å
91	G	97.6	Very high	96.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	10%	0.095	C	C	.	.	S	Bend	trans	88.5	18.6	173.5	0	0	0	0	0	115.7	C88 G89 C93 L94 F95	C88-G91 PolarHBondContact O-N 3.38Å; G89-G91 VanDerWaalsContact C-N 3.32Å; G91-C93 PolarHBondContact O-N 3.02Å; G91-C93 VanDerWaalsContact O-N 3.13Å; G91-L94 PolarHBondContact O-N 3.42Å; G91-F95 VanDerWaalsContact O-CD2 3.27Å; G91-F95 WeakPolarHBondContact O-CD2 3.3Å; G91-F95 PolarHBondContact O-N 3.25Å
92	N	96.8	Very high	96.2	Very high	12 Å²	12	21.8 Å²	21.8	6%	0.064	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.7	179.5	-64.7	114.5	0	0	0	114.1	F57 D59 R60 V90	F57-N92 WeakPolarHBondContact CB-OD1 3.38Å; F57-N92 PolarHBondContact O-ND2 2.97Å; D59-N92 CarbonylContact C-O 3.49Å; D59-N92 WeakPolarHBondContact CA-O 3.44Å; D59-N92 WeakPolarHBondContact OD1-CA 3.4Å; D59-N92 PolarHBondContact OD1-ND2 3.44Å; R60-N92 PolarHBondContact N-O 3.31Å; V90-N92 WeakPolarHBondContact CG2-OD1 3.34Å
93	C	95.1	Very high	95.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	-42.2	168.1	-154.4	0	0	0	0	111.1	R60 T63 E85 G91 L97 M155	R60-C93 HydrophobicContact CB-CB 4.48Å; T63-C93 WeakPolarHBondContact CG2-SG 3.46Å; E85-C93 WeakPolarHBondContact OE1-CB 3.36Å; G91-C93 PolarHBondContact O-N 3.02Å; G91-C93 VanDerWaalsContact O-N 3.13Å; C93-L97 WeakPolarHBondContact O-CB 3.16Å; C93-L97 PolarHBondContact O-N 3.18Å; C93-M155 HydrophobicContact CB-CE 4.12Å; C93-M155 WeakPolarHBondContact SG-CE 3.27Å
94	L	96.8	Very high	95.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-50.4	-60	178.3	-173.9	59.2	0	0	0	113.9	E85 G91 L97 L98 A106 A108 V119	E85-L94 WeakPolarHBondContact OE2-CA 3.33Å; E85-L94 WeakPolarHBondContact OE2-CB 3.34Å; E85-L94 PolarHBondContact OE2-N 3.11Å; G91-L94 PolarHBondContact O-N 3.42Å; L94-L97 PolarHBondContact O-N 3.01Å; L94-L98 HydrophobicContact CD1-CD1 3.95Å; L94-L98 HydrophobicContact CD1-CG 4.29Å; L94-L98 HydrophobicContact CG-CD1 3.99Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 3.02Å; L94-A106 HydrophobicContact CD1-CB 3.47Å; L94-A106 VanDerWaalsContact CD1-CB 3.47Å; L94-A108 HydrophobicContact CD1-CB 4.26Å; L94-A108 HydrophobicContact CD2-CB 3.92Å; L94-V119 HydrophobicContact CD2-CG1 3.79Å
95	F	97.3	Very high	95.7	Very high	9 Å²	9	24.5 Å²	24.5	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-67.9	-46.3	-170.1	-66.5	-62.5	0	0	0	113	G91 L97 L98 E99 V119 N122 L124	G91-F95 VanDerWaalsContact O-CD2 3.27Å; G91-F95 WeakPolarHBondContact O-CD2 3.3Å; G91-F95 PolarHBondContact O-N 3.25Å; F95-L97 PolarHBondContact O-N 3.09Å; F95-L97 VanDerWaalsContact O-N 3.17Å; F95-L98 PolarHBondContact O-N 3.44Å; F95-L98 VanDerWaalsContact O-N 3.09Å; F95-E99 WeakPolarHBondContact O-CG 3.46Å; F95-E99 PolarHBondContact O-N 2.93Å; F95-V119 HydrophobicContact CE2-CG1 4.18Å; F95-V119 HydrophobicContact CZ-CB 4.49Å; F95-V119 HydrophobicContact CZ-CG1 3.73Å; F95-N122 HydrophobicContact CD2-CB 4.42Å; F95-N122 WeakPolarHBondContact CD2-ND2 3.43Å; F95-N122 HydrophobicContact CE1-CB 4.05Å; F95-N122 HydrophobicContact CE2-CB 3.54Å; F95-N122 VanDerWaalsContact CE2-CG 3.44Å; F95-N122 WeakPolarHBondContact CE2-ND2 2.9Å; F95-N122 HydrophobicContact CZ-CB 3.32Å; F95-L124 HydrophobicContact CB-CD1 4.1Å; F95-L124 HydrophobicContact CD1-CB 3.62Å; F95-L124 HydrophobicContact CD1-CD1 4.42Å; F95-L124 HydrophobicContact CE1-CB 3.99Å; F95-L124 HydrophobicContact CG-CB 4.36Å; F95-L124 HydrophobicContact CG-CD1 4.44Å
96	P	95.5	Very high	95.7	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.019	13%	0.133	C	C	.	.	H	α-helix	trans	-52.3	-39.6	172.5	-31.8	38.8	0	0	0	113.5	D59 E100	D59-P96 HydrophobicContact CB-CG 3.77Å; P96-E100 WeakPolarHBondContact O-CB 3.33Å; P96-E100 WeakPolarHBondContact O-CG 3.26Å; P96-E100 PolarHBondContact O-N 2.87Å
97	L	93.3	Very high	95.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	14%	0.138	C	C	.	.	H	α-helix	trans	-71.3	-39.3	-179.9	-176	60.1	0	0	0	112.3	T64 L70 I83 C93 L94 F95 E100 D101 I104 M155	T64-L97 HydrophobicContact CG2-CD1 3.53Å; L70-L97 HydrophobicContact CD1-CD1 4.43Å; L70-L97 HydrophobicContact CD2-CD2 4.3Å; I83-L97 HydrophobicContact CD1-CD2 3.32Å; I83-L97 HydrophobicContact CD1-CG 4.33Å; C93-L97 WeakPolarHBondContact O-CB 3.16Å; C93-L97 PolarHBondContact O-N 3.18Å; L94-L97 PolarHBondContact O-N 3.01Å; F95-L97 PolarHBondContact O-N 3.09Å; F95-L97 VanDerWaalsContact O-N 3.17Å; L97-E100 PolarHBondContact O-N 3.43Å; L97-D101 PolarHBondContact O-N 3.44Å; L97-I104 HydrophobicContact CD1-CD1 3.68Å; L97-I104 HydrophobicContact CD2-CD1 4.26Å; L97-I104 HydrophobicContact CG-CD1 3.62Å; L97-M155 HydrophobicContact CD2-CE 4.35Å; L97-M155 HydrophobicContact CD2-SD 4.08Å
98	L	94.8	Very high	95.8	Very high	18 Å²	18	24.4 Å²	24.4	9%	0.094	13%	0.128	C	C	.	.	H	α-helix	trans	-68.7	-32.9	176.2	-69.7	177.3	0	0	0	112.8	L94 F95 I104 A106 C130	L94-L98 HydrophobicContact CD1-CD1 3.95Å; L94-L98 HydrophobicContact CD1-CG 4.29Å; L94-L98 HydrophobicContact CG-CD1 3.99Å; L94-L98 WeakPolarHBondContact O-CG 3.39Å; L94-L98 PolarHBondContact O-N 3.02Å; F95-L98 PolarHBondContact O-N 3.44Å; F95-L98 VanDerWaalsContact O-N 3.09Å; L98-I104 HydrophobicContact CD2-CB 4.16Å; L98-I104 HydrophobicContact CD2-CG2 3.8Å; L98-A106 HydrophobicContact CD2-CB 3.96Å; L98-C130 HydrophobicContact CD1-CB 3.98Å
99	E	94.2	Very high	95.8	Very high	121 Å²	121	24.1 Å²	24.1	57%	0.565	13%	0.126	S	C	*	.	H	α-helix	trans	-71.5	-39.8	174.3	-71.3	179.9	120.5	0	0	112.1	F95 D101 L124	F95-E99 WeakPolarHBondContact O-CG 3.46Å; F95-E99 PolarHBondContact O-N 2.93Å; E99-D101 VanDerWaalsContact C-N 3.31Å; E99-D101 PolarHBondContact O-N 3.43Å; E99-L124 HydrophobicContact CG-CD1 3.97Å; E99-L124 WeakPolarHBondContact OE1-CD1 3.31Å
100	E	91.1	Very high	95.8	Very high	89 Å²	89	24.3 Å²	24.3	42%	0.416	13%	0.125	S	C	.	.	H	α-helix	trans	-67.2	-29.9	179.2	-80.3	-178.3	-160	0	0	112.8	T64 P96 L97	T64-E100 VanDerWaalsContact CG2-OE2 3.24Å; T64-E100 WeakPolarHBondContact CG2-OE2 3.26Å; T64-E100 PolarHBondContact OG1-OE2 3.36Å; P96-E100 WeakPolarHBondContact O-CB 3.33Å; P96-E100 WeakPolarHBondContact O-CG 3.26Å; P96-E100 PolarHBondContact O-N 2.87Å; L97-E100 PolarHBondContact O-N 3.43Å
101	D	90.7	Very high	95.8	Very high	31 Å²	31	26 Å²	26	17%	0.166	13%	0.132	C	C	.	.			trans	-139	109.4	-172.1	-170.4	-34.5	0	0	0	113	R74 L97 E99 N103 I104 R129	R74-D101 IonicContact CZ-OD1 3.93Å; R74-D101 IonicContact CZ-OD2 3.58Å; R74-D101 IonicContact NE-OD2 2.63Å; R74-D101 IonicContact NH2-OD1 3.15Å; R74-D101 PolarHBondContact NH2-OD1 3.23Å; R74-D101 IonicContact NH2-OD2 2.78Å; R74-D101 PolarHBondContact NH2-OD2 2.78Å; L97-D101 PolarHBondContact O-N 3.44Å; E99-D101 VanDerWaalsContact C-N 3.31Å; E99-D101 PolarHBondContact O-N 3.43Å; D101-N103 PolarHBondContact O-N 3.04Å; D101-N103 VanDerWaalsContact O-N 3.16Å; D101-N103 WeakPolarHBondContact OD1-CA 3.46Å; D101-N103 WeakPolarHBondContact OD1-CB 3.33Å; D101-N103 PolarHBondContact OD1-N 3.37Å; D101-I104 HydrophobicContact CB-CD1 3.64Å; D101-I104 HydrophobicContact CB-CG1 3.85Å; D101-R129 PolarHBondContact O-NH2 2.91Å
102	P	91.7	Very high	95.9	Very high	92 Å²	92	26 Å²	26	60%	0.597	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.8	-179.3	30.1	-35.9	0	0	0	113.9	R129	P102-R129 VanDerWaalsContact C-CZ 3.47Å; P102-R129 PolarHBondContact O-NH1 3.25Å; P102-R129 PolarHBondContact O-NH2 3.36Å
103	N	92.9	Very high	95.9	Very high	52 Å²	52	28 Å²	28	28%	0.278	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	18.8	-174.9	-65	-32.6	0	0	0	112.5	R74 K80 L81 D101	R74-N103 PolarHBondContact NH1-O 3.19Å; R74-N103 PolarHBondContact NH2-O 3.09Å; K80-N103 CarbonylContact C-O 3.57Å; K80-N103 VanDerWaalsContact CA-O 3.28Å; K80-N103 WeakPolarHBondContact CA-O 3.43Å; L81-N103 PolarHBondContact N-O 3.35Å; D101-N103 PolarHBondContact O-N 3.04Å; D101-N103 VanDerWaalsContact O-N 3.16Å; D101-N103 WeakPolarHBondContact OD1-CA 3.46Å; D101-N103 WeakPolarHBondContact OD1-CB 3.33Å; D101-N103 PolarHBondContact OD1-N 3.37Å
104	I	95.1	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	119	178	-68.4	-178.3	0	0	0	113.1	L81 I83 L97 L98 D101 A106 R129	L81-I104 HydrophobicContact CB-CG1 4.32Å; L81-I104 HydrophobicContact CD2-CD1 4.33Å; L81-I104 HydrophobicContact CD2-CG1 4.23Å; L81-I104 CarbonylContact O-C 3.56Å; L81-I104 WeakPolarHBondContact O-CA 3.41Å; I83-I104 HydrophobicContact CD1-CG2 3.75Å; I83-I104 HydrophobicContact CG1-CG2 3.9Å; I83-I104 HydrophobicContact CG2-CG2 4.43Å; L97-I104 HydrophobicContact CD1-CD1 3.68Å; L97-I104 HydrophobicContact CD2-CD1 4.26Å; L97-I104 HydrophobicContact CG-CD1 3.62Å; L98-I104 HydrophobicContact CD2-CB 4.16Å; L98-I104 HydrophobicContact CD2-CG2 3.8Å; D101-I104 HydrophobicContact CB-CD1 3.64Å; D101-I104 HydrophobicContact CB-CG1 3.85Å; I104-A106 HydrophobicContact CG2-CB 4.4Å; I104-R129 VanDerWaalsContact C-NH2 3.31Å; I104-R129 VanDerWaalsContact CA-NH2 3.3Å; I104-R129 PolarHBondContact O-NE 3.42Å; I104-R129 PolarHBondContact O-NH2 3.29Å
105	F	97.6	Very high	96.2	Very high	30 Å²	30	31.5 Å²	31.5	13%	0.132	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	110.9	152.4	168.3	-3.3	0	0	0	114.1	K80 L81 T82 I83 Y107 E128 R129 K131	K80-F105 VanDerWaalsContact CE-CB 3.47Å; L81-F105 PolarHBondContact O-N 3.39Å; T82-F105 CarbonylContact C-O 3.54Å; T82-F105 WeakPolarHBondContact CA-O 3.37Å; T82-F105 HydrophobicContact CG2-CD1 4.47Å; I83-F105 PolarHBondContact N-O 2.89Å; F105-Y107 HydrophobicContact CD1-CD2 4.37Å; F105-Y107 HydrophobicContact CD1-CE2 4.21Å; F105-Y107 HydrophobicContact CE1-CD1 4.12Å; F105-Y107 AromaticContact CE1-CD2 3.89Å; F105-Y107 HydrophobicContact CE1-CD2 3.89Å; F105-Y107 AromaticContact CE1-CE1 3.85Å; F105-Y107 HydrophobicContact CE1-CE1 3.85Å; F105-Y107 AromaticContact CE1-CE2 3.6Å; F105-Y107 HydrophobicContact CE1-CE2 3.6Å; F105-Y107 HydrophobicContact CE1-CG 4.15Å; F105-Y107 AromaticContact CE1-CZ 3.57Å; F105-Y107 HydrophobicContact CZ-CE1 4.25Å; F105-E128 WeakPolarHBondContact CD2-O 3.48Å; F105-R129 WeakPolarHBondContact CB-O 3.22Å; F105-K131 HydrophobicContact CZ-CB 4.07Å
106	A	98.4	Very high	96.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	116.6	171.5	0	0	0	0	0	114.1	I83 L94 L98 I104 R129 C130 K131	I83-A106 HydrophobicContact CD1-CB 4.07Å; I83-A106 HydrophobicContact CG1-CB 3.82Å; L94-A106 HydrophobicContact CD1-CB 3.47Å; L94-A106 VanDerWaalsContact CD1-CB 3.47Å; L98-A106 HydrophobicContact CD2-CB 3.96Å; I104-A106 HydrophobicContact CG2-CB 4.4Å; A106-R129 PolarHBondContact N-O 3.18Å; A106-C130 HydrophobicContact CB-CB 4.45Å; A106-C130 CarbonylContact O-C 3.58Å; A106-C130 WeakPolarHBondContact O-CA 3.35Å; A106-C130 PolarHBondContact O-SG 3.23Å; A106-K131 PolarHBondContact O-N 3.4Å
107	Y	98.9	Very high	96.4	Very high	29 Å²	29	35.4 Å²	35.4	11%	0.114	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.3	151.6	-65.6	-80.2	0	0	0	108.4	T82 I83 L84 E85 F105 K131 F133 H145 V146 P147	T82-Y107 HydrophobicContact CG2-CD2 3.88Å; T82-Y107 HydrophobicContact CG2-CE2 3.7Å; I83-Y107 PolarHBondContact O-N 3.27Å; L84-Y107 CarbonylContact C-O 3.52Å; L84-Y107 VanDerWaalsContact CA-O 3.27Å; L84-Y107 WeakPolarHBondContact CA-O 3.32Å; E85-Y107 PolarHBondContact N-O 2.85Å; F105-Y107 HydrophobicContact CD1-CD2 4.37Å; F105-Y107 HydrophobicContact CD1-CE2 4.21Å; F105-Y107 HydrophobicContact CE1-CD1 4.12Å; F105-Y107 AromaticContact CE1-CD2 3.89Å; F105-Y107 HydrophobicContact CE1-CD2 3.89Å; F105-Y107 AromaticContact CE1-CE1 3.85Å; F105-Y107 HydrophobicContact CE1-CE1 3.85Å; F105-Y107 AromaticContact CE1-CE2 3.6Å; F105-Y107 HydrophobicContact CE1-CE2 3.6Å; F105-Y107 HydrophobicContact CE1-CG 4.15Å; F105-Y107 AromaticContact CE1-CZ 3.57Å; F105-Y107 HydrophobicContact CZ-CE1 4.25Å; Y107-K131 WeakPolarHBondContact CA-O 3.18Å; Y107-K131 HydrophobicContact CD1-CB 4.04Å; Y107-K131 HydrophobicContact CD1-CD 4.07Å; Y107-K131 HydrophobicContact CD1-CG 4.47Å; Y107-K131 HydrophobicContact CE1-CB 4.32Å; Y107-K131 HydrophobicContact CE1-CD 3.84Å; Y107-F133 HydrophobicContact CD1-CE1 4.41Å; Y107-H145 WeakPolarHBondContact CE1-O 3.41Å; Y107-V146 HydrophobicContact CD1-CB 4.46Å; Y107-V146 HydrophobicContact CD1-CG2 3.71Å; Y107-V146 HydrophobicContact CD2-CG1 3.88Å; Y107-V146 HydrophobicContact CD2-CG2 4.34Å; Y107-V146 HydrophobicContact CE1-CG2 4.21Å; Y107-V146 HydrophobicContact CE2-CG1 3.92Å; Y107-V146 HydrophobicContact CG-CG1 4.17Å; Y107-V146 HydrophobicContact CG-CG2 3.77Å; Y107-P147 VanDerWaalsContact OH-CD 3.31Å; Y107-P147 WeakPolarHBondContact OH-CD 3.11Å
108	A	98.8	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.6	176.8	0	0	0	0	0	109.4	E85 C88 L94 K131 V132 F133	E85-A108 WeakPolarHBondContact O-CA 3.41Å; C88-A108 HydrophobicContact CB-CB 3.93Å; L94-A108 HydrophobicContact CD1-CB 4.26Å; L94-A108 HydrophobicContact CD2-CB 3.92Å; A108-K131 PolarHBondContact N-O 3.1Å; A108-V132 HydrophobicContact CB-CB 4.28Å; A108-V132 HydrophobicContact CB-CG2 4.05Å; A108-V132 CarbonylContact O-C 3.34Å; A108-V132 VanDerWaalsContact O-CA 3.22Å; A108-V132 WeakPolarHBondContact O-CA 3.44Å; A108-F133 WeakPolarHBondContact O-CD1 3.46Å; A108-F133 PolarHBondContact O-N 3.44Å
109	C	98.8	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.9	175	67.3	0	0	0	0	112.7	E85 G87 C88 F133 C135	E85-C109 PolarHBondContact O-N 3.47Å; G87-C109 CarbonylContact C-O 3.57Å; G87-C109 WeakPolarHBondContact CA-O 3.4Å; G87-C109 PolarHBondContact N-O 2.93Å; C88-C109 PolarHBondContact N-O 3.2Å; C109-F133 WeakPolarHBondContact CA-O 3.45Å; C109-F133 HydrophobicContact CB-CD1 4.43Å; C109-F133 HydrophobicContact CB-CD2 3.76Å; C109-F133 HydrophobicContact CB-CE1 4.16Å; C109-F133 HydrophobicContact CB-CE2 3.44Å; C109-F133 VanDerWaalsContact CB-CE2 3.44Å; C109-F133 HydrophobicContact CB-CG 4.25Å; C109-F133 HydrophobicContact CB-CZ 3.66Å; C109-F133 WeakPolarHBondContact CB-O 3.48Å; C109-C135 HydrophobicContact CB-CB 3.74Å
110	D	98.8	Very high	97	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.053	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152	173.5	-159.5	-85.9	0	0	0	111	G89 S112 A115 V116 F133 Q134 C135	G89-D110 VanDerWaalsContact CA-OD2 3.23Å; G89-D110 WeakPolarHBondContact CA-OD2 3.36Å; G89-D110 PolarHBondContact N-OD2 3.3Å; D110-S112 VanDerWaalsContact C-N 3.27Å; D110-S112 PolarHBondContact O-N 2.84Å; D110-S112 WeakPolarHBondContact OD1-CB 3.39Å; D110-S112 PolarHBondContact OD1-N 2.63Å; D110-A115 HydrophobicContact CB-CB 4.07Å; D110-V116 HydrophobicContact CB-CG2 4.06Å; D110-F133 PolarHBondContact N-O 3.36Å; D110-Q134 WeakPolarHBondContact O-CA 3.32Å; D110-C135 CarbonylContact C-O 3.51Å; D110-C135 PolarHBondContact O-N 2.97Å
111	F	98.3	Very high	97.4	Very high	47 Å²	47	36.8 Å²	36.8	21%	0.206	18%	0.179	C	C	.	.	S	Bend	trans	-68.4	-30.9	177.8	-172.5	-150.1	0	0	0	111.9	A41 Q42 Q134 C135 D136	A41-F111 HydrophobicContact CB-CE1 3.84Å; A41-F111 HydrophobicContact CB-CZ 4.34Å; Q42-F111 HydrophobicContact CB-CD1 4.27Å; Q42-F111 HydrophobicContact CB-CD2 4.27Å; Q42-F111 HydrophobicContact CB-CE1 3.75Å; Q42-F111 HydrophobicContact CB-CE2 3.71Å; Q42-F111 HydrophobicContact CB-CZ 3.44Å; Q42-F111 VanDerWaalsContact CB-CZ 3.44Å; Q42-F111 HydrophobicContact CG-CD2 4.09Å; Q42-F111 HydrophobicContact CG-CE1 4.44Å; Q42-F111 HydrophobicContact CG-CE2 3.95Å; Q42-F111 HydrophobicContact CG-CG 4.38Å; Q42-F111 HydrophobicContact CG-CZ 4.17Å; Q42-F111 WeakPolarHBondContact CG-O 3.37Å; Q42-F111 PolarHBondContact NE2-O 2.95Å; F111-Q134 PolarHBondContact O-NE2 3.01Å; F111-C135 WeakPolarHBondContact CA-O 3.17Å; F111-D136 HydrophobicContact CD2-CB 3.76Å; F111-D136 HydrophobicContact CE2-CB 3.57Å; F111-D136 VanDerWaalsContact CE2-CG 3.42Å; F111-D136 WeakPolarHBondContact CE2-OD2 2.92Å
112	S	98.4	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.			trans	-86.8	119.8	179.8	173.9	0	0	0	0	111.6	Y49 D110 R114 A115 V116	Y49-S112 WeakPolarHBondContact CD2-OG 3.42Å; D110-S112 VanDerWaalsContact C-N 3.27Å; D110-S112 PolarHBondContact O-N 2.84Å; D110-S112 WeakPolarHBondContact OD1-CB 3.39Å; D110-S112 PolarHBondContact OD1-N 2.63Å; S112-R114 PolarHBondContact O-N 3.01Å; S112-R114 PolarHBondContact OG-N 2.8Å; S112-A115 WeakPolarHBondContact O-CB 3.18Å; S112-A115 PolarHBondContact O-N 2.78Å; S112-A115 VanDerWaalsContact O-N 3.12Å; S112-A115 PolarHBondContact OG-N 3.4Å; S112-V116 PolarHBondContact O-N 2.96Å
113	P	98.2	Very high	97.9	Very high	53 Å²	53	39.4 Å²	39.4	34%	0.344	20%	0.196	S	C	.	.	H	α-helix	trans	-61.9	-30.5	175.5	23.3	-29.1	0	0	0	112.1	E117 Q134	P113-E117 PolarHBondContact O-N 2.66Å; P113-Q134 HydrophobicContact CB-CG 4.44Å
114	R	98.4	Very high	98.1	Very high	76 Å²	76	40.8 Å²	40.8	29%	0.287	20%	0.203	S	C	.	.	H	α-helix	trans	-71.1	-34.8	176.6	179.9	-173.9	-50.3	-78.7	-8.4	113.1	D46 K50 S112 V116 E117 Y118	D46-R114 PolarHBondContact O-NE 2.88Å; D46-R114 WeakPolarHBondContact OD1-CB 3.44Å; D46-R114 IonicContact OD1-CZ 2.96Å; D46-R114 IonicContact OD1-NE 3.63Å; D46-R114 PolarHBondContact OD1-NE 2.78Å; D46-R114 IonicContact OD1-NH2 2.71Å; D46-R114 IonicContact OD2-CZ 3.24Å; D46-R114 IonicContact OD2-NE 2.66Å; D46-R114 PolarHBondContact OD2-NE 3.01Å; D46-R114 IonicContact OD2-NH2 3.58Å; D46-R114 PolarHBondContact OD2-NH2 2.84Å; K50-R114 VanDerWaalsContact N-CD 3.32Å; S112-R114 PolarHBondContact O-N 3.01Å; S112-R114 PolarHBondContact OG-N 2.8Å; R114-V116 VanDerWaalsContact C-N 3.33Å; R114-E117 PolarHBondContact O-N 2.64Å; R114-Y118 HydrophobicContact CG-CD2 4.04Å; R114-Y118 HydrophobicContact CG-CE2 3.53Å; R114-Y118 WeakPolarHBondContact O-CD2 3.41Å; R114-Y118 PolarHBondContact O-N 3.48Å
115	A	98.4	Very high	98.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63	-46.4	175.4	0	0	0	0	0	110.2	Y49 G89 D110 S112 E117 Y118 V119	Y49-A115 HydrophobicContact CD1-CB 4.25Å; Y49-A115 HydrophobicContact CD2-CB 3.77Å; Y49-A115 HydrophobicContact CE1-CB 4.14Å; Y49-A115 HydrophobicContact CE2-CB 3.63Å; Y49-A115 HydrophobicContact CG-CB 4.08Å; G89-A115 WeakPolarHBondContact O-CB 3.49Å; D110-A115 HydrophobicContact CB-CB 4.07Å; S112-A115 WeakPolarHBondContact O-CB 3.18Å; S112-A115 PolarHBondContact O-N 2.78Å; S112-A115 VanDerWaalsContact O-N 3.12Å; S112-A115 PolarHBondContact OG-N 3.4Å; A115-E117 VanDerWaalsContact C-N 3.31Å; A115-E117 PolarHBondContact O-N 2.85Å; A115-Y118 PolarHBondContact O-N 3.31Å; A115-Y118 VanDerWaalsContact O-N 3.14Å; A115-V119 PolarHBondContact O-N 2.94Å
116	V	98.7	Very high	98.2	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.042	22%	0.224	C	C	.	.	H	α-helix	trans	-56.1	-44.3	172.7	172.3	0	0	0	0	111.7	D110 S112 R114 V119 K120 V132 F133 Q134	D110-V116 HydrophobicContact CB-CG2 4.06Å; S112-V116 PolarHBondContact O-N 2.96Å; R114-V116 VanDerWaalsContact C-N 3.33Å; V116-V119 PolarHBondContact O-N 3.09Å; V116-K120 HydrophobicContact CG1-CD 4.45Å; V116-K120 WeakPolarHBondContact O-CG 3.28Å; V116-K120 PolarHBondContact O-N 2.81Å; V116-V132 HydrophobicContact CB-CG2 4.44Å; V116-V132 HydrophobicContact CG1-CG1 4.22Å; V116-V132 HydrophobicContact CG1-CG2 4.08Å; V116-V132 HydrophobicContact CG2-CG2 4.28Å; V116-F133 WeakPolarHBondContact CG2-O 3.3Å; V116-Q134 HydrophobicContact CG2-CB 4.32Å
117	E	98.6	Very high	98.2	Very high	87 Å²	87	49.6 Å²	49.6	41%	0.407	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-41.7	177	-175.6	57.7	-153.8	0	0	112.1	P113 R114 A115 V119 K120 Q121	P113-E117 PolarHBondContact O-N 2.66Å; R114-E117 PolarHBondContact O-N 2.64Å; A115-E117 VanDerWaalsContact C-N 3.31Å; A115-E117 PolarHBondContact O-N 2.85Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 2.89Å; E117-K120 PolarHBondContact O-N 2.79Å; E117-Q121 VanDerWaalsContact O-CG 3.3Å; E117-Q121 WeakPolarHBondContact O-CG 3.37Å; E117-Q121 PolarHBondContact O-N 3.16Å; E117-Q121 PolarHBondContact OE1-NE2 3.33Å
118	Y	98.5	Very high	98.1	Very high	41 Å²	41	54.9 Å²	54.9	16%	0.161	28%	0.277	C	S	.	.	H	α-helix	trans	-63.8	-35.4	174.8	-70.3	-39.7	0	0	0	113.1	T54 V90 R114 A115 Q121 N122	T54-Y118 HydrophobicContact CG2-CD1 4.44Å; T54-Y118 HydrophobicContact CG2-CD2 4.49Å; T54-Y118 HydrophobicContact CG2-CG 4.11Å; V90-Y118 HydrophobicContact CG1-CD2 3.73Å; V90-Y118 HydrophobicContact CG1-CG 4.26Å; R114-Y118 HydrophobicContact CG-CD2 4.04Å; R114-Y118 HydrophobicContact CG-CE2 3.53Å; R114-Y118 WeakPolarHBondContact O-CD2 3.41Å; R114-Y118 PolarHBondContact O-N 3.48Å; A115-Y118 PolarHBondContact O-N 3.31Å; A115-Y118 VanDerWaalsContact O-N 3.14Å; Y118-Q121 PolarHBondContact O-N 3.16Å; Y118-N122 PolarHBondContact O-N 3.1Å
119	V	98.6	Very high	98	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.5	-47.4	171.9	175.7	0	0	0	0	110.1	G89 L94 F95 A115 V116 E117 Q121 N122 Y125 V132	G89-V119 VanDerWaalsContact O-CG2 3.32Å; G89-V119 WeakPolarHBondContact O-CG2 3.35Å; L94-V119 HydrophobicContact CD2-CG1 3.79Å; F95-V119 HydrophobicContact CE2-CG1 4.18Å; F95-V119 HydrophobicContact CZ-CB 4.49Å; F95-V119 HydrophobicContact CZ-CG1 3.73Å; A115-V119 PolarHBondContact O-N 2.94Å; V116-V119 PolarHBondContact O-N 3.09Å; E117-V119 VanDerWaalsContact C-N 3.32Å; E117-V119 PolarHBondContact O-N 2.89Å; V119-Q121 VanDerWaalsContact C-N 3.26Å; V119-Q121 PolarHBondContact O-N 3.21Å; V119-N122 VanDerWaalsContact O-CB 3.26Å; V119-N122 WeakPolarHBondContact O-CB 3.07Å; V119-N122 PolarHBondContact O-N 2.92Å; V119-N122 VanDerWaalsContact O-N 3.11Å; V119-Y125 HydrophobicContact CG1-CD2 4.14Å; V119-Y125 WeakPolarHBondContact O-CB 3.37Å; V119-V132 HydrophobicContact CB-CG1 4.22Å; V119-V132 HydrophobicContact CB-CG2 4.09Å; V119-V132 HydrophobicContact CG1-CB 3.93Å; V119-V132 HydrophobicContact CG1-CG1 3.83Å; V119-V132 HydrophobicContact CG1-CG2 3.92Å; V119-V132 HydrophobicContact CG2-CG2 4.42Å
120	K	98.6	Very high	98	Very high	99 Å²	99	57.1 Å²	57.1	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-30.4	179.2	-69.6	178.4	179.5	178.1	0	113.8	V116 E117 N122 Y125 V132	V116-K120 HydrophobicContact CG1-CD 4.45Å; V116-K120 WeakPolarHBondContact O-CG 3.28Å; V116-K120 PolarHBondContact O-N 2.81Å; E117-K120 PolarHBondContact O-N 2.79Å; K120-N122 VanDerWaalsContact C-N 3.33Å; K120-Y125 HydrophobicContact CB-CD1 4.37Å; K120-Y125 HydrophobicContact CB-CE1 4.46Å; K120-Y125 HydrophobicContact CG-CD1 4.46Å; K120-Y125 HydrophobicContact CG-CE1 4.1Å; K120-V132 HydrophobicContact CD-CG1 4.35Å; K120-V132 HydrophobicContact CG-CG1 3.52Å
121	Q	98.1	Very high	98	Very high	118 Å²	118	60.6 Å²	60.6	55%	0.551	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.1	178	-70.4	174.6	5.9	0	0	113.5	E117 Y118 V119	E117-Q121 VanDerWaalsContact O-CG 3.3Å; E117-Q121 WeakPolarHBondContact O-CG 3.37Å; E117-Q121 PolarHBondContact O-N 3.16Å; E117-Q121 PolarHBondContact OE1-NE2 3.33Å; Y118-Q121 PolarHBondContact O-N 3.16Å; V119-Q121 VanDerWaalsContact C-N 3.26Å; V119-Q121 PolarHBondContact O-N 3.21Å
122	N	97.7	Very high	98	Very high	48 Å²	48	58.7 Å²	58.7	26%	0.257	29%	0.292	S	S	.	.	S	Bend	trans	-67.3	133.2	178.1	-169.2	-56.1	0	0	0	110	F95 Y118 V119 K120 L124 Y125	F95-N122 HydrophobicContact CD2-CB 4.42Å; F95-N122 WeakPolarHBondContact CD2-ND2 3.43Å; F95-N122 HydrophobicContact CE1-CB 4.05Å; F95-N122 HydrophobicContact CE2-CB 3.54Å; F95-N122 VanDerWaalsContact CE2-CG 3.44Å; F95-N122 WeakPolarHBondContact CE2-ND2 2.9Å; F95-N122 HydrophobicContact CZ-CB 3.32Å; Y118-N122 PolarHBondContact O-N 3.1Å; V119-N122 VanDerWaalsContact O-CB 3.26Å; V119-N122 WeakPolarHBondContact O-CB 3.07Å; V119-N122 PolarHBondContact O-N 2.92Å; V119-N122 VanDerWaalsContact O-N 3.11Å; K120-N122 VanDerWaalsContact C-N 3.33Å; N122-L124 PolarHBondContact O-N 2.82Å; N122-L124 VanDerWaalsContact O-N 3.09Å; N122-L124 WeakPolarHBondContact OD1-CB 3.42Å; N122-L124 PolarHBondContact OD1-N 3.13Å; N122-Y125 VanDerWaalsContact O-CB 3.26Å; N122-Y125 WeakPolarHBondContact O-CB 3.35Å; N122-Y125 PolarHBondContact O-N 2.77Å
123	P	96.7	Very high	98	Very high	131 Å²	131	59.2 Å²	59.2	85%	0.851	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-22	177.8	-26.2	35.1	0	0	0	115.3	Y125	P123-Y125 VanDerWaalsContact C-N 3.32Å
124	L	96.1	Very high	98.1	Very high	80 Å²	80	60.4 Å²	60.4	42%	0.419	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-2.6	176.9	-59.6	176	0	0	0	113	F95 E99 N122 D126	F95-L124 HydrophobicContact CB-CD1 4.1Å; F95-L124 HydrophobicContact CD1-CB 3.62Å; F95-L124 HydrophobicContact CD1-CD1 4.42Å; F95-L124 HydrophobicContact CE1-CB 3.99Å; F95-L124 HydrophobicContact CG-CB 4.36Å; F95-L124 HydrophobicContact CG-CD1 4.44Å; E99-L124 HydrophobicContact CG-CD1 3.97Å; E99-L124 WeakPolarHBondContact OE1-CD1 3.31Å; N122-L124 PolarHBondContact O-N 2.82Å; N122-L124 VanDerWaalsContact O-N 3.09Å; N122-L124 WeakPolarHBondContact OD1-CB 3.42Å; N122-L124 PolarHBondContact OD1-N 3.13Å; L124-D126 PolarHBondContact O-N 3.23Å
125	Y	98.1	Very high	98.1	Very high	52 Å²	52	56.9 Å²	56.9	20%	0.204	28%	0.282	C	S	.	.			trans	-72.5	112	177.3	-175.2	-112.2	0	0	0	110.7	V119 K120 N122 P123 T127 C130 V132	V119-Y125 HydrophobicContact CG1-CD2 4.14Å; V119-Y125 WeakPolarHBondContact O-CB 3.37Å; K120-Y125 HydrophobicContact CB-CD1 4.37Å; K120-Y125 HydrophobicContact CB-CE1 4.46Å; K120-Y125 HydrophobicContact CG-CD1 4.46Å; K120-Y125 HydrophobicContact CG-CE1 4.1Å; N122-Y125 VanDerWaalsContact O-CB 3.26Å; N122-Y125 WeakPolarHBondContact O-CB 3.35Å; N122-Y125 PolarHBondContact O-N 2.77Å; P123-Y125 VanDerWaalsContact C-N 3.32Å; Y125-T127 HydrophobicContact CE1-CG2 3.86Å; Y125-C130 HydrophobicContact CD2-CB 4.19Å; Y125-C130 HydrophobicContact CE2-CB 3.84Å; Y125-C130 WeakPolarHBondContact CE2-O 3.47Å; Y125-C130 PolarHBondContact OH-O 2.63Å; Y125-V132 HydrophobicContact CD2-CG1 4.47Å; Y125-V132 HydrophobicContact CE2-CB 4.3Å; Y125-V132 HydrophobicContact CE2-CG1 3.74Å
126	D	97.8	Very high	98.1	Very high	72 Å²	72	57.7 Å²	57.7	39%	0.385	29%	0.287	S	S	.	.			trans	-121.8	121.7	177	175.7	3.6	0	0	0	109.1	L124 E128 R129 C130	L124-D126 PolarHBondContact O-N 3.23Å; D126-E128 PolarHBondContact O-N 3.04Å; D126-E128 WeakPolarHBondContact OD1-CB 3.48Å; D126-E128 PolarHBondContact OD1-N 3.21Å; D126-R129 HydrophobicContact CB-CB 4.15Å; D126-R129 HydrophobicContact CB-CG 4.32Å; D126-R129 CarbonylContact O-C 3.57Å; D126-R129 PolarHBondContact O-N 2.81Å; D126-R129 WeakPolarHBondContact OD2-CG 3.45Å; D126-C130 PolarHBondContact O-N 3.06Å
127	T	97.6	Very high	98.1	Very high	91 Å²	91	58.1 Å²	58.1	56%	0.558	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-21.3	-179	50.6	0	0	0	0	113.5	Y125 R129	Y125-T127 HydrophobicContact CE1-CG2 3.86Å; T127-R129 PolarHBondContact O-N 3.18Å
128	E	97.3	Very high	98.1	Very high	141 Å²	141	55.1 Å²	55.1	66%	0.659	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.6	173.6	-63.8	-57.2	134.8	0	0	112.6	F105 D126	F105-E128 WeakPolarHBondContact CD2-O 3.48Å; D126-E128 PolarHBondContact O-N 3.04Å; D126-E128 WeakPolarHBondContact OD1-CB 3.48Å; D126-E128 PolarHBondContact OD1-N 3.21Å
129	R	97.1	Very high	98	Very high	47 Å²	47	60.3 Å²	60.3	18%	0.177	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-20.6	-177.2	-65.7	-56.8	-46.8	-78.2	-5	113.6	D101 P102 I104 F105 A106 D126 T127	D101-R129 PolarHBondContact O-NH2 2.91Å; P102-R129 VanDerWaalsContact C-CZ 3.47Å; P102-R129 PolarHBondContact O-NH1 3.25Å; P102-R129 PolarHBondContact O-NH2 3.36Å; I104-R129 VanDerWaalsContact C-NH2 3.31Å; I104-R129 VanDerWaalsContact CA-NH2 3.3Å; I104-R129 PolarHBondContact O-NE 3.42Å; I104-R129 PolarHBondContact O-NH2 3.29Å; F105-R129 WeakPolarHBondContact CB-O 3.22Å; A106-R129 PolarHBondContact N-O 3.18Å; D126-R129 HydrophobicContact CB-CB 4.15Å; D126-R129 HydrophobicContact CB-CG 4.32Å; D126-R129 CarbonylContact O-C 3.57Å; D126-R129 PolarHBondContact O-N 2.81Å; D126-R129 WeakPolarHBondContact OD2-CG 3.45Å; T127-R129 PolarHBondContact O-N 3.18Å
130	C	98.1	Very high	98	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	131.5	-177	-173.9	0	0	0	0	113.9	L98 A106 Y125 D126	L98-C130 HydrophobicContact CD1-CB 3.98Å; A106-C130 HydrophobicContact CB-CB 4.45Å; A106-C130 CarbonylContact O-C 3.58Å; A106-C130 WeakPolarHBondContact O-CA 3.35Å; A106-C130 PolarHBondContact O-SG 3.23Å; Y125-C130 HydrophobicContact CD2-CB 4.19Å; Y125-C130 HydrophobicContact CE2-CB 3.84Å; Y125-C130 WeakPolarHBondContact CE2-O 3.47Å; Y125-C130 PolarHBondContact OH-O 2.63Å; D126-C130 PolarHBondContact O-N 3.06Å
131	K	98.7	Very high	98	Very high	83 Å²	83	61.7 Å²	61.7	36%	0.361	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	106.3	166.1	-175.7	-177.1	177.5	-175.7	0	109.6	F105 A106 Y107 A108 H145	F105-K131 HydrophobicContact CZ-CB 4.07Å; A106-K131 PolarHBondContact O-N 3.4Å; Y107-K131 WeakPolarHBondContact CA-O 3.18Å; Y107-K131 HydrophobicContact CD1-CB 4.04Å; Y107-K131 HydrophobicContact CD1-CD 4.07Å; Y107-K131 HydrophobicContact CD1-CG 4.47Å; Y107-K131 HydrophobicContact CE1-CB 4.32Å; Y107-K131 HydrophobicContact CE1-CD 3.84Å; A108-K131 PolarHBondContact N-O 3.1Å; K131-H145 PolarHBondContact NZ-O 3.25Å
132	V	98.8	Very high	98.1	Very high	7 Å²	7	56 Å²	56	4%	0.042	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.4	174.6	70.1	0	0	0	0	111.9	A108 V116 V119 K120 Y125	A108-V132 HydrophobicContact CB-CB 4.28Å; A108-V132 HydrophobicContact CB-CG2 4.05Å; A108-V132 CarbonylContact O-C 3.34Å; A108-V132 VanDerWaalsContact O-CA 3.22Å; A108-V132 WeakPolarHBondContact O-CA 3.44Å; V116-V132 HydrophobicContact CB-CG2 4.44Å; V116-V132 HydrophobicContact CG1-CG1 4.22Å; V116-V132 HydrophobicContact CG1-CG2 4.08Å; V116-V132 HydrophobicContact CG2-CG2 4.28Å; V119-V132 HydrophobicContact CB-CG1 4.22Å; V119-V132 HydrophobicContact CB-CG2 4.09Å; V119-V132 HydrophobicContact CG1-CB 3.93Å; V119-V132 HydrophobicContact CG1-CG1 3.83Å; V119-V132 HydrophobicContact CG1-CG2 3.92Å; V119-V132 HydrophobicContact CG2-CG2 4.42Å; K120-V132 HydrophobicContact CD-CG1 4.35Å; K120-V132 HydrophobicContact CG-CG1 3.52Å; Y125-V132 HydrophobicContact CD2-CG1 4.47Å; Y125-V132 HydrophobicContact CE2-CB 4.3Å; Y125-V132 HydrophobicContact CE2-CG1 3.74Å
133	F	98.8	Very high	98.1	Very high	11 Å²	11	57 Å²	57	5%	0.048	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	157.2	-179.1	57.2	-85.2	0	0	0	112.4	Y107 A108 C109 D110 V116 C135 L142 H145 V146	Y107-F133 HydrophobicContact CD1-CE1 4.41Å; A108-F133 WeakPolarHBondContact O-CD1 3.46Å; A108-F133 PolarHBondContact O-N 3.44Å; C109-F133 WeakPolarHBondContact CA-O 3.45Å; C109-F133 HydrophobicContact CB-CD1 4.43Å; C109-F133 HydrophobicContact CB-CD2 3.76Å; C109-F133 HydrophobicContact CB-CE1 4.16Å; C109-F133 HydrophobicContact CB-CE2 3.44Å; C109-F133 VanDerWaalsContact CB-CE2 3.44Å; C109-F133 HydrophobicContact CB-CG 4.25Å; C109-F133 HydrophobicContact CB-CZ 3.66Å; C109-F133 WeakPolarHBondContact CB-O 3.48Å; D110-F133 PolarHBondContact N-O 3.36Å; V116-F133 WeakPolarHBondContact CG2-O 3.3Å; F133-C135 HydrophobicContact CD2-CB 3.98Å; F133-C135 HydrophobicContact CE2-CB 3.84Å; F133-L142 HydrophobicContact CE2-CD2 3.96Å; F133-L142 HydrophobicContact CZ-CD2 3.91Å; F133-H145 HydrophobicContact CD1-CB 3.8Å; F133-H145 HydrophobicContact CD2-CB 3.83Å; F133-H145 AromaticContact CD2-CD2 3.18Å; F133-H145 WeakPolarHBondContact CD2-CD2 3.45Å; F133-H145 AromaticContact CD2-CG 3.44Å; F133-H145 VanDerWaalsContact CD2-CG 3.44Å; F133-H145 AromaticContact CD2-NE2 3.75Å; F133-H145 HydrophobicContact CE1-CB 3.65Å; F133-H145 HydrophobicContact CE2-CB 3.67Å; F133-H145 AromaticContact CE2-CD2 3.48Å; F133-H145 VanDerWaalsContact CE2-CD2 3.48Å; F133-H145 WeakPolarHBondContact CE2-CD2 3.19Å; F133-H145 AromaticContact CE2-CG 3.73Å; F133-H145 HydrophobicContact CG-CB 3.88Å; F133-H145 AromaticContact CG-CD2 3.81Å; F133-H145 AromaticContact CG-CG 3.6Å; F133-H145 AromaticContact CG-ND1 3.96Å; F133-H145 HydrophobicContact CZ-CB 3.59Å; F133-V146 HydrophobicContact CE1-CG2 4.01Å; F133-V146 HydrophobicContact CZ-CG2 3.81Å
134	Q	98.7	Very high	98.2	Very high	77 Å²	77	56.6 Å²	56.6	36%	0.36	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.8	172.6	-175.3	-173.8	5.7	0	0	109.3	Q42 D110 F111 P113 V116	Q42-Q134 VanDerWaalsContact NE2-NE2 3.14Å; D110-Q134 WeakPolarHBondContact O-CA 3.32Å; F111-Q134 PolarHBondContact O-NE2 3.01Å; P113-Q134 HydrophobicContact CB-CG 4.44Å; V116-Q134 HydrophobicContact CG2-CB 4.32Å
135	C	98.6	Very high	98.3	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.014	28%	0.275	C	S	.	.			trans	-153.7	122.9	177.4	-174.1	0	0	0	0	111.2	C109 D110 F111 F133 L137	C109-C135 HydrophobicContact CB-CB 3.74Å; D110-C135 CarbonylContact C-O 3.51Å; D110-C135 PolarHBondContact O-N 2.97Å; F111-C135 WeakPolarHBondContact CA-O 3.17Å; F133-C135 HydrophobicContact CD2-CB 3.98Å; F133-C135 HydrophobicContact CE2-CB 3.84Å; C135-L137 PolarHBondContact O-N 2.83Å
136	D	98.6	Very high	98.3	Very high	17 Å²	17	53.4 Å²	53.4	9%	0.091	27%	0.266	C	S	.	.			trans	-79.5	96.8	156.6	-174.6	-18.7	0	0	0	108.2	F111 T138 K139 D140	F111-D136 HydrophobicContact CD2-CB 3.76Å; F111-D136 HydrophobicContact CE2-CB 3.57Å; F111-D136 VanDerWaalsContact CE2-CG 3.42Å; F111-D136 WeakPolarHBondContact CE2-OD2 2.92Å; D136-T138 PolarHBondContact O-N 3.42Å; D136-T138 WeakPolarHBondContact OD1-CB 3.37Å; D136-T138 PolarHBondContact OD1-N 3.45Å; D136-T138 PolarHBondContact OD1-OG1 2.93Å; D136-K139 HydrophobicContact CB-CB 4.3Å; D136-K139 PolarHBondContact O-N 3.38Å; D136-K139 WeakPolarHBondContact OD2-CD 3.5Å; D136-K139 WeakPolarHBondContact OD2-CE 3.27Å; D136-K139 IonicContact OD2-NZ 3.1Å; D136-D140 PolarHBondContact N-OD2 3.14Å; D136-D140 PolarHBondContact O-N 2.9Å
137	L	98.6	Very high	98.4	Very high	16 Å²	16	53 Å²	53	8%	0.084	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-15.8	-178.3	-70.3	164.5	0	0	0	114.1	A86 C135 L142 V159 V171 N174	A86-L137 HydrophobicContact CB-CD1 3.87Å; A86-L137 HydrophobicContact CB-CD2 4.5Å; C135-L137 PolarHBondContact O-N 2.83Å; L137-L142 HydrophobicContact CD2-CD1 4.01Å; L137-L142 HydrophobicContact CD2-CD2 3.92Å; L137-L142 HydrophobicContact CD2-CG 4.12Å; L137-V159 HydrophobicContact CD1-CG1 4.31Å; L137-V171 HydrophobicContact CB-CB 4.37Å; L137-V171 HydrophobicContact CB-CG1 4Å; L137-V171 HydrophobicContact CB-CG2 3.91Å; L137-V171 HydrophobicContact CD1-CG1 4.06Å; L137-N174 PolarHBondContact O-ND2 3.41Å
138	T	98.4	Very high	98.4	Very high	25 Å²	25	53.3 Å²	53.3	15%	0.153	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-7	178	73.3	0	0	0	0	113.9	D136 V163 K167 V171	D136-T138 PolarHBondContact O-N 3.42Å; D136-T138 WeakPolarHBondContact OD1-CB 3.37Å; D136-T138 PolarHBondContact OD1-N 3.45Å; D136-T138 PolarHBondContact OD1-OG1 2.93Å; T138-V163 HydrophobicContact CG2-CG1 3.71Å; T138-K167 HydrophobicContact CG2-CB 3.97Å; T138-K167 HydrophobicContact CG2-CD 4.49Å; T138-V171 HydrophobicContact CG2-CG2 3.8Å
139	K	98	Very high	98.4	Very high	149 Å²	149	47.9 Å²	47.9	65%	0.648	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.6	-45.2	-174.2	-63.3	-177.3	-168.2	158.3	0	114.1	D136	D136-K139 HydrophobicContact CB-CB 4.3Å; D136-K139 PolarHBondContact O-N 3.38Å; D136-K139 WeakPolarHBondContact OD2-CD 3.5Å; D136-K139 WeakPolarHBondContact OD2-CE 3.27Å; D136-K139 IonicContact OD2-NZ 3.1Å
140	D	98.5	Very high	98.5	Very high	76 Å²	76	47 Å²	47	41%	0.406	25%	0.253	S	S	.	.	S	Bend	trans	-79.6	147.9	-176.2	-56.9	-28.1	0	0	0	109.8	D136 N174	D136-D140 PolarHBondContact N-OD2 3.14Å; D136-D140 PolarHBondContact O-N 2.9Å; D140-N174 PolarHBondContact O-ND2 3.37Å
141	D	98.4	Very high	98.5	Very high	52 Å²	52	47 Å²	47	28%	0.278	25%	0.253	S	S	.	.			trans	-88.1	122.7	177.9	-157	-29.8	0	0	0	110.5	L143 D144 K177	D141-L143 PolarHBondContact O-N 2.94Å; D141-L143 VanDerWaalsContact O-N 3.12Å; D141-L143 WeakPolarHBondContact OD1-CB 3.39Å; D141-L143 WeakPolarHBondContact OD1-CG 3.36Å; D141-L143 PolarHBondContact OD1-N 3.39Å; D141-L143 VanDerWaalsContact OD1-N 3.08Å; D141-D144 WeakPolarHBondContact O-CB 3.41Å; D141-D144 PolarHBondContact O-N 2.85Å; D141-D144 VanDerWaalsContact O-N 3.11Å; D141-K177 IonicContact OD1-NZ 2.64Å; D141-K177 PolarHBondContact OD1-NZ 2.84Å; D141-K177 VanDerWaalsContact OD1-NZ 3.1Å; D141-K177 IonicContact OD2-NZ 2.93Å; D141-K177 PolarHBondContact OD2-NZ 3.34Å
142	L	98.8	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.1	-23.7	175.8	-77.8	171.6	0	0	0	112.2	L84 F133 L137 D144 H145 V146 N174 I175 V178	L84-L142 HydrophobicContact CD2-CD1 3.91Å; L84-L142 HydrophobicContact CD2-CD2 4.36Å; F133-L142 HydrophobicContact CE2-CD2 3.96Å; F133-L142 HydrophobicContact CZ-CD2 3.91Å; L137-L142 HydrophobicContact CD2-CD1 4.01Å; L137-L142 HydrophobicContact CD2-CD2 3.92Å; L137-L142 HydrophobicContact CD2-CG 4.12Å; L142-D144 PolarHBondContact O-N 3.39Å; L142-H145 PolarHBondContact O-N 3.39Å; L142-V146 PolarHBondContact O-N 2.89Å; L142-N174 WeakPolarHBondContact CB-OD1 3.47Å; L142-N174 HydrophobicContact CD1-CB 4.32Å; L142-N174 PolarHBondContact N-OD1 3.48Å; L142-I175 HydrophobicContact CD1-CG1 4.1Å; L142-V178 HydrophobicContact CB-CG1 3.84Å; L142-V178 HydrophobicContact CD1-CG2 4.05Å
143	L	98.7	Very high	98.4	Very high	68 Å²	68	42.9 Å²	42.9	36%	0.356	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-62.3	-19.3	177.2	-65.4	178.9	0	0	0	114	D141 H145 V146 P148 K177 V178	D141-L143 PolarHBondContact O-N 2.94Å; D141-L143 VanDerWaalsContact O-N 3.12Å; D141-L143 WeakPolarHBondContact OD1-CB 3.39Å; D141-L143 WeakPolarHBondContact OD1-CG 3.36Å; D141-L143 PolarHBondContact OD1-N 3.39Å; D141-L143 VanDerWaalsContact OD1-N 3.08Å; L143-H145 PolarHBondContact O-N 2.98Å; L143-V146 WeakPolarHBondContact CA-O 3.34Å; L143-P148 HydrophobicContact CD2-CB 3.73Å; L143-P148 HydrophobicContact CD2-CG 4.44Å; L143-K177 HydrophobicContact CD1-CB 4.32Å; L143-K177 HydrophobicContact CD1-CD 3.95Å; L143-K177 HydrophobicContact CD2-CB 4.14Å; L143-K177 HydrophobicContact CG-CB 4.19Å; L143-K177 HydrophobicContact CG-CD 4.15Å; L143-V178 HydrophobicContact CD2-CG1 3.88Å
144	D	98.4	Very high	98.3	Very high	123 Å²	123	42.4 Å²	42.4	66%	0.658	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-68.4	-20.7	174.7	-67.3	-25	0	0	0	112.4	D141 L142	D141-D144 WeakPolarHBondContact O-CB 3.41Å; D141-D144 PolarHBondContact O-N 2.85Å; D141-D144 VanDerWaalsContact O-N 3.11Å; L142-D144 PolarHBondContact O-N 3.39Å
145	H	98.4	Very high	98.3	Very high	64 Å²	64	38.7 Å²	38.7	30%	0.296	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	-27.5	-175.2	-62.6	-67.8	0	0	0	114.2	Y107 K131 F133 L142 L143	Y107-H145 WeakPolarHBondContact CE1-O 3.41Å; K131-H145 PolarHBondContact NZ-O 3.25Å; F133-H145 HydrophobicContact CD1-CB 3.8Å; F133-H145 HydrophobicContact CD2-CB 3.83Å; F133-H145 AromaticContact CD2-CD2 3.18Å; F133-H145 WeakPolarHBondContact CD2-CD2 3.45Å; F133-H145 AromaticContact CD2-CG 3.44Å; F133-H145 VanDerWaalsContact CD2-CG 3.44Å; F133-H145 AromaticContact CD2-NE2 3.75Å; F133-H145 HydrophobicContact CE1-CB 3.65Å; F133-H145 HydrophobicContact CE2-CB 3.67Å; F133-H145 AromaticContact CE2-CD2 3.48Å; F133-H145 VanDerWaalsContact CE2-CD2 3.48Å; F133-H145 WeakPolarHBondContact CE2-CD2 3.19Å; F133-H145 AromaticContact CE2-CG 3.73Å; F133-H145 HydrophobicContact CG-CB 3.88Å; F133-H145 AromaticContact CG-CD2 3.81Å; F133-H145 AromaticContact CG-CG 3.6Å; F133-H145 AromaticContact CG-ND1 3.96Å; F133-H145 HydrophobicContact CZ-CB 3.59Å; L142-H145 PolarHBondContact O-N 3.39Å; L143-H145 PolarHBondContact O-N 2.98Å
146	V	98.8	Very high	98.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-126.1	125.1	-171.7	-172.6	0	0	0	0	109.2	Y107 F133 L142 L143 V151 V178	Y107-V146 HydrophobicContact CD1-CB 4.46Å; Y107-V146 HydrophobicContact CD1-CG2 3.71Å; Y107-V146 HydrophobicContact CD2-CG1 3.88Å; Y107-V146 HydrophobicContact CD2-CG2 4.34Å; Y107-V146 HydrophobicContact CE1-CG2 4.21Å; Y107-V146 HydrophobicContact CE2-CG1 3.92Å; Y107-V146 HydrophobicContact CG-CG1 4.17Å; Y107-V146 HydrophobicContact CG-CG2 3.77Å; F133-V146 HydrophobicContact CE1-CG2 4.01Å; F133-V146 HydrophobicContact CZ-CG2 3.81Å; L142-V146 PolarHBondContact O-N 2.89Å; L143-V146 WeakPolarHBondContact CA-O 3.34Å; V146-V151 HydrophobicContact CG1-CG2 3.61Å; V146-V178 HydrophobicContact CB-CB 4.3Å; V146-V178 HydrophobicContact CB-CG1 3.83Å; V146-V178 HydrophobicContact CG1-CB 3.83Å; V146-V178 HydrophobicContact CG1-CG1 3.9Å; V146-V178 HydrophobicContact CG1-CG2 4.48Å
147	P	98.5	Very high	98.3	Very high	62 Å²	62	38.4 Å²	38.4	40%	0.403	21%	0.214	S	C	.	.			trans	-59.4	149.8	178.8	-22.4	32.4	0	0	0	113	Y107 G149 S150	Y107-P147 VanDerWaalsContact OH-CD 3.31Å; Y107-P147 WeakPolarHBondContact OH-CD 3.11Å; P147-G149 PolarHBondContact O-N 2.87Å; P147-S150 PolarHBondContact O-N 3.47Å; P147-S150 PolarHBondContact O-OG 3.29Å
148	P	98.4	Very high	98.2	Very high	99 Å²	99	40 Å²	40	64%	0.643	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	135.8	178.9	25.8	-34.1	0	0	0	110.7	L143 S150	L143-P148 HydrophobicContact CD2-CB 3.73Å; L143-P148 HydrophobicContact CD2-CG 4.44Å; P148-S150 PolarHBondContact O-N 3.29Å
149	G	98	Very high	98.2	Very high	27 Å²	27	39.5 Å²	39.5	28%	0.278	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	35.2	178.6	0	0	0	0	0	114.5	P147 K177 V178 K180	P147-G149 PolarHBondContact O-N 2.87Å; G149-K177 PolarHBondContact N-O 3.18Å; G149-V178 CarbonylContact C-O 3.38Å; G149-V178 VanDerWaalsContact CA-O 3.29Å; G149-V178 WeakPolarHBondContact CA-O 3.44Å; G149-V178 PolarHBondContact N-O 2.92Å; G149-K180 WeakPolarHBondContact O-CG 3.06Å
150	S	97.8	Very high	98.3	Very high	27 Å²	27	32.4 Å²	32.4	19%	0.189	19%	0.186	C	C	.	.			trans	-102.1	-13.5	179.5	69.1	0	0	0	0	114.6	P147 P148 V178 K180	P147-S150 PolarHBondContact O-N 3.47Å; P147-S150 PolarHBondContact O-OG 3.29Å; P148-S150 PolarHBondContact O-N 3.29Å; S150-V178 PolarHBondContact N-O 2.64Å; S150-K180 VanDerWaalsContact O-CE 3.25Å; S150-K180 WeakPolarHBondContact O-CE 3.45Å
151	V	98.3	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	130.8	-175.1	-179.5	0	0	0	0	110.7	L84 V146 V153 V154 V178 K180	L84-V151 HydrophobicContact CB-CG1 3.9Å; L84-V151 HydrophobicContact CB-CG2 4.18Å; V146-V151 HydrophobicContact CG1-CG2 3.61Å; V151-V153 WeakPolarHBondContact CG1-O 3.49Å; V151-V154 HydrophobicContact CG1-CG2 3.77Å; V151-V178 WeakPolarHBondContact CB-O 3.28Å; V151-V178 HydrophobicContact CG2-CB 4.19Å; V151-V178 HydrophobicContact CG2-CG2 4.25Å; V151-V178 PolarHBondContact N-O 2.84Å; V151-K180 WeakPolarHBondContact O-CB 3.46Å; V151-K180 WeakPolarHBondContact O-CG 3.12Å; V151-K180 PolarHBondContact O-N 3.26Å
152	D	97.3	Very high	98.2	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-31.5	177.6	-63.6	-63.3	0	0	0	113.1	L81 T82 K180 K183	L81-D152 HydrophobicContact CD1-CB 3.58Å; T82-D152 PolarHBondContact N-OD2 2.97Å; T82-D152 WeakPolarHBondContact O-CA 3.44Å; T82-D152 WeakPolarHBondContact O-CB 3.44Å; T82-D152 PolarHBondContact O-N 3.27Å; D152-K180 VanDerWaalsContact CG-NZ 3.32Å; D152-K180 VanDerWaalsContact OD1-CD 3.26Å; D152-K180 WeakPolarHBondContact OD1-CD 3.26Å; D152-K180 WeakPolarHBondContact OD1-CE 3.3Å; D152-K180 IonicContact OD1-NZ 2.79Å; D152-K180 PolarHBondContact OD1-NZ 3.2Å; D152-K180 IonicContact OD2-NZ 2.84Å; D152-K180 PolarHBondContact OD2-NZ 3.16Å; D152-K183 WeakPolarHBondContact O-CB 3.3Å; D152-K183 WeakPolarHBondContact O-CD 3.24Å; D152-K183 WeakPolarHBondContact O-CG 3.36Å
153	V	97.6	Very high	98.2	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	135.1	177.8	-177.5	0	0	0	0	109.4	E69 L70 C73 L81 T82 I83 L84 V151 L186	E69-V153 HydrophobicContact CB-CG2 4.28Å; L70-V153 HydrophobicContact CD2-CG1 4.08Å; C73-V153 HydrophobicContact CB-CG2 4.24Å; C73-V153 WeakPolarHBondContact SG-CG2 3.23Å; L81-V153 HydrophobicContact CD1-CG2 4.36Å; T82-V153 PolarHBondContact O-N 3.14Å; I83-V153 CarbonylContact C-O 3.47Å; I83-V153 VanDerWaalsContact CA-O 3.23Å; I83-V153 WeakPolarHBondContact CA-O 3.49Å; I83-V153 HydrophobicContact CG2-CB 4.28Å; L84-V153 PolarHBondContact N-O 2.98Å; V151-V153 WeakPolarHBondContact CG1-O 3.49Å; V153-L186 HydrophobicContact CG1-CD1 3.41Å; V153-L186 VanDerWaalsContact CG1-CD1 3.41Å; V153-L186 HydrophobicContact CG1-CG 3.65Å
154	V	98.7	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	132.3	170.9	177.2	0	0	0	0	108.8	L84 V151 I175 L179 S184 V185 L186	L84-V154 HydrophobicContact CB-CG1 4.44Å; L84-V154 HydrophobicContact CB-CG2 4.11Å; L84-V154 HydrophobicContact CD2-CG1 4.39Å; L84-V154 HydrophobicContact CD2-CG2 4.39Å; L84-V154 HydrophobicContact CG-CG1 4.43Å; L84-V154 CarbonylContact O-C 3.49Å; L84-V154 WeakPolarHBondContact O-CA 3.38Å; V151-V154 HydrophobicContact CG1-CG2 3.77Å; V154-I175 HydrophobicContact CB-CG2 4Å; V154-I175 HydrophobicContact CG1-CD1 4.1Å; V154-I175 HydrophobicContact CG1-CG1 4.34Å; V154-I175 HydrophobicContact CG1-CG2 3.76Å; V154-I175 HydrophobicContact CG2-CG2 3.64Å; V154-L179 HydrophobicContact CG2-CB 4.41Å; V154-L179 HydrophobicContact CG2-CD1 3.9Å; V154-S184 PolarHBondContact N-O 2.99Å; V154-S184 VanDerWaalsContact N-O 3.13Å; V154-V185 HydrophobicContact CB-CG1 4.37Å; V154-V185 HydrophobicContact CB-CG2 4.22Å; V154-V185 HydrophobicContact CG1-CG1 4.31Å; V154-V185 CarbonylContact O-C 3.57Å; V154-V185 WeakPolarHBondContact O-CA 3.24Å; V154-L186 PolarHBondContact O-N 3.25Å
155	M	98.5	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	127.4	171.1	-57.1	-164.5	-36.1	0	0	109.8	L70 L84 E85 A86 C93 L97 I157 L186	L70-M155 HydrophobicContact CD1-SD 4.1Å; L70-M155 HydrophobicContact CD2-CG 4.46Å; L70-M155 HydrophobicContact CD2-SD 4.09Å; L84-M155 PolarHBondContact O-N 2.94Å; E85-M155 HydrophobicContact CB-CE 4.17Å; E85-M155 HydrophobicContact CG-CE 3.88Å; A86-M155 PolarHBondContact N-O 3.25Å; A86-M155 VanDerWaalsContact N-O 3.09Å; C93-M155 HydrophobicContact CB-CE 4.12Å; C93-M155 WeakPolarHBondContact SG-CE 3.27Å; L97-M155 HydrophobicContact CD2-CE 4.35Å; L97-M155 HydrophobicContact CD2-SD 4.08Å; M155-I157 HydrophobicContact CB-CG1 4.11Å; M155-L186 HydrophobicContact CG-CD1 4.47Å
156	L	98.3	Very high	98.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	77	179.1	-163.6	64.4	0	0	0	108.7	A86 V159 L160 V171 L172 I175 V185 L186 F187 R188 F231	A86-L156 HydrophobicContact CB-CD1 3.79Å; L156-V159 HydrophobicContact CD1-CB 3.72Å; L156-V159 HydrophobicContact CD1-CG1 3.76Å; L156-V159 HydrophobicContact CD1-CG2 4.12Å; L156-V159 HydrophobicContact CG-CB 4.24Å; L156-L160 HydrophobicContact CD2-CD1 3.69Å; L156-L160 HydrophobicContact CD2-CD2 4.05Å; L156-L160 HydrophobicContact CD2-CG 3.58Å; L156-L160 HydrophobicContact CG-CG 4.12Å; L156-V171 HydrophobicContact CD1-CG1 4.41Å; L156-L172 HydrophobicContact CD2-CD2 4Å; L156-I175 HydrophobicContact CD1-CD1 4.09Å; L156-I175 HydrophobicContact CD2-CD1 4.23Å; L156-V185 HydrophobicContact CB-CG1 4.13Å; L156-V185 HydrophobicContact CD2-CG1 4.47Å; L156-L186 PolarHBondContact N-O 3.39Å; L156-F187 HydrophobicContact CB-CD2 4.44Å; L156-F187 HydrophobicContact CD2-CD2 4.22Å; L156-F187 HydrophobicContact CG-CD2 4.38Å; L156-R188 PolarHBondContact O-N 2.95Å; L156-F231 HydrophobicContact CD2-CZ 4.41Å
157	I	97.9	Very high	98.2	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.062	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	105.4	-166.3	-53	-63	0	0	0	110.6	W62 F67 M155 R188	W62-I157 HydrophobicContact CH2-CG2 4.31Å; W62-I157 HydrophobicContact CZ2-CG2 4.44Å; F67-I157 HydrophobicContact CE2-CD1 3.83Å; F67-I157 HydrophobicContact CZ-CD1 4.11Å; M155-I157 HydrophobicContact CB-CG1 4.11Å; I157-R188 CarbonylContact C-O 3.55Å; I157-R188 WeakPolarHBondContact CA-O 3.36Å; I157-R188 HydrophobicContact CD1-CB 3.67Å; I157-R188 HydrophobicContact CG2-CB 4.4Å
158	F	97.6	Very high	98.2	Very high	50 Å²	50	26.4 Å²	26.4	22%	0.219	15%	0.149	C	C	.	.	S	Bend	trans	60.7	48.2	-174.7	-59.4	-72.9	0	0	0	114.3	R188 D189 Y190 F261	F158-R188 PolarHBondContact N-O 3.13Å; F158-D189 WeakPolarHBondContact CA-OD2 3.36Å; F158-Y190 HydrophobicContact CD1-CD2 4.43Å; F158-Y190 HydrophobicContact CD1-CE1 4.29Å; F158-Y190 HydrophobicContact CD1-CE2 4.19Å; F158-Y190 HydrophobicContact CE1-CD1 4.23Å; F158-Y190 HydrophobicContact CE1-CE1 4.14Å; F158-F261 AromaticContact CE1-CD1 3.62Å; F158-F261 HydrophobicContact CE1-CD1 3.62Å; F158-F261 AromaticContact CE1-CE1 3.56Å; F158-F261 HydrophobicContact CE1-CE1 3.56Å; F158-F261 AromaticContact CZ-CD1 3.61Å; F158-F261 HydrophobicContact CZ-CD1 3.61Å; F158-F261 AromaticContact CZ-CE1 3.44Å; F158-F261 HydrophobicContact CZ-CE1 3.44Å; F158-F261 VanDerWaalsContact CZ-CE1 3.44Å; F158-F261 HydrophobicContact CZ-CZ 4.27Å
159	V	98.2	Very high	98.2	Very high	15 Å²	15	25 Å²	25	9%	0.091	13%	0.134	C	C	.	.			trans	-122.1	-55.9	-170.8	-176.5	0	0	0	0	110.9	A86 L137 L156 S161 A162 D189	A86-V159 WeakPolarHBondContact O-CG2 3.2Å; L137-V159 HydrophobicContact CD1-CG1 4.31Å; L156-V159 HydrophobicContact CD1-CB 3.72Å; L156-V159 HydrophobicContact CD1-CG1 3.76Å; L156-V159 HydrophobicContact CD1-CG2 4.12Å; L156-V159 HydrophobicContact CG-CB 4.24Å; V159-S161 PolarHBondContact O-N 3.01Å; V159-A162 WeakPolarHBondContact O-CB 3.13Å; V159-A162 PolarHBondContact O-N 3.19Å; V159-D189 PolarHBondContact N-OD2 2.96Å
160	L	98.5	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-62.2	-30.4	-178.1	-70.1	-174.2	0	0	0	111.5	L156 A162 V163 M168 V171 L172 F187 D189 F222 L230 F231	L156-L160 HydrophobicContact CD2-CD1 3.69Å; L156-L160 HydrophobicContact CD2-CD2 4.05Å; L156-L160 HydrophobicContact CD2-CG 3.58Å; L156-L160 HydrophobicContact CG-CG 4.12Å; L160-A162 PolarHBondContact O-N 2.98Å; L160-A162 VanDerWaalsContact O-N 3.11Å; L160-V163 WeakPolarHBondContact O-CB 3.18Å; L160-V163 PolarHBondContact O-N 2.8Å; L160-M168 HydrophobicContact CB-CG 4.48Å; L160-M168 HydrophobicContact CB-SD 4.35Å; L160-M168 HydrophobicContact CD2-CB 4.21Å; L160-M168 HydrophobicContact CD2-CG 4.31Å; L160-M168 WeakPolarHBondContact O-CE 3.42Å; L160-V171 HydrophobicContact CD2-CB 3.89Å; L160-V171 HydrophobicContact CD2-CG1 3.82Å; L160-V171 HydrophobicContact CD2-CG2 4.13Å; L160-L172 HydrophobicContact CD1-CD2 4.25Å; L160-F187 HydrophobicContact CB-CE2 4.16Å; L160-F187 HydrophobicContact CD1-CD2 4.35Å; L160-F187 HydrophobicContact CD1-CE2 3.86Å; L160-F187 HydrophobicContact CG-CE2 4.2Å; L160-D189 PolarHBondContact N-OD2 3.09Å; L160-F222 HydrophobicContact CB-CE1 4.38Å; L160-F222 HydrophobicContact CB-CE2 4.39Å; L160-F222 HydrophobicContact CB-CZ 3.61Å; L160-L230 HydrophobicContact CD1-CD2 4.36Å; L160-F231 HydrophobicContact CD1-CE2 4.41Å
161	S	98.5	Very high	98.3	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.028	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60.4	-22.1	175	60.8	0	0	0	0	114.2	V159 D189 Y190 S219 Y220	V159-S161 PolarHBondContact O-N 3.01Å; S161-D189 VanDerWaalsContact CB-CG 3.46Å; S161-D189 WeakPolarHBondContact CB-OD1 3.49Å; S161-D189 WeakPolarHBondContact CB-OD2 3.46Å; S161-D189 PolarHBondContact N-OD2 3.17Å; S161-D189 PolarHBondContact OG-OD1 3.25Å; S161-D189 PolarHBondContact OG-OD2 3.46Å; S161-D189 VanDerWaalsContact OG-OD2 3.09Å; S161-Y190 WeakPolarHBondContact OG-CD2 3.41Å; S161-S219 CarbonylContact O-C 3.5Å; S161-S219 WeakPolarHBondContact O-CA 3.44Å; S161-Y220 VanDerWaalsContact CB-O 3.24Å; S161-Y220 WeakPolarHBondContact CB-O 3.43Å; S161-Y220 PolarHBondContact O-N 2.93Å
162	A	98.2	Very high	98.3	Very high	13 Å²	13	25.1 Å²	25.1	11%	0.107	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-85.5	-15.8	176.5	0	0	0	0	0	113.6	W45 V159 L160	W45-A162 HydrophobicContact CZ2-CB 3.52Å; V159-A162 WeakPolarHBondContact O-CB 3.13Å; V159-A162 PolarHBondContact O-N 3.19Å; L160-A162 PolarHBondContact O-N 2.98Å; L160-A162 VanDerWaalsContact O-N 3.11Å
163	V	98.6	Very high	98.4	Very high	22 Å²	22	29.3 Å²	29.3	13%	0.133	14%	0.144	C	C	.	.	S	Bend	trans	-88.6	147	-176.9	-177.6	0	0	0	0	109.5	T138 L160 K167 M168 V171	T138-V163 HydrophobicContact CG2-CG1 3.71Å; L160-V163 WeakPolarHBondContact O-CB 3.18Å; L160-V163 PolarHBondContact O-N 2.8Å; V163-K167 HydrophobicContact CG1-CB 3.99Å; V163-M168 HydrophobicContact CB-CG 4.23Å; V163-M168 HydrophobicContact CG1-CG 4.17Å; V163-M168 WeakPolarHBondContact O-CE 3.2Å; V163-V171 HydrophobicContact CG1-CG2 4.28Å; V163-V171 HydrophobicContact CG2-CG2 4.36Å
164	H	98.4	Very high	98.5	Very high	42 Å²	42	29.7 Å²	29.7	19%	0.194	15%	0.147	C	C	.	.			trans	-62.4	133.9	172.8	-166.3	-85.8	0	0	0	109.7	E166 K167 M168 F210	H164-E166 VanDerWaalsContact C-N 3.26Å; H164-E166 IonicContact CE1-OE2 3.32Å; H164-E166 PolarHBondContact ND1-N 3.11Å; H164-E166 IonicContact ND1-OE2 2.99Å; H164-E166 PolarHBondContact O-N 2.96Å; H164-E166 VanDerWaalsContact O-N 3.16Å; H164-K167 HydrophobicContact CB-CB 4.49Å; H164-K167 HydrophobicContact CB-CD 4.47Å; H164-K167 HydrophobicContact CB-CG 4.41Å; H164-K167 WeakPolarHBondContact O-CA 3.42Å; H164-K167 PolarHBondContact O-N 3.35Å; H164-M168 PolarHBondContact O-N 3.48Å; H164-F210 AromaticContact CD2-CE1 3.69Å
165	P	98.3	Very high	98.5	Very high	30 Å²	30	29.7 Å²	29.7	20%	0.195	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-52.5	-41.7	-175.4	-29.9	36.6	0	0	0	114.1	K167 M168 F210 Y220	P165-K167 PolarHBondContact O-N 3.05Å; P165-K167 VanDerWaalsContact O-N 3.1Å; P165-M168 HydrophobicContact CB-CE 4.27Å; P165-M168 HydrophobicContact CG-CE 4.13Å; P165-M168 PolarHBondContact O-N 3.04Å; P165-F210 HydrophobicContact CG-CB 4.49Å; P165-F210 HydrophobicContact CG-CD1 4.28Å; P165-F210 HydrophobicContact CG-CD2 4.5Å; P165-F210 HydrophobicContact CG-CG 4.2Å; P165-Y220 HydrophobicContact CB-CD2 4.46Å; P165-Y220 HydrophobicContact CB-CE2 4.22Å; P165-Y220 HydrophobicContact CG-CD2 3.5Å; P165-Y220 VanDerWaalsContact CG-CD2 3.5Å; P165-Y220 HydrophobicContact CG-CE2 3.61Å; P165-Y220 HydrophobicContact CG-CG 4.4Å
166	E	97.8	Very high	98.5	Very high	149 Å²	149	31.4 Å²	31.4	70%	0.696	15%	0.153	S	C	*	.	G	3₁₀ helix	trans	-63.6	-14.7	176.8	-61.6	179.8	166.1	0	0	114.3	H164 H169	H164-E166 VanDerWaalsContact C-N 3.26Å; H164-E166 IonicContact CE1-OE2 3.32Å; H164-E166 PolarHBondContact ND1-N 3.11Å; H164-E166 IonicContact ND1-OE2 2.99Å; H164-E166 PolarHBondContact O-N 2.96Å; H164-E166 VanDerWaalsContact O-N 3.16Å; E166-H169 PolarHBondContact O-CE1 2.92Å; E166-H169 PolarHBondContact O-ND1 3.21Å
167	K	98.6	Very high	98.5	Very high	59 Å²	59	35.4 Å²	35.4	26%	0.257	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-108.8	-3.2	-179.9	-64.4	-174.2	174.9	-175.6	0	113.5	E38 T138 V163 H164 P165 H169 L170	E38-K167 WeakPolarHBondContact OE1-CE 3.38Å; E38-K167 IonicContact OE1-NZ 3.53Å; E38-K167 PolarHBondContact OE1-NZ 2.99Å; T138-K167 HydrophobicContact CG2-CB 3.97Å; T138-K167 HydrophobicContact CG2-CD 4.49Å; V163-K167 HydrophobicContact CG1-CB 3.99Å; H164-K167 HydrophobicContact CB-CB 4.49Å; H164-K167 HydrophobicContact CB-CD 4.47Å; H164-K167 HydrophobicContact CB-CG 4.41Å; H164-K167 WeakPolarHBondContact O-CA 3.42Å; H164-K167 PolarHBondContact O-N 3.35Å; P165-K167 PolarHBondContact O-N 3.05Å; P165-K167 VanDerWaalsContact O-N 3.1Å; K167-H169 PolarHBondContact O-N 3.37Å; K167-L170 HydrophobicContact CB-CD1 4.24Å; K167-L170 HydrophobicContact CG-CD1 4.29Å; K167-L170 WeakPolarHBondContact O-CB 3.15Å; K167-L170 PolarHBondContact O-N 3.26Å
168	M	98.8	Very high	98.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64	-32.7	-178.2	-64.6	176.9	-177.9	0	0	111.9	L160 V163 H164 P165 L170 V171 L172 Y220 F222 F226 L230	L160-M168 HydrophobicContact CB-CG 4.48Å; L160-M168 HydrophobicContact CB-SD 4.35Å; L160-M168 HydrophobicContact CD2-CB 4.21Å; L160-M168 HydrophobicContact CD2-CG 4.31Å; L160-M168 WeakPolarHBondContact O-CE 3.42Å; V163-M168 HydrophobicContact CB-CG 4.23Å; V163-M168 HydrophobicContact CG1-CG 4.17Å; V163-M168 WeakPolarHBondContact O-CE 3.2Å; H164-M168 PolarHBondContact O-N 3.48Å; P165-M168 HydrophobicContact CB-CE 4.27Å; P165-M168 HydrophobicContact CG-CE 4.13Å; P165-M168 PolarHBondContact O-N 3.04Å; M168-L170 VanDerWaalsContact C-N 3.3Å; M168-L170 PolarHBondContact O-N 2.83Å; M168-V171 WeakPolarHBondContact O-CB 3.34Å; M168-V171 PolarHBondContact O-N 2.86Å; M168-L172 PolarHBondContact O-N 3.14Å; M168-Y220 HydrophobicContact CE-CD1 4.01Å; M168-Y220 HydrophobicContact CE-CD2 4.3Å; M168-Y220 HydrophobicContact CE-CG 3.78Å; M168-F222 HydrophobicContact CE-CE1 4.07Å; M168-F222 HydrophobicContact CE-CZ 3.77Å; M168-F222 HydrophobicContact SD-CE1 3.73Å; M168-F222 HydrophobicContact SD-CZ 3.91Å; M168-F226 HydrophobicContact SD-CE1 4.07Å; M168-F226 HydrophobicContact SD-CZ 4.42Å; M168-L230 HydrophobicContact CB-CD1 4.19Å; M168-L230 HydrophobicContact CB-CD2 3.65Å; M168-L230 HydrophobicContact CG-CD2 4.5Å; M168-L230 HydrophobicContact SD-CD2 4.07Å
169	H	98.8	Very high	98.6	Very high	71 Å²	71	32.5 Å²	32.5	33%	0.329	16%	0.157	S	C	.	.	H	α-helix	trans	-61.2	-38.5	177	69.2	-84.1	0	0	0	112	E166 K167 V171 L172 E173 L230 T234	E166-H169 PolarHBondContact O-CE1 2.92Å; E166-H169 PolarHBondContact O-ND1 3.21Å; K167-H169 PolarHBondContact O-N 3.37Å; H169-V171 VanDerWaalsContact C-N 3.27Å; H169-V171 PolarHBondContact O-N 2.83Å; H169-L172 PolarHBondContact O-N 3.37Å; H169-L172 VanDerWaalsContact O-N 3.09Å; H169-E173 IonicContact CD2-OE1 3.63Å; H169-E173 WeakPolarHBondContact O-CG 3.44Å; H169-E173 PolarHBondContact O-N 3.18Å; H169-L230 HydrophobicContact CB-CD1 4Å; H169-T234 HydrophobicContact CB-CG2 3.9Å
170	L	98.8	Very high	98.6	Very high	56 Å²	56	34.8 Å²	34.8	29%	0.293	17%	0.166	S	C	.	.	H	α-helix	trans	-60	-38	177.1	-58.1	173.4	0	0	0	111.9	K167 M168 N174	K167-L170 HydrophobicContact CB-CD1 4.24Å; K167-L170 HydrophobicContact CG-CD1 4.29Å; K167-L170 WeakPolarHBondContact O-CB 3.15Å; K167-L170 PolarHBondContact O-N 3.26Å; M168-L170 VanDerWaalsContact C-N 3.3Å; M168-L170 PolarHBondContact O-N 2.83Å; L170-N174 VanDerWaalsContact O-CB 3.29Å; L170-N174 WeakPolarHBondContact O-CB 3.35Å; L170-N174 PolarHBondContact O-N 2.78Å
171	V	98.9	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-45.4	176	178.5	0	0	0	0	110.5	L137 T138 L156 L160 V163 M168 H169 N174 I175	L137-V171 HydrophobicContact CB-CB 4.37Å; L137-V171 HydrophobicContact CB-CG1 4Å; L137-V171 HydrophobicContact CB-CG2 3.91Å; L137-V171 HydrophobicContact CD1-CG1 4.06Å; T138-V171 HydrophobicContact CG2-CG2 3.8Å; L156-V171 HydrophobicContact CD1-CG1 4.41Å; L160-V171 HydrophobicContact CD2-CB 3.89Å; L160-V171 HydrophobicContact CD2-CG1 3.82Å; L160-V171 HydrophobicContact CD2-CG2 4.13Å; V163-V171 HydrophobicContact CG1-CG2 4.28Å; V163-V171 HydrophobicContact CG2-CG2 4.36Å; M168-V171 WeakPolarHBondContact O-CB 3.34Å; M168-V171 PolarHBondContact O-N 2.86Å; H169-V171 VanDerWaalsContact C-N 3.27Å; H169-V171 PolarHBondContact O-N 2.83Å; V171-N174 PolarHBondContact O-N 3.45Å; V171-I175 HydrophobicContact CG1-CD1 3.83Å; V171-I175 VanDerWaalsContact O-CG1 3.29Å; V171-I175 WeakPolarHBondContact O-CG1 3.23Å; V171-I175 PolarHBondContact O-N 2.92Å
172	L	98.9	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-43.5	-179.2	-60.3	-173.4	0	0	0	111.8	L156 L160 M168 H169 N174 I175 Y176 L230 F231 T234 Y236	L156-L172 HydrophobicContact CD2-CD2 4Å; L160-L172 HydrophobicContact CD1-CD2 4.25Å; M168-L172 PolarHBondContact O-N 3.14Å; H169-L172 PolarHBondContact O-N 3.37Å; H169-L172 VanDerWaalsContact O-N 3.09Å; L172-N174 VanDerWaalsContact C-N 3.28Å; L172-N174 PolarHBondContact O-N 3.07Å; L172-I175 PolarHBondContact O-N 3.48Å; L172-Y176 WeakPolarHBondContact O-CB 3.44Å; L172-Y176 PolarHBondContact O-N 3.15Å; L172-L230 HydrophobicContact CD1-CD2 4.19Å; L172-L230 HydrophobicContact CD1-CG 3.77Å; L172-F231 HydrophobicContact CD1-CB 4.44Å; L172-F231 HydrophobicContact CD1-CD1 3.97Å; L172-F231 HydrophobicContact CD1-CD2 3.73Å; L172-F231 HydrophobicContact CD1-CE1 4.15Å; L172-F231 HydrophobicContact CD1-CE2 3.9Å; L172-F231 HydrophobicContact CD1-CG 3.78Å; L172-F231 HydrophobicContact CD1-CZ 4.13Å; L172-F231 HydrophobicContact CD2-CD1 4.25Å; L172-F231 HydrophobicContact CD2-CE1 3.61Å; L172-F231 HydrophobicContact CD2-CE2 3.9Å; L172-F231 HydrophobicContact CD2-CZ 3.42Å; L172-F231 VanDerWaalsContact CD2-CZ 3.42Å; L172-F231 HydrophobicContact CG-CE1 4.49Å; L172-F231 HydrophobicContact CG-CZ 4.44Å; L172-T234 HydrophobicContact CB-CG2 4.06Å; L172-T234 HydrophobicContact CD1-CG2 4.46Å; L172-T234 WeakPolarHBondContact CD1-OG1 3.11Å; L172-Y236 HydrophobicContact CB-CE2 4.06Å; L172-Y236 PolarHBondContact O-OH 2.9Å; L172-Y236 VanDerWaalsContact O-OH 3.08Å
173	E	98.8	Very high	98.3	Very high	92 Å²	92	40.5 Å²	40.5	43%	0.43	20%	0.203	S	C	.	.	H	α-helix	trans	-58.6	-40.5	174.4	-72.2	172.5	-175.9	0	0	112	H169 Y176 K177 T234	H169-E173 IonicContact CD2-OE1 3.63Å; H169-E173 WeakPolarHBondContact O-CG 3.44Å; H169-E173 PolarHBondContact O-N 3.18Å; E173-Y176 WeakPolarHBondContact O-CB 3.12Å; E173-Y176 PolarHBondContact O-N 3.27Å; E173-K177 PolarHBondContact O-N 3.03Å; E173-T234 HydrophobicContact CG-CG2 4.05Å
174	N	98.8	Very high	98.2	Very high	8 Å²	8	39.8 Å²	39.8	4%	0.043	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-47.3	177.2	-160	4.1	0	0	0	111.6	L137 D140 L142 L170 V171 L172 Y176 K177	L137-N174 PolarHBondContact O-ND2 3.41Å; D140-N174 PolarHBondContact O-ND2 3.37Å; L142-N174 WeakPolarHBondContact CB-OD1 3.47Å; L142-N174 HydrophobicContact CD1-CB 4.32Å; L142-N174 PolarHBondContact N-OD1 3.48Å; L170-N174 VanDerWaalsContact O-CB 3.29Å; L170-N174 WeakPolarHBondContact O-CB 3.35Å; L170-N174 PolarHBondContact O-N 2.78Å; V171-N174 PolarHBondContact O-N 3.45Å; L172-N174 VanDerWaalsContact C-N 3.28Å; L172-N174 PolarHBondContact O-N 3.07Å; N174-Y176 PolarHBondContact O-N 3.48Å; N174-K177 WeakPolarHBondContact O-CB 3.49Å; N174-K177 PolarHBondContact O-N 2.98Å
175	I	98.9	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-59.4	-37.9	175	-71.1	167.7	0	0	0	111	A86 L142 V154 L156 V171 L172 K177 V178 L179 V185	A86-I175 HydrophobicContact CB-CD1 4.41Å; L142-I175 HydrophobicContact CD1-CG1 4.1Å; V154-I175 HydrophobicContact CB-CG2 4Å; V154-I175 HydrophobicContact CG1-CD1 4.1Å; V154-I175 HydrophobicContact CG1-CG1 4.34Å; V154-I175 HydrophobicContact CG1-CG2 3.76Å; V154-I175 HydrophobicContact CG2-CG2 3.64Å; L156-I175 HydrophobicContact CD1-CD1 4.09Å; L156-I175 HydrophobicContact CD2-CD1 4.23Å; V171-I175 HydrophobicContact CG1-CD1 3.83Å; V171-I175 VanDerWaalsContact O-CG1 3.29Å; V171-I175 WeakPolarHBondContact O-CG1 3.23Å; V171-I175 PolarHBondContact O-N 2.92Å; L172-I175 PolarHBondContact O-N 3.48Å; I175-K177 PolarHBondContact O-N 3.1Å; I175-V178 VanDerWaalsContact O-CG2 3.3Å; I175-V178 WeakPolarHBondContact O-CG2 3.12Å; I175-V178 PolarHBondContact O-N 2.94Å; I175-L179 WeakPolarHBondContact O-CB 3.46Å; I175-L179 PolarHBondContact O-N 3.34Å; I175-L179 VanDerWaalsContact O-N 3.09Å; I175-V185 HydrophobicContact CG2-CG2 3.92Å
176	Y	98.8	Very high	98.3	Very high	36 Å²	36	36.4 Å²	36.4	14%	0.141	18%	0.181	C	C	.	.	H	α-helix	trans	-57	-35.7	179.8	-164.6	-83.2	0	0	0	111.9	L172 E173 N174 V178 Y236 K268	L172-Y176 WeakPolarHBondContact O-CB 3.44Å; L172-Y176 PolarHBondContact O-N 3.15Å; E173-Y176 WeakPolarHBondContact O-CB 3.12Å; E173-Y176 PolarHBondContact O-N 3.27Å; N174-Y176 PolarHBondContact O-N 3.48Å; Y176-V178 VanDerWaalsContact C-N 3.33Å; Y176-V178 PolarHBondContact O-N 2.79Å; Y176-Y236 VanDerWaalsContact CA-OH 3.3Å; Y176-Y236 WeakPolarHBondContact CA-OH 3.37Å; Y176-Y236 HydrophobicContact CD2-CD2 4.2Å; Y176-Y236 HydrophobicContact CD2-CE1 4.08Å; Y176-Y236 AromaticContact CD2-CE2 3.71Å; Y176-Y236 HydrophobicContact CD2-CE2 3.71Å; Y176-Y236 AromaticContact CD2-CZ 3.65Å; Y176-Y236 PolarHBondContact N-OH 3.37Å; Y176-Y236 VanDerWaalsContact N-OH 3.13Å; Y176-K268 HydrophobicContact CD1-CD 4.24Å; Y176-K268 HydrophobicContact CD2-CD 4.2Å; Y176-K268 HydrophobicContact CD2-CG 4.29Å; Y176-K268 HydrophobicContact CE1-CD 4.04Å; Y176-K268 HydrophobicContact CE1-CG 4.39Å; Y176-K268 HydrophobicContact CE2-CB 4.43Å; Y176-K268 HydrophobicContact CE2-CD 4.01Å; Y176-K268 HydrophobicContact CE2-CG 3.72Å; Y176-K268 HydrophobicContact CG-CD 4.31Å; Y176-K268 PolarHBondContact O-NZ 2.88Å
177	K	98.6	Very high	98.3	Very high	85 Å²	85	29.3 Å²	29.3	37%	0.37	15%	0.147	S	C	.	.	H	α-helix	trans	-62.1	-38.2	-179.8	-60.8	171.4	-175.6	175.4	0	112.9	D141 L143 G149 E173 N174 I175	D141-K177 IonicContact OD1-NZ 2.64Å; D141-K177 PolarHBondContact OD1-NZ 2.84Å; D141-K177 VanDerWaalsContact OD1-NZ 3.1Å; D141-K177 IonicContact OD2-NZ 2.93Å; D141-K177 PolarHBondContact OD2-NZ 3.34Å; L143-K177 HydrophobicContact CD1-CB 4.32Å; L143-K177 HydrophobicContact CD1-CD 3.95Å; L143-K177 HydrophobicContact CD2-CB 4.14Å; L143-K177 HydrophobicContact CG-CB 4.19Å; L143-K177 HydrophobicContact CG-CD 4.15Å; G149-K177 PolarHBondContact N-O 3.18Å; E173-K177 PolarHBondContact O-N 3.03Å; N174-K177 WeakPolarHBondContact O-CB 3.49Å; N174-K177 PolarHBondContact O-N 2.98Å; I175-K177 PolarHBondContact O-N 3.1Å
178	V	98.8	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-97.1	-21	-172.1	-62.1	0	0	0	0	113.4	L84 L142 L143 V146 G149 S150 V151 I175 Y176	L84-V178 HydrophobicContact CD2-CG2 4Å; L142-V178 HydrophobicContact CB-CG1 3.84Å; L142-V178 HydrophobicContact CD1-CG2 4.05Å; L143-V178 HydrophobicContact CD2-CG1 3.88Å; V146-V178 HydrophobicContact CB-CB 4.3Å; V146-V178 HydrophobicContact CB-CG1 3.83Å; V146-V178 HydrophobicContact CG1-CB 3.83Å; V146-V178 HydrophobicContact CG1-CG1 3.9Å; V146-V178 HydrophobicContact CG1-CG2 4.48Å; G149-V178 CarbonylContact C-O 3.38Å; G149-V178 VanDerWaalsContact CA-O 3.29Å; G149-V178 WeakPolarHBondContact CA-O 3.44Å; G149-V178 PolarHBondContact N-O 2.92Å; S150-V178 PolarHBondContact N-O 2.64Å; V151-V178 WeakPolarHBondContact CB-O 3.28Å; V151-V178 HydrophobicContact CG2-CB 4.19Å; V151-V178 HydrophobicContact CG2-CG2 4.25Å; V151-V178 PolarHBondContact N-O 2.84Å; I175-V178 VanDerWaalsContact O-CG2 3.3Å; I175-V178 WeakPolarHBondContact O-CG2 3.12Å; I175-V178 PolarHBondContact O-N 2.94Å; Y176-V178 VanDerWaalsContact C-N 3.33Å; Y176-V178 PolarHBondContact O-N 2.79Å
179	L	98.7	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.1	176.6	-174	63.3	0	0	0	111.3	V154 I175 K183 V185 Y236 K268	V154-L179 HydrophobicContact CG2-CB 4.41Å; V154-L179 HydrophobicContact CG2-CD1 3.9Å; I175-L179 WeakPolarHBondContact O-CB 3.46Å; I175-L179 PolarHBondContact O-N 3.34Å; I175-L179 VanDerWaalsContact O-N 3.09Å; L179-K183 HydrophobicContact CD1-CB 3.69Å; L179-K183 HydrophobicContact CG-CB 4.2Å; L179-V185 HydrophobicContact CD2-CG2 3.76Å; L179-Y236 HydrophobicContact CD2-CE1 3.92Å; L179-K268 HydrophobicContact CB-CD 4.25Å; L179-K268 HydrophobicContact CD2-CB 3.83Å; L179-K268 HydrophobicContact CG-CB 4.29Å; L179-K268 HydrophobicContact CG-CD 4.37Å; L179-K268 WeakPolarHBondContact O-CD 3.31Å; L179-K268 PolarHBondContact O-NZ 3.01Å
180	K	97.4	Very high	98.2	Very high	64 Å²	64	25.3 Å²	25.3	28%	0.278	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	144.6	172.5	-77	170.8	-173.1	171.5	0	111.2	G149 S150 V151 D152 K183	G149-K180 WeakPolarHBondContact O-CG 3.06Å; S150-K180 VanDerWaalsContact O-CE 3.25Å; S150-K180 WeakPolarHBondContact O-CE 3.45Å; V151-K180 WeakPolarHBondContact O-CB 3.46Å; V151-K180 WeakPolarHBondContact O-CG 3.12Å; V151-K180 PolarHBondContact O-N 3.26Å; D152-K180 VanDerWaalsContact CG-NZ 3.32Å; D152-K180 VanDerWaalsContact OD1-CD 3.26Å; D152-K180 WeakPolarHBondContact OD1-CD 3.26Å; D152-K180 WeakPolarHBondContact OD1-CE 3.3Å; D152-K180 IonicContact OD1-NZ 2.79Å; D152-K180 PolarHBondContact OD1-NZ 3.2Å; D152-K180 IonicContact OD2-NZ 2.84Å; D152-K180 PolarHBondContact OD2-NZ 3.16Å; K180-K183 HydrophobicContact CB-CB 4.13Å; K180-K183 HydrophobicContact CB-CG 3.59Å; K180-K183 WeakPolarHBondContact O-CB 3.32Å; K180-K183 PolarHBondContact O-N 2.86Å
181	P	97.4	Very high	98.1	Very high	62 Å²	62	22.7 Å²	22.7	40%	0.403	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	141.9	165.2	-22.9	34	0	0	0	111.4	K183	P181-K183 VanDerWaalsContact C-N 3.25Å; P181-K183 PolarHBondContact O-N 3.05Å
182	G	96.1	Very high	98	Very high	30 Å²	30	23.4 Å²	23.4	31%	0.309	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.1	6.9	-176.6	0	0	0	0	0	114.8	L267 K268	G182-L267 VanDerWaalsContact C-CD1 3.44Å; G182-L267 WeakPolarHBondContact O-CD1 3.28Å; G182-K268 WeakPolarHBondContact CA-O 3.39Å; G182-K268 PolarHBondContact N-O 2.76Å
183	K	96.4	Very high	97.9	Very high	45 Å²	45	26.7 Å²	26.7	20%	0.196	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	163.7	179.6	-65.2	-55.8	-171.4	178.3	0	111.9	C73 D152 L179 K180 P181 K268	C73-K183 PolarHBondContact O-NZ 3.39Å; D152-K183 WeakPolarHBondContact O-CB 3.3Å; D152-K183 WeakPolarHBondContact O-CD 3.24Å; D152-K183 WeakPolarHBondContact O-CG 3.36Å; L179-K183 HydrophobicContact CD1-CB 3.69Å; L179-K183 HydrophobicContact CG-CB 4.2Å; K180-K183 HydrophobicContact CB-CB 4.13Å; K180-K183 HydrophobicContact CB-CG 3.59Å; K180-K183 WeakPolarHBondContact O-CB 3.32Å; K180-K183 PolarHBondContact O-N 2.86Å; P181-K183 VanDerWaalsContact C-N 3.25Å; P181-K183 PolarHBondContact O-N 3.05Å; K183-K268 PolarHBondContact O-N 3.45Å
184	S	97.2	Very high	97.8	Very high	7 Å²	7	22.3 Å²	22.3	5%	0.049	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.3	-164.8	-58.9	0	0	0	0	114.1	V154 K265 F266	V154-S184 PolarHBondContact N-O 2.99Å; V154-S184 VanDerWaalsContact N-O 3.13Å; S184-K265 WeakPolarHBondContact OG-CE 3.47Å; S184-F266 CarbonylContact C-O 3.54Å; S184-F266 VanDerWaalsContact CA-O 3.22Å; S184-F266 WeakPolarHBondContact CA-O 3.37Å
185	V	98.6	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	125.7	160.3	-174.9	0	0	0	0	108	V154 L156 I175 L179 F231 Y236 K265 F266	V154-V185 HydrophobicContact CB-CG1 4.37Å; V154-V185 HydrophobicContact CB-CG2 4.22Å; V154-V185 HydrophobicContact CG1-CG1 4.31Å; V154-V185 CarbonylContact O-C 3.57Å; V154-V185 WeakPolarHBondContact O-CA 3.24Å; L156-V185 HydrophobicContact CB-CG1 4.13Å; L156-V185 HydrophobicContact CD2-CG1 4.47Å; I175-V185 HydrophobicContact CG2-CG2 3.92Å; L179-V185 HydrophobicContact CD2-CG2 3.76Å; V185-F231 HydrophobicContact CB-CE1 4.01Å; V185-F231 HydrophobicContact CG1-CE1 4.03Å; V185-F231 HydrophobicContact CG1-CZ 4.14Å; V185-F231 HydrophobicContact CG2-CE1 4.32Å; V185-Y236 HydrophobicContact CG2-CD1 4.34Å; V185-Y236 HydrophobicContact CG2-CE1 3.57Å; V185-K265 WeakPolarHBondContact O-CA 3.11Å; V185-F266 PolarHBondContact N-O 3.04Å; V185-F266 PolarHBondContact O-N 2.79Å
186	L	98.5	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.7	173.4	-53.6	177.9	0	0	0	108.4	F67 E69 L70 V153 V154 M155 L156 K265	F67-L186 HydrophobicContact CB-CD1 3.6Å; F67-L186 HydrophobicContact CB-CD2 4.34Å; F67-L186 HydrophobicContact CB-CG 4.48Å; F67-L186 HydrophobicContact CD1-CB 4.03Å; F67-L186 HydrophobicContact CD1-CD1 4.16Å; F67-L186 HydrophobicContact CD1-CD2 3.82Å; F67-L186 HydrophobicContact CD1-CG 4.21Å; F67-L186 HydrophobicContact CD2-CB 4.48Å; F67-L186 HydrophobicContact CD2-CD1 4.24Å; F67-L186 HydrophobicContact CE1-CB 4.04Å; F67-L186 HydrophobicContact CE1-CD2 4.42Å; F67-L186 HydrophobicContact CE2-CB 4.49Å; F67-L186 HydrophobicContact CG-CB 4.25Å; F67-L186 HydrophobicContact CG-CD1 3.76Å; F67-L186 HydrophobicContact CG-CD2 4.27Å; F67-L186 HydrophobicContact CG-CG 4.31Å; F67-L186 HydrophobicContact CZ-CB 4.26Å; E69-L186 HydrophobicContact CB-CD1 4.4Å; E69-L186 HydrophobicContact CB-CD2 4.14Å; E69-L186 HydrophobicContact CG-CD2 3.99Å; E69-L186 WeakPolarHBondContact OE2-CD2 3.49Å; L70-L186 HydrophobicContact CD1-CD1 4.38Å; L70-L186 HydrophobicContact CD2-CD1 4.01Å; L70-L186 HydrophobicContact CG-CD1 3.9Å; V153-L186 HydrophobicContact CG1-CD1 3.41Å; V153-L186 VanDerWaalsContact CG1-CD1 3.41Å; V153-L186 HydrophobicContact CG1-CG 3.65Å; V154-L186 PolarHBondContact O-N 3.25Å; M155-L186 HydrophobicContact CG-CD1 4.47Å; L156-L186 PolarHBondContact N-O 3.39Å; L186-K265 HydrophobicContact CD2-CG 4.46Å
187	F	98.5	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.2	-175.8	176.6	-90.3	0	0	0	110.5	L156 L160 D189 F222 L227 F231 L262 Q263 S264	L156-F187 HydrophobicContact CB-CD2 4.44Å; L156-F187 HydrophobicContact CD2-CD2 4.22Å; L156-F187 HydrophobicContact CG-CD2 4.38Å; L160-F187 HydrophobicContact CB-CE2 4.16Å; L160-F187 HydrophobicContact CD1-CD2 4.35Å; L160-F187 HydrophobicContact CD1-CE2 3.86Å; L160-F187 HydrophobicContact CG-CE2 4.2Å; F187-D189 HydrophobicContact CE1-CB 3.72Å; F187-D189 HydrophobicContact CE2-CB 3.88Å; F187-D189 HydrophobicContact CZ-CB 3.25Å; F187-F222 HydrophobicContact CZ-CD1 4.45Å; F187-F222 HydrophobicContact CZ-CD2 4.02Å; F187-F222 HydrophobicContact CZ-CE1 4.43Å; F187-F222 AromaticContact CZ-CE2 3.98Å; F187-F222 HydrophobicContact CZ-CE2 3.98Å; F187-F222 HydrophobicContact CZ-CG 4.27Å; F187-F222 HydrophobicContact CZ-CZ 4.22Å; F187-L227 HydrophobicContact CD1-CD1 4.4Å; F187-L227 HydrophobicContact CD1-CD2 3.39Å; F187-L227 HydrophobicContact CD2-CD1 4.33Å; F187-L227 HydrophobicContact CE1-CD1 3.98Å; F187-L227 HydrophobicContact CE1-CD2 3.36Å; F187-L227 HydrophobicContact CE1-CG 4.33Å; F187-L227 HydrophobicContact CE2-CD1 3.9Å; F187-L227 HydrophobicContact CG-CD2 4.04Å; F187-L227 HydrophobicContact CZ-CD1 3.67Å; F187-L227 HydrophobicContact CZ-CD2 3.96Å; F187-L227 HydrophobicContact CZ-CG 4.5Å; F187-F231 HydrophobicContact CD2-CE2 4.49Å; F187-L262 HydrophobicContact CE1-CB 4.23Å; F187-L262 HydrophobicContact CE1-CD2 4.46Å; F187-L262 HydrophobicContact CE1-CG 4.47Å; F187-Q263 WeakPolarHBondContact O-CA 3.27Å; F187-S264 PolarHBondContact N-O 2.63Å; F187-S264 PolarHBondContact O-N 2.78Å
188	R	97.9	Very high	96.9	Very high	11 Å²	11	19.6 Å²	19.6	4%	0.042	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	122.4	162.5	-168.8	177.8	-170	146.3	13.8	110.7	W62 E66 F67 L156 I157 F158 F261 L262	W62-R188 HydrophobicContact CH2-CB 4.5Å; W62-R188 HydrophobicContact CH2-CG 4.49Å; E66-R188 IonicContact OE2-NH1 3.75Å; F67-R188 HydrophobicContact CZ-CB 4.33Å; L156-R188 PolarHBondContact O-N 2.95Å; I157-R188 CarbonylContact C-O 3.55Å; I157-R188 WeakPolarHBondContact CA-O 3.36Å; I157-R188 HydrophobicContact CD1-CB 3.67Å; I157-R188 HydrophobicContact CG2-CB 4.4Å; F158-R188 PolarHBondContact N-O 3.13Å; R188-F261 HydrophobicContact CG-CB 4.25Å; R188-L262 VanDerWaalsContact CA-O 3.27Å; R188-L262 WeakPolarHBondContact CA-O 3.42Å
189	D	98.3	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	-175.8	176.7	-142.9	-38.6	0	0	0	111.2	F158 V159 L160 S161 F187 G191 F222 F261 L262	F158-D189 WeakPolarHBondContact CA-OD2 3.36Å; V159-D189 PolarHBondContact N-OD2 2.96Å; L160-D189 PolarHBondContact N-OD2 3.09Å; S161-D189 VanDerWaalsContact CB-CG 3.46Å; S161-D189 WeakPolarHBondContact CB-OD1 3.49Å; S161-D189 WeakPolarHBondContact CB-OD2 3.46Å; S161-D189 PolarHBondContact N-OD2 3.17Å; S161-D189 PolarHBondContact OG-OD1 3.25Å; S161-D189 PolarHBondContact OG-OD2 3.46Å; S161-D189 VanDerWaalsContact OG-OD2 3.09Å; F187-D189 HydrophobicContact CE1-CB 3.72Å; F187-D189 HydrophobicContact CE2-CB 3.88Å; F187-D189 HydrophobicContact CZ-CB 3.25Å; D189-G191 PolarHBondContact O-N 3.41Å; D189-F222 HydrophobicContact CB-CD2 4Å; D189-F222 HydrophobicContact CB-CE2 3.88Å; D189-F261 CarbonylContact O-C 3.57Å; D189-F261 VanDerWaalsContact O-CA 3.23Å; D189-F261 WeakPolarHBondContact O-CA 3.18Å; D189-L262 PolarHBondContact N-O 3.47Å; D189-L262 VanDerWaalsContact N-O 3.13Å; D189-L262 PolarHBondContact O-N 3.1Å
190	Y	97.9	Very high	96.5	Very high	36 Å²	36	28.7 Å²	28.7	14%	0.141	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	124	179.8	-56.6	-72.3	0	0	0	111.7	F158 S161 F221 F222 F261	F158-Y190 HydrophobicContact CD1-CD2 4.43Å; F158-Y190 HydrophobicContact CD1-CE1 4.29Å; F158-Y190 HydrophobicContact CD1-CE2 4.19Å; F158-Y190 HydrophobicContact CE1-CD1 4.23Å; F158-Y190 HydrophobicContact CE1-CE1 4.14Å; S161-Y190 WeakPolarHBondContact OG-CD2 3.41Å; Y190-F221 VanDerWaalsContact CB-CD1 3.49Å; Y190-F221 HydrophobicContact CD1-CE1 4.21Å; Y190-F221 HydrophobicContact CG-CD1 4.23Å; Y190-F221 AromaticContact CG-CE1 3.9Å; Y190-F221 HydrophobicContact CG-CE1 3.9Å; Y190-F222 WeakPolarHBondContact O-CD2 3.49Å; Y190-F222 PolarHBondContact O-N 3.28Å; Y190-F261 HydrophobicContact CD1-CE1 4.49Å
191	G	97.7	Very high	96.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-81.9	160.1	170.6	0	0	0	0	0	111.6	D189 Y193 D194 F222 V260	D189-G191 PolarHBondContact O-N 3.41Å; G191-Y193 PolarHBondContact O-N 2.95Å; G191-D194 WeakPolarHBondContact O-CB 3.27Å; G191-D194 PolarHBondContact O-N 2.63Å; G191-F222 CarbonylContact C-O 3.51Å; G191-V260 PolarHBondContact N-O 2.88Å
192	L	96.6	Very high	96	Very high	16 Å²	16	34.3 Å²	34.3	8%	0.084	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	137.1	173.3	-166.1	69.4	0	0	0	110.7	A11 D194 M197 F222 T223 Y243	A11-L192 HydrophobicContact CB-CD2 4.42Å; L192-D194 PolarHBondContact O-N 3.25Å; L192-M197 HydrophobicContact CD1-CE 4.27Å; L192-M197 HydrophobicContact CD1-SD 4.29Å; L192-F222 PolarHBondContact N-O 2.82Å; L192-T223 HydrophobicContact CD1-CG2 4.29Å; L192-T223 HydrophobicContact CD2-CG2 3.99Å; L192-T223 HydrophobicContact CG-CG2 4.5Å; L192-Y243 HydrophobicContact CB-CE1 4.29Å
193	Y	95.6	Very high	95.9	Very high	68 Å²	68	34.5 Å²	34.5	27%	0.267	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	19.7	179.3	-47.9	-39.5	0	0	0	115.9	A11 R12 L14 L22 G191 M197	A11-Y193 HydrophobicContact CB-CD2 4.35Å; A11-Y193 HydrophobicContact CB-CE2 4.4Å; R12-Y193 PolarHBondContact NH1-O 2.77Å; R12-Y193 VanDerWaalsContact NH1-O 3.13Å; R12-Y193 WeakPolarHBondContact O-CD2 3.43Å; L14-Y193 HydrophobicContact CD1-CD1 3.64Å; L14-Y193 HydrophobicContact CD1-CD2 4.36Å; L14-Y193 HydrophobicContact CD1-CE1 3.63Å; L14-Y193 HydrophobicContact CD1-CE2 4.33Å; L14-Y193 HydrophobicContact CD1-CG 4.01Å; L14-Y193 HydrophobicContact CD2-CD1 4.03Å; L14-Y193 HydrophobicContact CD2-CD2 4.28Å; L14-Y193 HydrophobicContact CD2-CG 3.73Å; L14-Y193 HydrophobicContact CG-CD1 4Å; L14-Y193 HydrophobicContact CG-CD2 4Å; L14-Y193 HydrophobicContact CG-CE1 4.3Å; L14-Y193 HydrophobicContact CG-CE2 4.27Å; L14-Y193 HydrophobicContact CG-CG 3.83Å; L22-Y193 HydrophobicContact CD1-CD1 3.83Å; L22-Y193 HydrophobicContact CD1-CE1 3.8Å; G191-Y193 PolarHBondContact O-N 2.95Å; Y193-M197 HydrophobicContact CD1-SD 4.19Å
194	D	96.6	Very high	95.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.			trans	-52.2	145.2	163.6	-175.4	-120.6	0	0	0	110.5	G191 L192 A196 M197 L198 F221 R259 V260	G191-D194 WeakPolarHBondContact O-CB 3.27Å; G191-D194 PolarHBondContact O-N 2.63Å; L192-D194 PolarHBondContact O-N 3.25Å; D194-A196 PolarHBondContact O-N 2.82Å; D194-A196 VanDerWaalsContact O-N 3.07Å; D194-A196 WeakPolarHBondContact OD1-CB 3.5Å; D194-A196 PolarHBondContact OD1-N 3.29Å; D194-M197 VanDerWaalsContact O-CB 3.23Å; D194-M197 WeakPolarHBondContact O-CB 3.38Å; D194-M197 PolarHBondContact O-N 3.16Å; D194-L198 PolarHBondContact O-N 2.81Å; D194-F221 HydrophobicContact CB-CD1 4Å; D194-F221 HydrophobicContact CB-CE1 3.94Å; D194-R259 IonicContact OD1-CZ 2.83Å; D194-R259 IonicContact OD1-NE 3.6Å; D194-R259 PolarHBondContact OD1-NE 2.8Å; D194-R259 IonicContact OD1-NH2 3.46Å; D194-R259 PolarHBondContact OD1-NH2 3Å; D194-R259 WeakPolarHBondContact OD2-CA 3.34Å; D194-R259 IonicContact OD2-CZ 3.68Å; D194-R259 IonicContact OD2-NE 3.66Å; D194-R259 PolarHBondContact OD2-NE 2.72Å; D194-R259 IonicContact OD2-NH2 2.63Å; D194-V260 HydrophobicContact CB-CB 4.14Å; D194-V260 PolarHBondContact OD2-N 2.84Å
195	H	93.9	Very high	95.9	Very high	45 Å²	45	34.7 Å²	34.7	21%	0.208	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-28	177.7	179.2	80.6	0	0	0	112.8	M197 L198 R199 V257 P258	H195-M197 VanDerWaalsContact C-N 3.32Å; H195-M197 PolarHBondContact O-N 2.8Å; H195-L198 PolarHBondContact O-N 2.8Å; H195-R199 VanDerWaalsContact NE2-CD 3.32Å; H195-R199 WeakPolarHBondContact NE2-CD 3.39Å; H195-R199 WeakPolarHBondContact O-CG 3.33Å; H195-R199 PolarHBondContact O-N 2.94Å; H195-V257 HydrophobicContact CB-CB 4.29Å; H195-V257 WeakPolarHBondContact NE2-CG1 3.01Å; H195-P258 WeakPolarHBondContact CB-O 3.36Å
196	A	93.8	Very high	95.9	Very high	12 Å²	12	35.1 Å²	35.1	10%	0.099	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-34.2	174.1	0	0	0	0	0	113.1	D194 R199 F200 F221	D194-A196 PolarHBondContact O-N 2.82Å; D194-A196 VanDerWaalsContact O-N 3.07Å; D194-A196 WeakPolarHBondContact OD1-CB 3.5Å; D194-A196 PolarHBondContact OD1-N 3.29Å; A196-R199 PolarHBondContact O-N 3.09Å; A196-F200 WeakPolarHBondContact O-CD2 3.33Å; A196-F221 HydrophobicContact CB-CE1 4.13Å; A196-F221 HydrophobicContact CB-CZ 4.15Å
197	M	95.8	Very high	95.8	Very high	5 Å²	5	36 Å²	36	3%	0.025	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-48.5	175.6	-171.7	-177.8	175.8	0	0	110.2	L22 L192 Y193 D194 H195 R199 F200 N209 Y211 F221	L22-M197 HydrophobicContact CD1-CE 4.2Å; L22-M197 HydrophobicContact CD2-CE 4.15Å; L192-M197 HydrophobicContact CD1-CE 4.27Å; L192-M197 HydrophobicContact CD1-SD 4.29Å; Y193-M197 HydrophobicContact CD1-SD 4.19Å; D194-M197 VanDerWaalsContact O-CB 3.23Å; D194-M197 WeakPolarHBondContact O-CB 3.38Å; D194-M197 PolarHBondContact O-N 3.16Å; H195-M197 VanDerWaalsContact C-N 3.32Å; H195-M197 PolarHBondContact O-N 2.8Å; M197-R199 PolarHBondContact O-N 2.65Å; M197-R199 VanDerWaalsContact O-N 3.11Å; M197-F200 WeakPolarHBondContact O-CD2 3.44Å; M197-F200 PolarHBondContact O-N 2.75Å; M197-N209 WeakPolarHBondContact CE-OD1 3.07Å; M197-Y211 HydrophobicContact CE-CE2 4.07Å; M197-Y211 HydrophobicContact CG-CE2 3.95Å; M197-F221 HydrophobicContact CB-CD1 3.65Å; M197-F221 HydrophobicContact CB-CD2 3.82Å; M197-F221 HydrophobicContact CB-CE1 3.59Å; M197-F221 HydrophobicContact CB-CE2 3.76Å; M197-F221 HydrophobicContact CB-CG 3.78Å; M197-F221 HydrophobicContact CB-CZ 3.65Å; M197-F221 HydrophobicContact CG-CB 4.48Å; M197-F221 HydrophobicContact CG-CD1 4.25Å; M197-F221 HydrophobicContact CG-CD2 3.67Å; M197-F221 HydrophobicContact CG-CE1 4.49Å; M197-F221 HydrophobicContact CG-CE2 3.93Å; M197-F221 HydrophobicContact CG-CG 3.85Å; M197-F221 HydrophobicContact CG-CZ 4.34Å; M197-F221 VanDerWaalsContact N-CZ 3.27Å; M197-F221 HydrophobicContact SD-CB 4Å; M197-F221 HydrophobicContact SD-CD2 4.27Å; M197-F221 HydrophobicContact SD-CG 4Å
198	L	94	Very high	95.7	Very high	11 Å²	11	43.6 Å²	43.6	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-11.4	-176	-60.5	172.4	0	0	0	113	L14 E18 K21 L22 D194 H195	L14-L198 HydrophobicContact CD2-CD1 4.22Å; L14-L198 HydrophobicContact CD2-CD2 4.3Å; E18-L198 HydrophobicContact CB-CD1 4.43Å; E18-L198 HydrophobicContact CB-CD2 4.17Å; E18-L198 HydrophobicContact CG-CD1 3.91Å; E18-L198 HydrophobicContact CG-CD2 4.39Å; E18-L198 WeakPolarHBondContact OE1-CD1 3.42Å; K21-L198 WeakPolarHBondContact CE-O 3.24Å; K21-L198 PolarHBondContact NZ-O 2.88Å; L22-L198 HydrophobicContact CD1-CD2 3.86Å; L22-L198 HydrophobicContact CD2-CD2 4.08Å; L22-L198 HydrophobicContact CG-CD2 3.93Å; D194-L198 PolarHBondContact O-N 2.81Å; H195-L198 PolarHBondContact O-N 2.8Å
199	R	93.4	Very high	95.6	Very high	172 Å²	172	44.1 Å²	44.1	65%	0.649	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-13	177.8	-77.8	-179.1	62.8	-162.7	1.8	114.2	H195 A196 M197	H195-R199 VanDerWaalsContact NE2-CD 3.32Å; H195-R199 WeakPolarHBondContact NE2-CD 3.39Å; H195-R199 WeakPolarHBondContact O-CG 3.33Å; H195-R199 PolarHBondContact O-N 2.94Å; A196-R199 PolarHBondContact O-N 3.09Å; M197-R199 PolarHBondContact O-N 2.65Å; M197-R199 VanDerWaalsContact O-N 3.11Å
200	F	95.1	Very high	95.6	Very high	19 Å²	19	44.3 Å²	44.3	8%	0.083	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-62	140.7	176.5	-77.2	-74.3	0	0	0	110.9	A196 M197 Y211 V212 R213 F221	A196-F200 WeakPolarHBondContact O-CD2 3.33Å; M197-F200 WeakPolarHBondContact O-CD2 3.44Å; M197-F200 PolarHBondContact O-N 2.75Å; F200-Y211 HydrophobicContact CB-CD1 3.81Å; F200-Y211 HydrophobicContact CB-CE1 4.28Å; F200-Y211 HydrophobicContact CB-CG 4.37Å; F200-Y211 HydrophobicContact CD1-CD1 4.43Å; F200-Y211 HydrophobicContact CD1-CG 4.41Å; F200-Y211 AromaticContact CD2-CD1 3.98Å; F200-Y211 HydrophobicContact CD2-CD1 3.98Å; F200-Y211 HydrophobicContact CD2-CD2 4.14Å; F200-Y211 AromaticContact CD2-CG 3.64Å; F200-Y211 HydrophobicContact CD2-CG 3.64Å; F200-Y211 HydrophobicContact CE2-CD2 4.38Å; F200-Y211 AromaticContact CE2-CG 3.99Å; F200-Y211 HydrophobicContact CE2-CG 3.99Å; F200-Y211 AromaticContact CG-CD1 3.82Å; F200-Y211 HydrophobicContact CG-CD1 3.82Å; F200-Y211 AromaticContact CG-CG 3.88Å; F200-Y211 HydrophobicContact CG-CG 3.88Å; F200-V212 VanDerWaalsContact CE1-O 3.24Å; F200-V212 WeakPolarHBondContact CE1-O 3.27Å; F200-R213 HydrophobicContact CE1-CG 3.89Å; F200-R213 HydrophobicContact CZ-CG 3.92Å; F200-F221 HydrophobicContact CD2-CE2 4.26Å; F200-F221 AromaticContact CE2-CE2 3.74Å; F200-F221 HydrophobicContact CE2-CE2 3.74Å; F200-F221 AromaticContact CE2-CZ 3.89Å; F200-F221 HydrophobicContact CE2-CZ 3.89Å
201	K	92.1	Very high	95.7	Very high	156 Å²	156	42.8 Å²	42.8	68%	0.678	22%	0.222	S	C	*	.	P	Polyproline II helix	trans	-92.6	155	176	-62.4	-174.7	-179.7	-176.3	0	108.9	G203 S204	K201-G203 PolarHBondContact O-N 3.09Å; K201-S204 VanDerWaalsContact O-CB 3.22Å; K201-S204 WeakPolarHBondContact O-CB 3.24Å; K201-S204 PolarHBondContact O-N 2.76Å; K201-S204 VanDerWaalsContact O-N 3.11Å; K201-S204 PolarHBondContact O-OG 2.88Å
202	A	91.5	Very high	95.7	Very high	87 Å²	87	43.1 Å²	43.1	72%	0.719	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.8	138.9	171.7	0	0	0	0	0	111
203	G	93.5	Very high	95.6	Very high	34 Å²	34	46.1 Å²	46.1	35%	0.351	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	11.2	-174.7	0	0	0	0	0	114.9	V29 K201	V29-G203 WeakPolarHBondContact CG2-O 3.45Å; K201-G203 PolarHBondContact O-N 3.09Å
204	S	96.8	Very high	95.6	Very high	22 Å²	22	52.1 Å²	52.1	15%	0.154	27%	0.265	C	S	.	.			trans	-102.4	-7.3	171	-47.1	0	0	0	0	113	K201 Y211 V212	K201-S204 VanDerWaalsContact O-CB 3.22Å; K201-S204 WeakPolarHBondContact O-CB 3.24Å; K201-S204 PolarHBondContact O-N 2.76Å; K201-S204 VanDerWaalsContact O-N 3.11Å; K201-S204 PolarHBondContact O-OG 2.88Å; S204-Y211 CarbonylContact O-C 3.57Å; S204-Y211 WeakPolarHBondContact O-CA 3.23Å; S204-V212 WeakPolarHBondContact CB-O 3.11Å; S204-V212 PolarHBondContact O-N 3Å
205	K	97.6	Very high	95.6	Very high	35 Å²	35	53.9 Å²	53.9	15%	0.152	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.9	-174.8	-165.6	167.1	-178.8	160.5	0	110.7	D25 L28 V29 G207 Y211	D25-K205 VanDerWaalsContact O-CD 3.26Å; D25-K205 WeakPolarHBondContact O-CD 3.38Å; D25-K205 PolarHBondContact O-NZ 3.32Å; L28-K205 CarbonylContact C-O 3.55Å; L28-K205 WeakPolarHBondContact CA-O 3.3Å; L28-K205 HydrophobicContact CD2-CB 4.32Å; L28-K205 HydrophobicContact CD2-CD 4.33Å; L28-K205 HydrophobicContact CD2-CG 3.89Å; V29-K205 WeakPolarHBondContact CG2-O 3.29Å; V29-K205 PolarHBondContact N-O 3.3Å; K205-G207 VanDerWaalsContact CE-O 3.26Å; K205-G207 WeakPolarHBondContact CE-O 3.26Å; K205-G207 VanDerWaalsContact CG-O 3.27Å; K205-G207 WeakPolarHBondContact CG-O 3.32Å; K205-Y211 HydrophobicContact CB-CD1 4.12Å; K205-Y211 HydrophobicContact CB-CE1 3.99Å; K205-Y211 HydrophobicContact CD-CE1 4.18Å; K205-Y211 HydrophobicContact CG-CD1 4.28Å; K205-Y211 HydrophobicContact CG-CE1 3.87Å
206	L	97.9	Very high	95.7	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.047	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-33	174.8	-63.2	177.3	0	0	0	111.1	V29 Q34 L37 F210 V212 R218	V29-L206 HydrophobicContact CB-CD2 3.97Å; V29-L206 HydrophobicContact CG1-CD2 4.3Å; V29-L206 HydrophobicContact CG2-CD2 4.03Å; Q34-L206 HydrophobicContact CG-CD2 3.96Å; Q34-L206 PolarHBondContact OE1-O 2.96Å; L37-L206 HydrophobicContact CD1-CD2 3.81Å; L206-F210 HydrophobicContact CB-CB 4.37Å; L206-F210 HydrophobicContact CB-CD1 3.42Å; L206-F210 VanDerWaalsContact CB-CD1 3.42Å; L206-F210 HydrophobicContact CB-CE1 3.92Å; L206-F210 HydrophobicContact CB-CG 4.04Å; L206-F210 HydrophobicContact CD1-CD1 3.77Å; L206-F210 HydrophobicContact CD1-CE1 3.48Å; L206-F210 VanDerWaalsContact CD1-CE1 3.48Å; L206-F210 HydrophobicContact CD1-CE2 4.35Å; L206-F210 HydrophobicContact CD1-CG 4.31Å; L206-F210 HydrophobicContact CD1-CZ 3.81Å; L206-F210 HydrophobicContact CG-CD1 4.25Å; L206-F210 HydrophobicContact CG-CE1 4.37Å; L206-F210 PolarHBondContact N-O 2.93Å; L206-V212 HydrophobicContact CD1-CB 3.93Å; L206-V212 HydrophobicContact CD2-CB 4.13Å; L206-V212 HydrophobicContact CD2-CG1 4.2Å; L206-V212 HydrophobicContact CG-CB 4.03Å; L206-V212 HydrophobicContact CG-CG1 4.42Å; L206-R218 HydrophobicContact CD1-CB 4.42Å; L206-R218 HydrophobicContact CD1-CG 3.85Å
207	G	97.1	Very high	95.9	Very high	19 Å²	19	51.9 Å²	51.9	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-167.9	178.5	0	0	0	0	0	110.8	K205 N209 F210	K205-G207 VanDerWaalsContact CE-O 3.26Å; K205-G207 WeakPolarHBondContact CE-O 3.26Å; K205-G207 VanDerWaalsContact CG-O 3.27Å; K205-G207 WeakPolarHBondContact CG-O 3.32Å; G207-N209 PolarHBondContact O-N 2.92Å; G207-F210 PolarHBondContact N-O 2.9Å; G207-F210 VanDerWaalsContact N-O 3.16Å; G207-F210 PolarHBondContact O-N 3.31Å
208	E	95.9	Very high	96	Very high	158 Å²	158	52.4 Å²	52.4	74%	0.738	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	127.9	170.4	-174.6	164.3	-155.7	0	0	109.9	F210 Y220	E208-F210 PolarHBondContact O-N 3.13Å; E208-Y220 WeakPolarHBondContact O-CE2 3.29Å
209	N	97.2	Very high	96.2	Very high	22 Å²	22	52 Å²	52	12%	0.118	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	12.1	-176.6	-56.2	-32.3	0	0	0	115.9	M197 G207 Y220 F221	M197-N209 WeakPolarHBondContact CE-OD1 3.07Å; G207-N209 PolarHBondContact O-N 2.92Å; N209-Y220 HydrophobicContact CB-CD2 4.47Å; N209-Y220 HydrophobicContact CB-CE2 4.03Å; N209-Y220 CarbonylContact O-C 3.51Å; N209-Y220 VanDerWaalsContact O-CA 3.29Å; N209-Y220 WeakPolarHBondContact O-CA 3.2Å; N209-F221 HydrophobicContact CB-CB 4.37Å; N209-F221 WeakPolarHBondContact CB-O 3.48Å; N209-F221 WeakPolarHBondContact O-CD2 3.42Å; N209-F221 PolarHBondContact O-N 2.94Å
210	F	98.3	Very high	96.4	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.022	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.6	-174.4	-168.1	-141.5	0	0	0	111.6	H164 P165 L206 G207 E208 R218 Y220	H164-F210 AromaticContact CD2-CE1 3.69Å; P165-F210 HydrophobicContact CG-CB 4.49Å; P165-F210 HydrophobicContact CG-CD1 4.28Å; P165-F210 HydrophobicContact CG-CD2 4.5Å; P165-F210 HydrophobicContact CG-CG 4.2Å; L206-F210 HydrophobicContact CB-CB 4.37Å; L206-F210 HydrophobicContact CB-CD1 3.42Å; L206-F210 VanDerWaalsContact CB-CD1 3.42Å; L206-F210 HydrophobicContact CB-CE1 3.92Å; L206-F210 HydrophobicContact CB-CG 4.04Å; L206-F210 HydrophobicContact CD1-CD1 3.77Å; L206-F210 HydrophobicContact CD1-CE1 3.48Å; L206-F210 VanDerWaalsContact CD1-CE1 3.48Å; L206-F210 HydrophobicContact CD1-CE2 4.35Å; L206-F210 HydrophobicContact CD1-CG 4.31Å; L206-F210 HydrophobicContact CD1-CZ 3.81Å; L206-F210 HydrophobicContact CG-CD1 4.25Å; L206-F210 HydrophobicContact CG-CE1 4.37Å; L206-F210 PolarHBondContact N-O 2.93Å; G207-F210 PolarHBondContact N-O 2.9Å; G207-F210 VanDerWaalsContact N-O 3.16Å; G207-F210 PolarHBondContact O-N 3.31Å; E208-F210 PolarHBondContact O-N 3.13Å; F210-R218 HydrophobicContact CE2-CB 3.68Å; F210-R218 HydrophobicContact CZ-CB 3.9Å; F210-R218 HydrophobicContact CZ-CG 4.26Å; F210-Y220 HydrophobicContact CB-CD2 3.8Å; F210-Y220 HydrophobicContact CB-CE2 4.35Å; F210-Y220 HydrophobicContact CD2-CD2 4.06Å; F210-Y220 HydrophobicContact CG-CD2 4.2Å
211	Y	98.4	Very high	96.6	Very high	3 Å²	3	43.8 Å²	43.8	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.7	-169.9	-60.1	-92.4	0	0	0	112.5	D25 M197 F200 S204 K205 R218 S219 F221	D25-Y211 WeakPolarHBondContact OD2-CE1 3.29Å; M197-Y211 HydrophobicContact CE-CE2 4.07Å; M197-Y211 HydrophobicContact CG-CE2 3.95Å; F200-Y211 HydrophobicContact CB-CD1 3.81Å; F200-Y211 HydrophobicContact CB-CE1 4.28Å; F200-Y211 HydrophobicContact CB-CG 4.37Å; F200-Y211 HydrophobicContact CD1-CD1 4.43Å; F200-Y211 HydrophobicContact CD1-CG 4.41Å; F200-Y211 AromaticContact CD2-CD1 3.98Å; F200-Y211 HydrophobicContact CD2-CD1 3.98Å; F200-Y211 HydrophobicContact CD2-CD2 4.14Å; F200-Y211 AromaticContact CD2-CG 3.64Å; F200-Y211 HydrophobicContact CD2-CG 3.64Å; F200-Y211 HydrophobicContact CE2-CD2 4.38Å; F200-Y211 AromaticContact CE2-CG 3.99Å; F200-Y211 HydrophobicContact CE2-CG 3.99Å; F200-Y211 AromaticContact CG-CD1 3.82Å; F200-Y211 HydrophobicContact CG-CD1 3.82Å; F200-Y211 AromaticContact CG-CG 3.88Å; F200-Y211 HydrophobicContact CG-CG 3.88Å; S204-Y211 CarbonylContact O-C 3.57Å; S204-Y211 WeakPolarHBondContact O-CA 3.23Å; K205-Y211 HydrophobicContact CB-CD1 4.12Å; K205-Y211 HydrophobicContact CB-CE1 3.99Å; K205-Y211 HydrophobicContact CD-CE1 4.18Å; K205-Y211 HydrophobicContact CG-CD1 4.28Å; K205-Y211 HydrophobicContact CG-CE1 3.87Å; Y211-R218 CarbonylContact O-C 3.56Å; Y211-R218 VanDerWaalsContact O-CA 3.27Å; Y211-R218 WeakPolarHBondContact O-CA 3.48Å; Y211-S219 PolarHBondContact N-O 3.2Å; Y211-S219 PolarHBondContact O-N 3.03Å; Y211-F221 AromaticContact CD2-CD2 3.81Å; Y211-F221 HydrophobicContact CD2-CD2 3.81Å; Y211-F221 AromaticContact CD2-CE2 3.75Å; Y211-F221 HydrophobicContact CD2-CE2 3.75Å; Y211-F221 HydrophobicContact CE2-CD2 4.05Å; Y211-F221 HydrophobicContact CE2-CE2 4.31Å
212	V	97.9	Very high	96.9	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.042	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137	173.9	70.9	0	0	0	0	111.7	V29 L37 F200 S204 L206 R218	V29-V212 HydrophobicContact CG2-CG1 4.16Å; L37-V212 HydrophobicContact CD1-CB 4.08Å; L37-V212 HydrophobicContact CD1-CG1 4.19Å; L37-V212 HydrophobicContact CD1-CG2 3.66Å; L37-V212 HydrophobicContact CD2-CG2 3.73Å; L37-V212 HydrophobicContact CG-CG2 4.33Å; F200-V212 VanDerWaalsContact CE1-O 3.24Å; F200-V212 WeakPolarHBondContact CE1-O 3.27Å; S204-V212 WeakPolarHBondContact CB-O 3.11Å; S204-V212 PolarHBondContact O-N 3Å; L206-V212 HydrophobicContact CD1-CB 3.93Å; L206-V212 HydrophobicContact CD2-CB 4.13Å; L206-V212 HydrophobicContact CD2-CG1 4.2Å; L206-V212 HydrophobicContact CG-CB 4.03Å; L206-V212 HydrophobicContact CG-CG1 4.42Å; V212-R218 HydrophobicContact CG2-CG 4.27Å
213	R	96.3	Very high	97.2	Very high	80 Å²	80	33.4 Å²	33.4	30%	0.302	18%	0.175	S	C	.	.			trans	-84.5	169.6	172.6	-62	-175.2	-172.5	-85.2	-4.6	111.1	F200 D215 G216 T217 S219	F200-R213 HydrophobicContact CE1-CG 3.89Å; F200-R213 HydrophobicContact CZ-CG 3.92Å; R213-D215 WeakPolarHBondContact CB-OD1 3.45Å; R213-D215 PolarHBondContact O-N 3.38Å; R213-G216 PolarHBondContact O-N 3.24Å; R213-G216 VanDerWaalsContact O-N 3.1Å; R213-T217 WeakPolarHBondContact CD-OG1 3.16Å; R213-T217 PolarHBondContact N-O 2.9Å; R213-S219 PolarHBondContact NE-OG 2.9Å; R213-S219 PolarHBondContact NH2-OG 3.49Å
214	Q	94.7	Very high	97.4	Very high	194 Å²	194	32.9 Å²	32.9	91%	0.907	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-27.3	-179.6	-68	-178.3	-16.9	0	0	113.5	G216	Q214-G216 VanDerWaalsContact C-N 3.27Å
215	D	95.6	Very high	97.4	Very high	37 Å²	37	36.8 Å²	36.8	20%	0.198	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	0.3	177.1	59.2	13.3	0	0	0	113.8	F48 R213 T217	F48-D215 WeakPolarHBondContact CD2-OD2 3.24Å; R213-D215 WeakPolarHBondContact CB-OD1 3.45Å; R213-D215 PolarHBondContact O-N 3.38Å; D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 WeakPolarHBondContact OD1-CB 3.25Å; D215-T217 PolarHBondContact OD1-N 2.71Å; D215-T217 PolarHBondContact OD1-OG1 3.29Å
216	G	97.3	Very high	97.4	Very high	9 Å²	9	38.2 Å²	38.2	9%	0.093	19%	0.186	C	C	.	.	S	Bend	trans	85.9	-4.9	-179	0	0	0	0	0	114.5	N44 R213 Q214	N44-G216 PolarHBondContact ND2-O 2.82Å; R213-G216 PolarHBondContact O-N 3.24Å; R213-G216 VanDerWaalsContact O-N 3.1Å; Q214-G216 VanDerWaalsContact C-N 3.27Å
217	T	97.4	Very high	97.4	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.031	18%	0.184	C	C	.	.			trans	-70.6	158.6	169.5	65.6	0	0	0	0	110.3	W45 F48 R213 D215	W45-T217 HydrophobicContact CD2-CG2 3.97Å; W45-T217 HydrophobicContact CE3-CG2 4.09Å; W45-T217 HydrophobicContact CG-CG2 4.49Å; W45-T217 HydrophobicContact CH2-CG2 4.37Å; W45-T217 HydrophobicContact CZ2-CG2 4.24Å; W45-T217 HydrophobicContact CZ3-CG2 4.3Å; F48-T217 HydrophobicContact CB-CG2 4.16Å; R213-T217 WeakPolarHBondContact CD-OG1 3.16Å; R213-T217 PolarHBondContact N-O 2.9Å; D215-T217 VanDerWaalsContact C-N 3.31Å; D215-T217 WeakPolarHBondContact OD1-CB 3.25Å; D215-T217 PolarHBondContact OD1-N 2.71Å; D215-T217 PolarHBondContact OD1-OG1 3.29Å
218	R	97.8	Very high	97.5	Very high	17 Å²	17	36.9 Å²	36.9	6%	0.064	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	158.3	-169.9	-57.4	177.3	-62.9	-174.6	-4.3	111.1	E38 L206 F210 Y211 V212	E38-R218 IonicContact OE2-CZ 3.98Å; E38-R218 VanDerWaalsContact OE2-CZ 3.24Å; E38-R218 IonicContact OE2-NH1 3.98Å; E38-R218 PolarHBondContact OE2-NH1 2.9Å; E38-R218 IonicContact OE2-NH2 2.93Å; E38-R218 PolarHBondContact OE2-NH2 3.49Å; L206-R218 HydrophobicContact CD1-CB 4.42Å; L206-R218 HydrophobicContact CD1-CG 3.85Å; F210-R218 HydrophobicContact CE2-CB 3.68Å; F210-R218 HydrophobicContact CZ-CB 3.9Å; F210-R218 HydrophobicContact CZ-CG 4.26Å; Y211-R218 CarbonylContact O-C 3.56Å; Y211-R218 VanDerWaalsContact O-CA 3.27Å; Y211-R218 WeakPolarHBondContact O-CA 3.48Å; V212-R218 HydrophobicContact CG2-CG 4.27Å
219	S	98.1	Very high	97.6	Very high	3 Å²	3	34 Å²	34	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	121.2	177.8	-58.9	0	0	0	0	109.7	S161 Y211 R213	S161-S219 CarbonylContact O-C 3.5Å; S161-S219 WeakPolarHBondContact O-CA 3.44Å; Y211-S219 PolarHBondContact N-O 3.2Å; Y211-S219 PolarHBondContact O-N 3.03Å; R213-S219 PolarHBondContact NE-OG 2.9Å; R213-S219 PolarHBondContact NH2-OG 3.49Å
220	Y	98.7	Very high	97.7	Very high	17 Å²	17	33.8 Å²	33.8	7%	0.067	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.6	165.5	-166.9	-97.3	0	0	0	110.4	S161 P165 M168 E208 N209 F210 F222 F226	S161-Y220 VanDerWaalsContact CB-O 3.24Å; S161-Y220 WeakPolarHBondContact CB-O 3.43Å; S161-Y220 PolarHBondContact O-N 2.93Å; P165-Y220 HydrophobicContact CB-CD2 4.46Å; P165-Y220 HydrophobicContact CB-CE2 4.22Å; P165-Y220 HydrophobicContact CG-CD2 3.5Å; P165-Y220 VanDerWaalsContact CG-CD2 3.5Å; P165-Y220 HydrophobicContact CG-CE2 3.61Å; P165-Y220 HydrophobicContact CG-CG 4.4Å; M168-Y220 HydrophobicContact CE-CD1 4.01Å; M168-Y220 HydrophobicContact CE-CD2 4.3Å; M168-Y220 HydrophobicContact CE-CG 3.78Å; E208-Y220 WeakPolarHBondContact O-CE2 3.29Å; N209-Y220 HydrophobicContact CB-CD2 4.47Å; N209-Y220 HydrophobicContact CB-CE2 4.03Å; N209-Y220 CarbonylContact O-C 3.51Å; N209-Y220 VanDerWaalsContact O-CA 3.29Å; N209-Y220 WeakPolarHBondContact O-CA 3.2Å; F210-Y220 HydrophobicContact CB-CD2 3.8Å; F210-Y220 HydrophobicContact CB-CE2 4.35Å; F210-Y220 HydrophobicContact CD2-CD2 4.06Å; F210-Y220 HydrophobicContact CG-CD2 4.2Å; Y220-F222 AromaticContact CD1-CD1 3.76Å; Y220-F222 HydrophobicContact CD1-CD1 3.76Å; Y220-F222 AromaticContact CD1-CD2 3.97Å; Y220-F222 HydrophobicContact CD1-CD2 3.97Å; Y220-F222 AromaticContact CD1-CE1 3.69Å; Y220-F222 HydrophobicContact CD1-CE1 3.69Å; Y220-F222 AromaticContact CD1-CE2 3.91Å; Y220-F222 HydrophobicContact CD1-CE2 3.91Å; Y220-F222 AromaticContact CD1-CG 3.89Å; Y220-F222 HydrophobicContact CD1-CG 3.89Å; Y220-F222 AromaticContact CD1-CZ 3.75Å; Y220-F222 HydrophobicContact CD1-CZ 3.75Å; Y220-F222 AromaticContact CE1-CD1 3.84Å; Y220-F222 HydrophobicContact CE1-CD1 3.84Å; Y220-F222 HydrophobicContact CE1-CE1 4.04Å; Y220-F222 HydrophobicContact CE1-CG 4.18Å; Y220-F226 HydrophobicContact CD1-CE1 4.45Å; Y220-F226 AromaticContact CE1-CD1 3.67Å; Y220-F226 HydrophobicContact CE1-CD1 3.67Å; Y220-F226 AromaticContact CE1-CE1 3.58Å; Y220-F226 HydrophobicContact CE1-CE1 3.58Å; Y220-F226 HydrophobicContact CE1-CZ 4.44Å; Y220-F226 AromaticContact CZ-CE1 3.83Å
221	F	98.4	Very high	97.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.			trans	-116.3	115	176.6	-63.6	-88.3	0	0	0	109.4	Y190 D194 A196 M197 F200 N209 Y211	Y190-F221 VanDerWaalsContact CB-CD1 3.49Å; Y190-F221 HydrophobicContact CD1-CE1 4.21Å; Y190-F221 HydrophobicContact CG-CD1 4.23Å; Y190-F221 AromaticContact CG-CE1 3.9Å; Y190-F221 HydrophobicContact CG-CE1 3.9Å; D194-F221 HydrophobicContact CB-CD1 4Å; D194-F221 HydrophobicContact CB-CE1 3.94Å; A196-F221 HydrophobicContact CB-CE1 4.13Å; A196-F221 HydrophobicContact CB-CZ 4.15Å; M197-F221 HydrophobicContact CB-CD1 3.65Å; M197-F221 HydrophobicContact CB-CD2 3.82Å; M197-F221 HydrophobicContact CB-CE1 3.59Å; M197-F221 HydrophobicContact CB-CE2 3.76Å; M197-F221 HydrophobicContact CB-CG 3.78Å; M197-F221 HydrophobicContact CB-CZ 3.65Å; M197-F221 HydrophobicContact CG-CB 4.48Å; M197-F221 HydrophobicContact CG-CD1 4.25Å; M197-F221 HydrophobicContact CG-CD2 3.67Å; M197-F221 HydrophobicContact CG-CE1 4.49Å; M197-F221 HydrophobicContact CG-CE2 3.93Å; M197-F221 HydrophobicContact CG-CG 3.85Å; M197-F221 HydrophobicContact CG-CZ 4.34Å; M197-F221 VanDerWaalsContact N-CZ 3.27Å; M197-F221 HydrophobicContact SD-CB 4Å; M197-F221 HydrophobicContact SD-CD2 4.27Å; M197-F221 HydrophobicContact SD-CG 4Å; F200-F221 HydrophobicContact CD2-CE2 4.26Å; F200-F221 AromaticContact CE2-CE2 3.74Å; F200-F221 HydrophobicContact CE2-CE2 3.74Å; F200-F221 AromaticContact CE2-CZ 3.89Å; F200-F221 HydrophobicContact CE2-CZ 3.89Å; N209-F221 HydrophobicContact CB-CB 4.37Å; N209-F221 WeakPolarHBondContact CB-O 3.48Å; N209-F221 WeakPolarHBondContact O-CD2 3.42Å; N209-F221 PolarHBondContact O-N 2.94Å; Y211-F221 AromaticContact CD2-CD2 3.81Å; Y211-F221 HydrophobicContact CD2-CD2 3.81Å; Y211-F221 AromaticContact CD2-CE2 3.75Å; Y211-F221 HydrophobicContact CD2-CE2 3.75Å; Y211-F221 HydrophobicContact CE2-CD2 4.05Å; Y211-F221 HydrophobicContact CE2-CE2 4.31Å
222	F	98.4	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-83.6	137	-168.1	-67.7	-91.5	0	0	0	112.1	L160 M168 F187 D189 Y190 G191 L192 Y220 F226 L227 L262	L160-F222 HydrophobicContact CB-CE1 4.38Å; L160-F222 HydrophobicContact CB-CE2 4.39Å; L160-F222 HydrophobicContact CB-CZ 3.61Å; M168-F222 HydrophobicContact CE-CE1 4.07Å; M168-F222 HydrophobicContact CE-CZ 3.77Å; M168-F222 HydrophobicContact SD-CE1 3.73Å; M168-F222 HydrophobicContact SD-CZ 3.91Å; F187-F222 HydrophobicContact CZ-CD1 4.45Å; F187-F222 HydrophobicContact CZ-CD2 4.02Å; F187-F222 HydrophobicContact CZ-CE1 4.43Å; F187-F222 AromaticContact CZ-CE2 3.98Å; F187-F222 HydrophobicContact CZ-CE2 3.98Å; F187-F222 HydrophobicContact CZ-CG 4.27Å; F187-F222 HydrophobicContact CZ-CZ 4.22Å; D189-F222 HydrophobicContact CB-CD2 4Å; D189-F222 HydrophobicContact CB-CE2 3.88Å; Y190-F222 WeakPolarHBondContact O-CD2 3.49Å; Y190-F222 PolarHBondContact O-N 3.28Å; G191-F222 CarbonylContact C-O 3.51Å; L192-F222 PolarHBondContact N-O 2.82Å; Y220-F222 AromaticContact CD1-CD1 3.76Å; Y220-F222 HydrophobicContact CD1-CD1 3.76Å; Y220-F222 AromaticContact CD1-CD2 3.97Å; Y220-F222 HydrophobicContact CD1-CD2 3.97Å; Y220-F222 AromaticContact CD1-CE1 3.69Å; Y220-F222 HydrophobicContact CD1-CE1 3.69Å; Y220-F222 AromaticContact CD1-CE2 3.91Å; Y220-F222 HydrophobicContact CD1-CE2 3.91Å; Y220-F222 AromaticContact CD1-CG 3.89Å; Y220-F222 HydrophobicContact CD1-CG 3.89Å; Y220-F222 AromaticContact CD1-CZ 3.75Å; Y220-F222 HydrophobicContact CD1-CZ 3.75Å; Y220-F222 AromaticContact CE1-CD1 3.84Å; Y220-F222 HydrophobicContact CE1-CD1 3.84Å; Y220-F222 HydrophobicContact CE1-CE1 4.04Å; Y220-F222 HydrophobicContact CE1-CG 4.18Å; F222-F226 AromaticContact CD1-CD1 3.92Å; F222-F226 HydrophobicContact CD1-CD1 3.92Å; F222-F226 HydrophobicContact CD1-CE1 4.14Å; F222-F226 HydrophobicContact CE1-CD1 4.3Å; F222-F226 HydrophobicContact CE1-CE1 4.05Å; F222-L227 HydrophobicContact CD1-CB 4.35Å; F222-L227 HydrophobicContact CD1-CD1 3.88Å; F222-L227 HydrophobicContact CE1-CD1 4.05Å; F222-L262 HydrophobicContact CB-CD2 3.72Å
223	T	97.9	Very high	97.7	Very high	26 Å²	26	42.1 Å²	42.1	16%	0.16	20%	0.203	C	C	.	.			trans	-85.6	152.2	152.7	92.2	0	0	0	0	109.3	L192 E225 F226 L227 Y243	L192-T223 HydrophobicContact CD1-CG2 4.29Å; L192-T223 HydrophobicContact CD2-CG2 3.99Å; L192-T223 HydrophobicContact CG-CG2 4.5Å; T223-E225 VanDerWaalsContact C-N 3.28Å; T223-E225 VanDerWaalsContact CB-OE2 3.25Å; T223-E225 WeakPolarHBondContact CB-OE2 3.49Å; T223-E225 PolarHBondContact O-N 3.17Å; T223-E225 PolarHBondContact OG1-N 3.39Å; T223-E225 PolarHBondContact OG1-OE2 3.28Å; T223-F226 PolarHBondContact O-N 3.11Å; T223-F226 PolarHBondContact OG1-N 3.44Å; T223-F226 VanDerWaalsContact OG1-N 3.07Å; T223-L227 PolarHBondContact O-N 2.96Å; T223-L227 VanDerWaalsContact O-N 3.1Å; T223-Y243 VanDerWaalsContact CA-OH 3.24Å; T223-Y243 WeakPolarHBondContact CA-OH 3.24Å
224	D	97	Very high	97.8	Very high	22 Å²	22	39 Å²	39	12%	0.118	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-37.3	174.6	59.4	-62.6	0	0	0	111	R6 L227 A228 N241 Y243 L262	R6-D224 IonicContact NH1-OD2 2.68Å; D224-L227 PolarHBondContact O-N 3.21Å; D224-A228 VanDerWaalsContact O-CB 3.28Å; D224-A228 WeakPolarHBondContact O-CB 3.46Å; D224-A228 PolarHBondContact O-N 2.93Å; D224-N241 PolarHBondContact O-ND2 3.02Å; D224-Y243 HydrophobicContact CB-CE2 4.07Å; D224-Y243 PolarHBondContact N-OH 3.49Å; D224-Y243 VanDerWaalsContact N-OH 3.17Å; D224-Y243 WeakPolarHBondContact OD1-CE2 3.22Å; D224-Y243 PolarHBondContact OD1-OH 2.8Å; D224-L262 HydrophobicContact CB-CD1 3.86Å; D224-L262 HydrophobicContact CB-CD2 4.48Å
225	E	97.4	Very high	97.9	Very high	104 Å²	104	30.9 Å²	30.9	49%	0.486	16%	0.161	S	C	.	.	H	α-helix	trans	-64.9	-46.5	177.3	-53.7	83.1	177.1	0	0	112.5	T223 A228 Q229	T223-E225 VanDerWaalsContact C-N 3.28Å; T223-E225 VanDerWaalsContact CB-OE2 3.25Å; T223-E225 WeakPolarHBondContact CB-OE2 3.49Å; T223-E225 PolarHBondContact O-N 3.17Å; T223-E225 PolarHBondContact OG1-N 3.39Å; T223-E225 PolarHBondContact OG1-OE2 3.28Å; E225-A228 PolarHBondContact O-N 3.08Å; E225-Q229 WeakPolarHBondContact O-CB 3.26Å; E225-Q229 PolarHBondContact O-N 3.2Å
226	F	98.1	Very high	98	Very high	66 Å²	66	29.4 Å²	29.4	29%	0.289	15%	0.153	S	C	.	.	H	α-helix	trans	-62.1	-45.3	178.1	174.3	-99.8	0	0	0	111.3	M168 Y220 F222 T223 Q229 L230	M168-F226 HydrophobicContact SD-CE1 4.07Å; M168-F226 HydrophobicContact SD-CZ 4.42Å; Y220-F226 HydrophobicContact CD1-CE1 4.45Å; Y220-F226 AromaticContact CE1-CD1 3.67Å; Y220-F226 HydrophobicContact CE1-CD1 3.67Å; Y220-F226 AromaticContact CE1-CE1 3.58Å; Y220-F226 HydrophobicContact CE1-CE1 3.58Å; Y220-F226 HydrophobicContact CE1-CZ 4.44Å; Y220-F226 AromaticContact CZ-CE1 3.83Å; F222-F226 AromaticContact CD1-CD1 3.92Å; F222-F226 HydrophobicContact CD1-CD1 3.92Å; F222-F226 HydrophobicContact CD1-CE1 4.14Å; F222-F226 HydrophobicContact CE1-CD1 4.3Å; F222-F226 HydrophobicContact CE1-CE1 4.05Å; T223-F226 PolarHBondContact O-N 3.11Å; T223-F226 PolarHBondContact OG1-N 3.44Å; T223-F226 VanDerWaalsContact OG1-N 3.07Å; F226-Q229 PolarHBondContact O-N 2.74Å; F226-L230 HydrophobicContact CE1-CD2 4.37Å; F226-L230 VanDerWaalsContact O-CB 3.31Å; F226-L230 WeakPolarHBondContact O-CB 3.33Å; F226-L230 PolarHBondContact O-N 2.85Å
227	L	98.4	Very high	98.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-45.5	178.6	-172.8	71.7	0	0	0	111.5	F187 F222 T223 D224 Q229 L230 F231 L262 S264 F266	F187-L227 HydrophobicContact CD1-CD1 4.4Å; F187-L227 HydrophobicContact CD1-CD2 3.39Å; F187-L227 HydrophobicContact CD2-CD1 4.33Å; F187-L227 HydrophobicContact CE1-CD1 3.98Å; F187-L227 HydrophobicContact CE1-CD2 3.36Å; F187-L227 HydrophobicContact CE1-CG 4.33Å; F187-L227 HydrophobicContact CE2-CD1 3.9Å; F187-L227 HydrophobicContact CG-CD2 4.04Å; F187-L227 HydrophobicContact CZ-CD1 3.67Å; F187-L227 HydrophobicContact CZ-CD2 3.96Å; F187-L227 HydrophobicContact CZ-CG 4.5Å; F222-L227 HydrophobicContact CD1-CB 4.35Å; F222-L227 HydrophobicContact CD1-CD1 3.88Å; F222-L227 HydrophobicContact CE1-CD1 4.05Å; T223-L227 PolarHBondContact O-N 2.96Å; T223-L227 VanDerWaalsContact O-N 3.1Å; D224-L227 PolarHBondContact O-N 3.21Å; L227-Q229 PolarHBondContact O-N 2.96Å; L227-L230 PolarHBondContact O-N 2.94Å; L227-F231 HydrophobicContact CD1-CD2 3.92Å; L227-F231 HydrophobicContact CD1-CE2 3.7Å; L227-F231 HydrophobicContact CG-CD2 4.06Å; L227-F231 HydrophobicContact CG-CE2 4.16Å; L227-F231 WeakPolarHBondContact O-CD2 3.3Å; L227-F231 PolarHBondContact O-N 3.46Å; L227-F231 VanDerWaalsContact O-N 3.1Å; L227-L262 HydrophobicContact CB-CD2 3.71Å; L227-L262 HydrophobicContact CD2-CD2 3.38Å; L227-L262 HydrophobicContact CD2-CG 3.96Å; L227-L262 HydrophobicContact CG-CD2 4.15Å; L227-S264 WeakPolarHBondContact CD2-OG 3.27Å; L227-F266 HydrophobicContact CD2-CE2 3.77Å; L227-F266 HydrophobicContact CD2-CZ 4.06Å; L227-F266 HydrophobicContact CG-CE2 3.99Å; L227-F266 HydrophobicContact CG-CZ 4.02Å
228	A	98.4	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-49.7	178	0	0	0	0	0	111.4	D224 E225 L230 F231 M232 E238	D224-A228 VanDerWaalsContact O-CB 3.28Å; D224-A228 WeakPolarHBondContact O-CB 3.46Å; D224-A228 PolarHBondContact O-N 2.93Å; E225-A228 PolarHBondContact O-N 3.08Å; A228-L230 VanDerWaalsContact C-N 3.34Å; A228-L230 PolarHBondContact O-N 3.21Å; A228-F231 PolarHBondContact O-N 3.13Å; A228-M232 HydrophobicContact CB-CE 4.19Å; A228-M232 WeakPolarHBondContact O-CB 3.42Å; A228-M232 VanDerWaalsContact O-CG 3.3Å; A228-M232 WeakPolarHBondContact O-CG 3.43Å; A228-M232 PolarHBondContact O-N 3.37Å; A228-E238 WeakPolarHBondContact CB-OE2 3.48Å
229	Q	98.4	Very high	98	Very high	96 Å²	96	39.3 Å²	39.3	45%	0.449	20%	0.202	S	C	.	.	H	α-helix	trans	-61	-44.6	-179.3	-168.4	63.1	54	0	0	111.2	E225 F226 L227 F231 M232 D233	E225-Q229 WeakPolarHBondContact O-CB 3.26Å; E225-Q229 PolarHBondContact O-N 3.2Å; F226-Q229 PolarHBondContact O-N 2.74Å; L227-Q229 PolarHBondContact O-N 2.96Å; Q229-F231 VanDerWaalsContact C-N 3.33Å; Q229-F231 PolarHBondContact O-N 2.76Å; Q229-M232 PolarHBondContact O-N 3.17Å; Q229-D233 PolarHBondContact NE2-OD1 2.68Å; Q229-D233 PolarHBondContact NE2-OD2 3.45Å; Q229-D233 WeakPolarHBondContact O-CB 3.37Å; Q229-D233 PolarHBondContact O-N 3.15Å
230	L	98.6	Very high	97.9	Very high	18 Å²	18	42 Å²	42	9%	0.094	22%	0.218	C	C	.	.	H	α-helix	trans	-57.7	-42.3	177.8	178.9	67.9	0	0	0	113	L160 M168 H169 L172 F226 L227 A228 T234	L160-L230 HydrophobicContact CD1-CD2 4.36Å; M168-L230 HydrophobicContact CB-CD1 4.19Å; M168-L230 HydrophobicContact CB-CD2 3.65Å; M168-L230 HydrophobicContact CG-CD2 4.5Å; M168-L230 HydrophobicContact SD-CD2 4.07Å; H169-L230 HydrophobicContact CB-CD1 4Å; L172-L230 HydrophobicContact CD1-CD2 4.19Å; L172-L230 HydrophobicContact CD1-CG 3.77Å; F226-L230 HydrophobicContact CE1-CD2 4.37Å; F226-L230 VanDerWaalsContact O-CB 3.31Å; F226-L230 WeakPolarHBondContact O-CB 3.33Å; F226-L230 PolarHBondContact O-N 2.85Å; L227-L230 PolarHBondContact O-N 2.94Å; A228-L230 VanDerWaalsContact C-N 3.34Å; A228-L230 PolarHBondContact O-N 3.21Å; L230-T234 WeakPolarHBondContact O-CG2 3.08Å; L230-T234 PolarHBondContact O-OG1 3.11Å
231	F	98.7	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-72.9	-41.3	176.4	-90.8	-93.3	0	0	0	112.4	L156 L160 L172 V185 F187 L227 A228 Q229 T234 G235 Y236 F266	L156-F231 HydrophobicContact CD2-CZ 4.41Å; L160-F231 HydrophobicContact CD1-CE2 4.41Å; L172-F231 HydrophobicContact CD1-CB 4.44Å; L172-F231 HydrophobicContact CD1-CD1 3.97Å; L172-F231 HydrophobicContact CD1-CD2 3.73Å; L172-F231 HydrophobicContact CD1-CE1 4.15Å; L172-F231 HydrophobicContact CD1-CE2 3.9Å; L172-F231 HydrophobicContact CD1-CG 3.78Å; L172-F231 HydrophobicContact CD1-CZ 4.13Å; L172-F231 HydrophobicContact CD2-CD1 4.25Å; L172-F231 HydrophobicContact CD2-CE1 3.61Å; L172-F231 HydrophobicContact CD2-CE2 3.9Å; L172-F231 HydrophobicContact CD2-CZ 3.42Å; L172-F231 VanDerWaalsContact CD2-CZ 3.42Å; L172-F231 HydrophobicContact CG-CE1 4.49Å; L172-F231 HydrophobicContact CG-CZ 4.44Å; V185-F231 HydrophobicContact CB-CE1 4.01Å; V185-F231 HydrophobicContact CG1-CE1 4.03Å; V185-F231 HydrophobicContact CG1-CZ 4.14Å; V185-F231 HydrophobicContact CG2-CE1 4.32Å; F187-F231 HydrophobicContact CD2-CE2 4.49Å; L227-F231 HydrophobicContact CD1-CD2 3.92Å; L227-F231 HydrophobicContact CD1-CE2 3.7Å; L227-F231 HydrophobicContact CG-CD2 4.06Å; L227-F231 HydrophobicContact CG-CE2 4.16Å; L227-F231 WeakPolarHBondContact O-CD2 3.3Å; L227-F231 PolarHBondContact O-N 3.46Å; L227-F231 VanDerWaalsContact O-N 3.1Å; A228-F231 PolarHBondContact O-N 3.13Å; Q229-F231 VanDerWaalsContact C-N 3.33Å; Q229-F231 PolarHBondContact O-N 2.76Å; F231-T234 CarbonylContact O-C 3.44Å; F231-T234 PolarHBondContact O-N 3.32Å; F231-T234 PolarHBondContact O-OG1 3.38Å; F231-G235 PolarHBondContact O-N 3.31Å; F231-Y236 HydrophobicContact CD1-CD1 4.28Å; F231-Y236 AromaticContact CD1-CD2 3.79Å; F231-Y236 HydrophobicContact CD1-CD2 3.79Å; F231-Y236 HydrophobicContact CD1-CE2 4.3Å; F231-Y236 AromaticContact CD1-CG 3.78Å; F231-Y236 HydrophobicContact CD1-CG 3.78Å; F231-Y236 WeakPolarHBondContact O-CB 3.43Å; F231-Y236 WeakPolarHBondContact O-CD2 3.4Å; F231-Y236 PolarHBondContact O-N 3Å; F231-F266 HydrophobicContact CB-CB 4.43Å; F231-F266 HydrophobicContact CB-CD1 3.41Å; F231-F266 VanDerWaalsContact CB-CD1 3.41Å; F231-F266 HydrophobicContact CB-CD2 4.28Å; F231-F266 HydrophobicContact CB-CE1 3.59Å; F231-F266 HydrophobicContact CB-CE2 4.41Å; F231-F266 HydrophobicContact CB-CG 3.79Å; F231-F266 HydrophobicContact CB-CZ 4.1Å; F231-F266 HydrophobicContact CD1-CB 3.34Å; F231-F266 AromaticContact CD1-CD1 3.9Å; F231-F266 HydrophobicContact CD1-CD1 3.9Å; F231-F266 AromaticContact CD1-CD2 3.57Å; F231-F266 HydrophobicContact CD1-CD2 3.57Å; F231-F266 HydrophobicContact CD1-CE2 4.31Å; F231-F266 AromaticContact CD1-CG 3.32Å; F231-F266 HydrophobicContact CD1-CG 3.32Å; F231-F266 HydrophobicContact CD2-CD1 4.33Å; F231-F266 AromaticContact CD2-CD2 3.67Å; F231-F266 HydrophobicContact CD2-CD2 3.67Å; F231-F266 HydrophobicContact CD2-CE1 4.26Å; F231-F266 AromaticContact CD2-CE2 3.57Å; F231-F266 HydrophobicContact CD2-CE2 3.57Å; F231-F266 HydrophobicContact CD2-CG 4.05Å; F231-F266 AromaticContact CD2-CZ 3.89Å; F231-F266 HydrophobicContact CD2-CZ 3.89Å; F231-F266 HydrophobicContact CE1-CB 3.69Å; F231-F266 AromaticContact CE1-CD2 3.64Å; F231-F266 HydrophobicContact CE1-CD2 3.64Å; F231-F266 HydrophobicContact CE1-CE2 4.48Å; F231-F266 AromaticContact CE1-CG 3.8Å; F231-F266 HydrophobicContact CE1-CG 3.8Å; F231-F266 AromaticContact CE2-CD2 3.76Å; F231-F266 HydrophobicContact CE2-CD2 3.76Å; F231-F266 AromaticContact CE2-CE2 3.79Å; F231-F266 HydrophobicContact CE2-CE2 3.79Å; F231-F266 HydrophobicContact CE2-CG 4.47Å; F231-F266 HydrophobicContact CG-CB 4.01Å; F231-F266 AromaticContact CG-CD1 3.63Å; F231-F266 HydrophobicContact CG-CD1 3.63Å; F231-F266 AromaticContact CG-CD2 3.56Å; F231-F266 HydrophobicContact CG-CD2 3.56Å; F231-F266 AromaticContact CG-CE1 3.93Å; F231-F266 HydrophobicContact CG-CE1 3.93Å; F231-F266 AromaticContact CG-CE2 3.84Å; F231-F266 HydrophobicContact CG-CE2 3.84Å; F231-F266 AromaticContact CG-CG 3.44Å; F231-F266 HydrophobicContact CG-CG 3.44Å; F231-F266 VanDerWaalsContact CG-CG 3.44Å; F231-F266 HydrophobicContact CG-CZ 4.03Å; F231-F266 AromaticContact CZ-CD2 3.73Å; F231-F266 HydrophobicContact CZ-CD2 3.73Å; F231-F266 HydrophobicContact CZ-CE2 4.23Å; F231-F266 HydrophobicContact CZ-CG 4.34Å
232	M	98.1	Very high	97.6	Very high	75 Å²	75	46 Å²	46	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-39.4	178.9	-70.6	-174.2	-60.3	0	0	112.2	A228 Q229 T234 G235 Y236	A228-M232 HydrophobicContact CB-CE 4.19Å; A228-M232 WeakPolarHBondContact O-CB 3.42Å; A228-M232 VanDerWaalsContact O-CG 3.3Å; A228-M232 WeakPolarHBondContact O-CG 3.43Å; A228-M232 PolarHBondContact O-N 3.37Å; Q229-M232 PolarHBondContact O-N 3.17Å; M232-T234 PolarHBondContact O-N 3.21Å; M232-G235 PolarHBondContact O-N 3.44Å; M232-Y236 WeakPolarHBondContact CA-O 3.33Å
233	D	97.9	Very high	97.5	Very high	115 Å²	115	46.2 Å²	46.2	62%	0.615	24%	0.238	S	C	*	.	H	α-helix	trans	-64.7	-21.4	176.7	-70.9	-17.1	0	0	0	112.6	Q229	Q229-D233 PolarHBondContact NE2-OD1 2.68Å; Q229-D233 PolarHBondContact NE2-OD2 3.45Å; Q229-D233 WeakPolarHBondContact O-CB 3.37Å; Q229-D233 PolarHBondContact O-N 3.15Å
234	T	97.9	Very high	97.3	Very high	16 Å²	16	46.1 Å²	46.1	10%	0.098	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	12.4	176.6	54	0	0	0	0	112.9	H169 L172 E173 L230 F231 M232 Y236	H169-T234 HydrophobicContact CB-CG2 3.9Å; L172-T234 HydrophobicContact CB-CG2 4.06Å; L172-T234 HydrophobicContact CD1-CG2 4.46Å; L172-T234 WeakPolarHBondContact CD1-OG1 3.11Å; E173-T234 HydrophobicContact CG-CG2 4.05Å; L230-T234 WeakPolarHBondContact O-CG2 3.08Å; L230-T234 PolarHBondContact O-OG1 3.11Å; F231-T234 CarbonylContact O-C 3.44Å; F231-T234 PolarHBondContact O-N 3.32Å; F231-T234 PolarHBondContact O-OG1 3.38Å; M232-T234 PolarHBondContact O-N 3.21Å; T234-Y236 WeakPolarHBondContact OG1-CD2 3.23Å
235	G	97.7	Very high	97.1	Very high	23 Å²	23	49 Å²	49	24%	0.237	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	15.3	170.1	0	0	0	0	0	115.5	F231 M232 P269	F231-G235 PolarHBondContact O-N 3.31Å; M232-G235 PolarHBondContact O-N 3.44Å; G235-P269 WeakPolarHBondContact O-CD 3.16Å
236	Y	98.5	Very high	96.8	Very high	6 Å²	6	49.5 Å²	49.5	2%	0.024	25%	0.247	C	C	.	.			trans	-91.3	159.8	173.2	-63.6	-94.3	0	0	0	112.5	L172 Y176 L179 V185 F231 M232 T234 F266 L267 K268	L172-Y236 HydrophobicContact CB-CE2 4.06Å; L172-Y236 PolarHBondContact O-OH 2.9Å; L172-Y236 VanDerWaalsContact O-OH 3.08Å; Y176-Y236 VanDerWaalsContact CA-OH 3.3Å; Y176-Y236 WeakPolarHBondContact CA-OH 3.37Å; Y176-Y236 HydrophobicContact CD2-CD2 4.2Å; Y176-Y236 HydrophobicContact CD2-CE1 4.08Å; Y176-Y236 AromaticContact CD2-CE2 3.71Å; Y176-Y236 HydrophobicContact CD2-CE2 3.71Å; Y176-Y236 AromaticContact CD2-CZ 3.65Å; Y176-Y236 PolarHBondContact N-OH 3.37Å; Y176-Y236 VanDerWaalsContact N-OH 3.13Å; L179-Y236 HydrophobicContact CD2-CE1 3.92Å; V185-Y236 HydrophobicContact CG2-CD1 4.34Å; V185-Y236 HydrophobicContact CG2-CE1 3.57Å; F231-Y236 HydrophobicContact CD1-CD1 4.28Å; F231-Y236 AromaticContact CD1-CD2 3.79Å; F231-Y236 HydrophobicContact CD1-CD2 3.79Å; F231-Y236 HydrophobicContact CD1-CE2 4.3Å; F231-Y236 AromaticContact CD1-CG 3.78Å; F231-Y236 HydrophobicContact CD1-CG 3.78Å; F231-Y236 WeakPolarHBondContact O-CB 3.43Å; F231-Y236 WeakPolarHBondContact O-CD2 3.4Å; F231-Y236 PolarHBondContact O-N 3Å; M232-Y236 WeakPolarHBondContact CA-O 3.33Å; T234-Y236 WeakPolarHBondContact OG1-CD2 3.23Å; Y236-F266 HydrophobicContact CD1-CB 4.34Å; Y236-F266 HydrophobicContact CG-CB 4.44Å; Y236-L267 CarbonylContact C-O 3.56Å; Y236-L267 WeakPolarHBondContact CA-O 3.45Å; Y236-K268 HydrophobicContact CD1-CB 4.44Å; Y236-K268 HydrophobicContact CE1-CB 4.37Å
237	E	98.1	Very high	96.5	Very high	102 Å²	102	53.2 Å²	53.2	48%	0.477	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.3	171.1	-72.8	169	-173.1	0	0	110.1	V239 F266 L267 P269	E237-V239 PolarHBondContact O-N 3.06Å; E237-F266 CarbonylContact O-C 3.54Å; E237-F266 VanDerWaalsContact O-CA 3.32Å; E237-F266 WeakPolarHBondContact O-CA 3.47Å; E237-L267 HydrophobicContact CB-CB 4.37Å; E237-L267 PolarHBondContact N-O 3.33Å; E237-L267 PolarHBondContact O-N 3.06Å; E237-P269 HydrophobicContact CG-CG 3.92Å; E237-P269 WeakPolarHBondContact OE1-CG 3.41Å
238	E	97.4	Very high	95.9	Very high	66 Å²	66	56 Å²	56	31%	0.308	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	122.5	173.4	-172.6	-172.9	140.9	0	0	109.9	R6 A228 N241 F266	R6-E238 IonicContact CZ-OE2 3.77Å; R6-E238 IonicContact NE-OE2 3.82Å; R6-E238 IonicContact NH2-OE2 2.92Å; R6-E238 PolarHBondContact NH2-OE2 3.11Å; A228-E238 WeakPolarHBondContact CB-OE2 3.48Å; E238-N241 HydrophobicContact CG-CB 3.9Å; E238-N241 WeakPolarHBondContact OE1-CB 3.33Å; E238-F266 HydrophobicContact CB-CD1 4.18Å; E238-F266 HydrophobicContact CB-CE1 3.89Å; E238-F266 HydrophobicContact CG-CD1 4.48Å; E238-F266 HydrophobicContact CG-CE1 3.86Å
239	V	96.3	Very high	95.4	Very high	71 Å²	71	60 Å²	60	43%	0.43	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-48.2	174.4	-173.1	0	0	0	0	110.8	E237 K265 L267	E237-V239 PolarHBondContact O-N 3.06Å; V239-K265 HydrophobicContact CB-CB 4.23Å; V239-K265 HydrophobicContact CB-CD 3.85Å; V239-K265 HydrophobicContact CB-CG 3.97Å; V239-K265 WeakPolarHBondContact CB-O 3.34Å; V239-K265 HydrophobicContact CG1-CD 3.76Å; V239-K265 HydrophobicContact CG1-CG 4.44Å; V239-K265 HydrophobicContact CG2-CD 4.35Å; V239-K265 HydrophobicContact CG2-CG 4.33Å; V239-K265 PolarHBondContact N-O 3.33Å; V239-L267 HydrophobicContact CG2-CB 3.64Å
240	V	95.8	Very high	94.6	Very high	59 Å²	59	57.9 Å²	57.9	36%	0.358	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.3	175.8	178.5	0	0	0	0	107.8	E242 S264 K265	V240-E242 HydrophobicContact CG1-CG 4.12Å; V240-S264 CarbonylContact O-C 3.53Å; V240-S264 WeakPolarHBondContact O-CA 3.44Å; V240-S264 VanDerWaalsContact O-CB 3.23Å; V240-S264 WeakPolarHBondContact O-CB 3.48Å; V240-K265 HydrophobicContact CB-CB 4.07Å; V240-K265 HydrophobicContact CG2-CB 4.42Å; V240-K265 PolarHBondContact N-O 3.38Å; V240-K265 VanDerWaalsContact N-O 3.15Å; V240-K265 PolarHBondContact O-N 2.91Å
241	N	96.4	Very high	94	Very high	11 Å²	11	66.1 Å²	66.1	6%	0.059	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	91.1	176	-171.6	27	0	0	0	110.1	D224 E238 S264	D224-N241 PolarHBondContact O-ND2 3.02Å; E238-N241 HydrophobicContact CG-CB 3.9Å; E238-N241 WeakPolarHBondContact OE1-CB 3.33Å; N241-S264 PolarHBondContact OD1-OG 3.01Å
242	E	95.3	Very high	93.3	Very high	89 Å²	89	75.9 Å²	75.9	42%	0.416	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	142.7	-166.8	-62.9	-177.1	168.8	0	0	112.7	V240 Q263	V240-E242 HydrophobicContact CG1-CG 4.12Å; E242-Q263 PolarHBondContact N-O 3.07Å; E242-Q263 VanDerWaalsContact N-O 3.08Å; E242-Q263 PolarHBondContact O-N 2.84Å
243	Y	95.6	Very high	92.5	Very high	5 Å²	5	79.1 Å²	79.1	2%	0.02	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.8	169.2	-65.6	-81.3	0	0	0	110.7	L9 A11 L192 T223 D224 V260 F261 L262	L9-Y243 WeakPolarHBondContact O-CD2 3.49Å; A11-Y243 HydrophobicContact CB-CE1 4.48Å; A11-Y243 HydrophobicContact CB-CE2 3.99Å; L192-Y243 HydrophobicContact CB-CE1 4.29Å; T223-Y243 VanDerWaalsContact CA-OH 3.24Å; T223-Y243 WeakPolarHBondContact CA-OH 3.24Å; D224-Y243 HydrophobicContact CB-CE2 4.07Å; D224-Y243 PolarHBondContact N-OH 3.49Å; D224-Y243 VanDerWaalsContact N-OH 3.17Å; D224-Y243 WeakPolarHBondContact OD1-CE2 3.22Å; D224-Y243 PolarHBondContact OD1-OH 2.8Å; Y243-V260 HydrophobicContact CD1-CG1 3.75Å; Y243-V260 HydrophobicContact CE1-CG1 4.5Å; Y243-V260 HydrophobicContact CG-CG1 4.49Å; Y243-F261 CarbonylContact C-O 3.54Å; Y243-F261 VanDerWaalsContact CA-O 3.3Å; Y243-F261 WeakPolarHBondContact CA-O 3.27Å; Y243-L262 HydrophobicContact CD1-CD1 4.11Å; Y243-L262 HydrophobicContact CE1-CD1 4.19Å; Y243-L262 HydrophobicContact CG-CD1 4.3Å
244	V	93.8	Very high	91.8	Very high	24 Å²	24	77 Å²	77	15%	0.145	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.8	174	179.7	0	0	0	0	109.2	R246 F261 Q263	V244-R246 HydrophobicContact CG1-CG 4.17Å; V244-F261 PolarHBondContact N-O 3.32Å; V244-F261 PolarHBondContact O-N 3.42Å; V244-Q263 HydrophobicContact CG2-CB 3.56Å; V244-Q263 HydrophobicContact CG2-CG 4.41Å
245	F	93.3	Very high	91.3	Very high	83 Å²	83	79.3 Å²	79.3	36%	0.364	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130	176.8	-56.7	-82.2	0	0	0	110.4	L9 R12 R259 V260	L9-F245 HydrophobicContact CB-CE2 4.09Å; L9-F245 HydrophobicContact CD1-CD2 4.4Å; L9-F245 HydrophobicContact CD1-CE2 4.22Å; R12-F245 HydrophobicContact CB-CE1 3.83Å; R12-F245 HydrophobicContact CG-CE1 4.35Å; F245-R259 WeakPolarHBondContact CA-O 3.4Å; F245-V260 HydrophobicContact CD1-CG1 4.38Å; F245-V260 HydrophobicContact CD1-CG2 4.09Å; F245-V260 HydrophobicContact CE1-CG1 4.02Å; F245-V260 HydrophobicContact CE1-CG2 4.12Å
246	R	91.1	Very high	90.8	Very high	114 Å²	114	81.7 Å²	81.7	43%	0.43	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	170.8	175.3	-62	-66.1	177.6	154.9	6.4	109.5	E66 V244 R259 F261	E66-R246 VanDerWaalsContact CD-NH2 3.26Å; E66-R246 IonicContact OE1-CZ 3.26Å; E66-R246 IonicContact OE1-NH2 3.62Å; E66-R246 PolarHBondContact OE1-NH2 2.84Å; E66-R246 IonicContact OE2-NH2 3.54Å; E66-R246 PolarHBondContact OE2-NH2 3.25Å; E66-R246 VanDerWaalsContact OE2-NH2 3.15Å; V244-R246 HydrophobicContact CG1-CG 4.17Å; R246-R259 HydrophobicContact CB-CB 4.33Å; R246-R259 PolarHBondContact N-O 2.89Å; R246-R259 PolarHBondContact O-N 3.13Å; R246-F261 HydrophobicContact CB-CE2 4.22Å; R246-F261 HydrophobicContact CG-CD2 4.29Å; R246-F261 HydrophobicContact CG-CE2 4.25Å
247	E	90.5	Very high	90.4	Very high	144 Å²	144	82.1 Å²	82.1	67%	0.673	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.6	169.7	-65.7	-176.4	134.8	0	0	109.3	V257	E247-V257 WeakPolarHBondContact CA-O 3.48Å
248	T	86.6	Confident	90.1	Very high	59 Å²	59	79.5 Å²	79.5	36%	0.362	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	117.4	167.5	-64.9	0	0	0	0	108.8	C256 V257 R259	T248-C256 WeakPolarHBondContact O-CA 3.13Å; T248-V257 PolarHBondContact N-O 3.26Å; T248-V257 PolarHBondContact O-N 3.28Å; T248-R259 WeakPolarHBondContact OG1-CG 3.36Å
249	V	87.2	Confident	90	Very high	84 Å²	84	78.5 Å²	78.5	51%	0.509	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	113.4	177	-173.2	0	0	0	0	109.5	K251 L255 C256	V249-K251 HydrophobicContact CG1-CG 3.98Å; V249-L255 CarbonylContact C-O 3.47Å; V249-L255 VanDerWaalsContact CA-O 3.27Å; V249-L255 WeakPolarHBondContact CA-O 3.49Å; V249-C256 HydrophobicContact CG2-CB 4.46Å
250	N	82.5	Confident	90	Very high	51 Å²	51	75.1 Å²	75.1	27%	0.273	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	94.7	165.3	-172.2	-13.5	0	0	0	109.2	K252 E253 G254 L255	N250-K252 PolarHBondContact O-N 3.33Å; N250-K252 WeakPolarHBondContact OD1-CB 3.32Å; N250-K252 PolarHBondContact OD1-N 3.17Å; N250-K252 VanDerWaalsContact OD1-N 3.11Å; N250-E253 HydrophobicContact CB-CB 4.25Å; N250-E253 WeakPolarHBondContact ND2-CG 3.32Å; N250-E253 PolarHBondContact ND2-OE2 3.17Å; N250-E253 CarbonylContact O-C 3.59Å; N250-E253 PolarHBondContact O-N 3.06Å; N250-E253 PolarHBondContact OD1-N 3.22Å; N250-G254 PolarHBondContact O-N 3.04Å; N250-L255 HydrophobicContact CB-CB 4.1Å; N250-L255 PolarHBondContact N-O 2.83Å; N250-L255 PolarHBondContact O-N 3.43Å
251	K	85.1	Confident	90.1	Very high	192 Å²	192	73.2 Å²	73.2	84%	0.835	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.4	-179.9	-65.4	-174.7	178.9	-179.1	0	113.1	V249 E253 G254	V249-K251 HydrophobicContact CG1-CG 3.98Å; K251-E253 VanDerWaalsContact C-N 3.34Å; K251-G254 PolarHBondContact O-N 3.37Å
252	K	84.1	Confident	90.1	Very high	204 Å²	204	72.7 Å²	72.7	89%	0.887	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-34.3	179.7	-66.2	-175	178.5	-177.4	0	112	N250	N250-K252 PolarHBondContact O-N 3.33Å; N250-K252 WeakPolarHBondContact OD1-CB 3.32Å; N250-K252 PolarHBondContact OD1-N 3.17Å; N250-K252 VanDerWaalsContact OD1-N 3.11Å
253	E	82.3	Confident	90.2	Very high	143 Å²	143	69.7 Å²	69.7	67%	0.668	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	1.4	179.9	-66.2	177.3	171.5	0	0	112.8	N250 K251 L255	N250-E253 HydrophobicContact CB-CB 4.25Å; N250-E253 WeakPolarHBondContact ND2-CG 3.32Å; N250-E253 PolarHBondContact ND2-OE2 3.17Å; N250-E253 CarbonylContact O-C 3.59Å; N250-E253 PolarHBondContact O-N 3.06Å; N250-E253 PolarHBondContact OD1-N 3.22Å; K251-E253 VanDerWaalsContact C-N 3.34Å; E253-L255 HydrophobicContact CB-CB 4.47Å; E253-L255 PolarHBondContact O-N 2.81Å
254	G	83.3	Confident	90.3	Very high	72 Å²	72	69.5 Å²	69.5	74%	0.742	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	24.6	-175.6	0	0	0	0	0	113.8	N250 K251	N250-G254 PolarHBondContact O-N 3.04Å; K251-G254 PolarHBondContact O-N 3.37Å
255	L	86.1	Confident	90.4	Very high	63 Å²	63	70.3 Å²	70.3	33%	0.33	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.4	-174.4	-169	70.4	0	0	0	110.7	V249 N250 E253 V257	V249-L255 CarbonylContact C-O 3.47Å; V249-L255 VanDerWaalsContact CA-O 3.27Å; V249-L255 WeakPolarHBondContact CA-O 3.49Å; N250-L255 HydrophobicContact CB-CB 4.1Å; N250-L255 PolarHBondContact N-O 2.83Å; N250-L255 PolarHBondContact O-N 3.43Å; E253-L255 HydrophobicContact CB-CB 4.47Å; E253-L255 PolarHBondContact O-N 2.81Å; L255-V257 HydrophobicContact CD1-CG1 3.49Å; L255-V257 VanDerWaalsContact CD1-CG1 3.49Å; L255-V257 HydrophobicContact CD2-CG1 4.39Å; L255-V257 HydrophobicContact CD2-CG2 4.14Å; L255-V257 HydrophobicContact CG-CG1 3.78Å; L255-V257 HydrophobicContact CG-CG2 4.19Å
256	C	88.8	Confident	90.7	Very high	74 Å²	74	66.4 Å²	66.4	50%	0.5	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	112.1	163.8	-175.2	0	0	0	0	107.4	T248 V249	T248-C256 WeakPolarHBondContact O-CA 3.13Å; V249-C256 HydrophobicContact CG2-CB 4.46Å
257	V	89.6	Confident	91	Very high	14 Å²	14	62.9 Å²	62.9	9%	0.085	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.2	-173.2	-67.9	0	0	0	0	112.4	H195 E247 T248 L255	H195-V257 HydrophobicContact CB-CB 4.29Å; H195-V257 WeakPolarHBondContact NE2-CG1 3.01Å; E247-V257 WeakPolarHBondContact CA-O 3.48Å; T248-V257 PolarHBondContact N-O 3.26Å; T248-V257 PolarHBondContact O-N 3.28Å; L255-V257 HydrophobicContact CD1-CG1 3.49Å; L255-V257 VanDerWaalsContact CD1-CG1 3.49Å; L255-V257 HydrophobicContact CD2-CG1 4.39Å; L255-V257 HydrophobicContact CD2-CG2 4.14Å; L255-V257 HydrophobicContact CG-CG1 3.78Å; L255-V257 HydrophobicContact CG-CG2 4.19Å
258	P	91.9	Very high	91.4	Very high	47 Å²	47	56.8 Å²	56.8	31%	0.305	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.6	176.5	28.5	-34	0	0	0	109.7	H195	H195-P258 WeakPolarHBondContact CB-O 3.36Å
259	R	94.7	Very high	91.9	Very high	45 Å²	45	54.8 Å²	54.8	17%	0.17	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	136.1	172.6	-58.6	-54.9	-52.7	-73.7	-3.3	109.6	D194 F245 R246 T248 F261	D194-R259 IonicContact OD1-CZ 2.83Å; D194-R259 IonicContact OD1-NE 3.6Å; D194-R259 PolarHBondContact OD1-NE 2.8Å; D194-R259 IonicContact OD1-NH2 3.46Å; D194-R259 PolarHBondContact OD1-NH2 3Å; D194-R259 WeakPolarHBondContact OD2-CA 3.34Å; D194-R259 IonicContact OD2-CZ 3.68Å; D194-R259 IonicContact OD2-NE 3.66Å; D194-R259 PolarHBondContact OD2-NE 2.72Å; D194-R259 IonicContact OD2-NH2 2.63Å; F245-R259 WeakPolarHBondContact CA-O 3.4Å; R246-R259 HydrophobicContact CB-CB 4.33Å; R246-R259 PolarHBondContact N-O 2.89Å; R246-R259 PolarHBondContact O-N 3.13Å; T248-R259 WeakPolarHBondContact OG1-CG 3.36Å; R259-F261 HydrophobicContact CB-CD2 4.44Å; R259-F261 HydrophobicContact CB-CE2 3.62Å; R259-F261 HydrophobicContact CB-CZ 3.75Å; R259-F261 HydrophobicContact CG-CE2 4.5Å; R259-F261 HydrophobicContact CG-CZ 4.32Å
260	V	96.6	Very high	92.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.5	177.7	-168.9	0	0	0	0	107.5	R12 G191 D194 Y243 F245	R12-V260 HydrophobicContact CB-CG2 4.01Å; R12-V260 HydrophobicContact CG-CG2 4.41Å; G191-V260 PolarHBondContact N-O 2.88Å; D194-V260 HydrophobicContact CB-CB 4.14Å; D194-V260 PolarHBondContact OD2-N 2.84Å; Y243-V260 HydrophobicContact CD1-CG1 3.75Å; Y243-V260 HydrophobicContact CE1-CG1 4.5Å; Y243-V260 HydrophobicContact CG-CG1 4.49Å; F245-V260 HydrophobicContact CD1-CG1 4.38Å; F245-V260 HydrophobicContact CD1-CG2 4.09Å; F245-V260 HydrophobicContact CE1-CG1 4.02Å; F245-V260 HydrophobicContact CE1-CG2 4.12Å
261	F	96.8	Very high	91.9	Very high	19 Å²	19	63.7 Å²	63.7	8%	0.083	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	150.5	173.7	-55.8	-67.3	0	0	0	108.9	F158 R188 D189 Y190 Y243 V244 R246 R259	F158-F261 AromaticContact CE1-CD1 3.62Å; F158-F261 HydrophobicContact CE1-CD1 3.62Å; F158-F261 AromaticContact CE1-CE1 3.56Å; F158-F261 HydrophobicContact CE1-CE1 3.56Å; F158-F261 AromaticContact CZ-CD1 3.61Å; F158-F261 HydrophobicContact CZ-CD1 3.61Å; F158-F261 AromaticContact CZ-CE1 3.44Å; F158-F261 HydrophobicContact CZ-CE1 3.44Å; F158-F261 VanDerWaalsContact CZ-CE1 3.44Å; F158-F261 HydrophobicContact CZ-CZ 4.27Å; R188-F261 HydrophobicContact CG-CB 4.25Å; D189-F261 CarbonylContact O-C 3.57Å; D189-F261 VanDerWaalsContact O-CA 3.23Å; D189-F261 WeakPolarHBondContact O-CA 3.18Å; Y190-F261 HydrophobicContact CD1-CE1 4.49Å; Y243-F261 CarbonylContact C-O 3.54Å; Y243-F261 VanDerWaalsContact CA-O 3.3Å; Y243-F261 WeakPolarHBondContact CA-O 3.27Å; V244-F261 PolarHBondContact N-O 3.32Å; V244-F261 PolarHBondContact O-N 3.42Å; R246-F261 HydrophobicContact CB-CE2 4.22Å; R246-F261 HydrophobicContact CG-CD2 4.29Å; R246-F261 HydrophobicContact CG-CE2 4.25Å; R259-F261 HydrophobicContact CB-CD2 4.44Å; R259-F261 HydrophobicContact CB-CE2 3.62Å; R259-F261 HydrophobicContact CB-CZ 3.75Å; R259-F261 HydrophobicContact CG-CE2 4.5Å; R259-F261 HydrophobicContact CG-CZ 4.32Å
262	L	96.8	Very high	90.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.8	163.3	-168.2	62.8	0	0	0	106.7	F187 R188 D189 F222 D224 L227 Y243	F187-L262 HydrophobicContact CE1-CB 4.23Å; F187-L262 HydrophobicContact CE1-CD2 4.46Å; F187-L262 HydrophobicContact CE1-CG 4.47Å; R188-L262 VanDerWaalsContact CA-O 3.27Å; R188-L262 WeakPolarHBondContact CA-O 3.42Å; D189-L262 PolarHBondContact N-O 3.47Å; D189-L262 VanDerWaalsContact N-O 3.13Å; D189-L262 PolarHBondContact O-N 3.1Å; F222-L262 HydrophobicContact CB-CD2 3.72Å; D224-L262 HydrophobicContact CB-CD1 3.86Å; D224-L262 HydrophobicContact CB-CD2 4.48Å; L227-L262 HydrophobicContact CB-CD2 3.71Å; L227-L262 HydrophobicContact CD2-CD2 3.38Å; L227-L262 HydrophobicContact CD2-CG 3.96Å; L227-L262 HydrophobicContact CG-CD2 4.15Å; Y243-L262 HydrophobicContact CD1-CD1 4.11Å; Y243-L262 HydrophobicContact CE1-CD1 4.19Å; Y243-L262 HydrophobicContact CG-CD1 4.3Å
263	Q	97.1	Very high	89.2	Confident	26 Å²	26	54.9 Å²	54.9	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	119.5	179.5	-177.1	166.3	-67.7	0	0	108.2	E66 F67 F187 E242 V244	E66-Q263 PolarHBondContact OE2-NE2 3.11Å; E66-Q263 PolarHBondContact OE2-OE1 3.37Å; F67-Q263 HydrophobicContact CE1-CG 3.76Å; F67-Q263 HydrophobicContact CZ-CG 3.85Å; F187-Q263 WeakPolarHBondContact O-CA 3.27Å; E242-Q263 PolarHBondContact N-O 3.07Å; E242-Q263 VanDerWaalsContact N-O 3.08Å; E242-Q263 PolarHBondContact O-N 2.84Å; V244-Q263 HydrophobicContact CG2-CB 3.56Å; V244-Q263 HydrophobicContact CG2-CG 4.41Å
264	S	97.4	Very high	87.5	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.014	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155	-165.6	-42.1	0	0	0	0	111.7	F187 L227 V240 N241	F187-S264 PolarHBondContact N-O 2.63Å; F187-S264 PolarHBondContact O-N 2.78Å; L227-S264 WeakPolarHBondContact CD2-OG 3.27Å; V240-S264 CarbonylContact O-C 3.53Å; V240-S264 WeakPolarHBondContact O-CA 3.44Å; V240-S264 VanDerWaalsContact O-CB 3.23Å; V240-S264 WeakPolarHBondContact O-CB 3.48Å; N241-S264 PolarHBondContact OD1-OG 3.01Å
265	K	97.6	Very high	85.6	Confident	41 Å²	41	54.8 Å²	54.8	18%	0.178	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.2	174.4	177	-172.2	178.7	172.2	0	108.1	E69 S184 V185 L186 V239 V240	E69-K265 WeakPolarHBondContact OE1-CD 3.08Å; E69-K265 WeakPolarHBondContact OE1-CE 3.25Å; E69-K265 IonicContact OE1-NZ 3.92Å; E69-K265 PolarHBondContact OE1-NZ 2.91Å; S184-K265 WeakPolarHBondContact OG-CE 3.47Å; V185-K265 WeakPolarHBondContact O-CA 3.11Å; L186-K265 HydrophobicContact CD2-CG 4.46Å; V239-K265 HydrophobicContact CB-CB 4.23Å; V239-K265 HydrophobicContact CB-CD 3.85Å; V239-K265 HydrophobicContact CB-CG 3.97Å; V239-K265 WeakPolarHBondContact CB-O 3.34Å; V239-K265 HydrophobicContact CG1-CD 3.76Å; V239-K265 HydrophobicContact CG1-CG 4.44Å; V239-K265 HydrophobicContact CG2-CD 4.35Å; V239-K265 HydrophobicContact CG2-CG 4.33Å; V239-K265 PolarHBondContact N-O 3.33Å; V240-K265 HydrophobicContact CB-CB 4.07Å; V240-K265 HydrophobicContact CG2-CB 4.42Å; V240-K265 PolarHBondContact N-O 3.38Å; V240-K265 VanDerWaalsContact N-O 3.15Å; V240-K265 PolarHBondContact O-N 2.91Å
266	F	98.4	Very high	83.4	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.2	176.3	-65.6	-83.9	0	0	0	109.9	S184 V185 L227 F231 Y236 E237 E238	S184-F266 CarbonylContact C-O 3.54Å; S184-F266 VanDerWaalsContact CA-O 3.22Å; S184-F266 WeakPolarHBondContact CA-O 3.37Å; V185-F266 PolarHBondContact N-O 3.04Å; V185-F266 PolarHBondContact O-N 2.79Å; L227-F266 HydrophobicContact CD2-CE2 3.77Å; L227-F266 HydrophobicContact CD2-CZ 4.06Å; L227-F266 HydrophobicContact CG-CE2 3.99Å; L227-F266 HydrophobicContact CG-CZ 4.02Å; F231-F266 HydrophobicContact CB-CB 4.43Å; F231-F266 HydrophobicContact CB-CD1 3.41Å; F231-F266 VanDerWaalsContact CB-CD1 3.41Å; F231-F266 HydrophobicContact CB-CD2 4.28Å; F231-F266 HydrophobicContact CB-CE1 3.59Å; F231-F266 HydrophobicContact CB-CE2 4.41Å; F231-F266 HydrophobicContact CB-CG 3.79Å; F231-F266 HydrophobicContact CB-CZ 4.1Å; F231-F266 HydrophobicContact CD1-CB 3.34Å; F231-F266 AromaticContact CD1-CD1 3.9Å; F231-F266 HydrophobicContact CD1-CD1 3.9Å; F231-F266 AromaticContact CD1-CD2 3.57Å; F231-F266 HydrophobicContact CD1-CD2 3.57Å; F231-F266 HydrophobicContact CD1-CE2 4.31Å; F231-F266 AromaticContact CD1-CG 3.32Å; F231-F266 HydrophobicContact CD1-CG 3.32Å; F231-F266 HydrophobicContact CD2-CD1 4.33Å; F231-F266 AromaticContact CD2-CD2 3.67Å; F231-F266 HydrophobicContact CD2-CD2 3.67Å; F231-F266 HydrophobicContact CD2-CE1 4.26Å; F231-F266 AromaticContact CD2-CE2 3.57Å; F231-F266 HydrophobicContact CD2-CE2 3.57Å; F231-F266 HydrophobicContact CD2-CG 4.05Å; F231-F266 AromaticContact CD2-CZ 3.89Å; F231-F266 HydrophobicContact CD2-CZ 3.89Å; F231-F266 HydrophobicContact CE1-CB 3.69Å; F231-F266 AromaticContact CE1-CD2 3.64Å; F231-F266 HydrophobicContact CE1-CD2 3.64Å; F231-F266 HydrophobicContact CE1-CE2 4.48Å; F231-F266 AromaticContact CE1-CG 3.8Å; F231-F266 HydrophobicContact CE1-CG 3.8Å; F231-F266 AromaticContact CE2-CD2 3.76Å; F231-F266 HydrophobicContact CE2-CD2 3.76Å; F231-F266 AromaticContact CE2-CE2 3.79Å; F231-F266 HydrophobicContact CE2-CE2 3.79Å; F231-F266 HydrophobicContact CE2-CG 4.47Å; F231-F266 HydrophobicContact CG-CB 4.01Å; F231-F266 AromaticContact CG-CD1 3.63Å; F231-F266 HydrophobicContact CG-CD1 3.63Å; F231-F266 AromaticContact CG-CD2 3.56Å; F231-F266 HydrophobicContact CG-CD2 3.56Å; F231-F266 AromaticContact CG-CE1 3.93Å; F231-F266 HydrophobicContact CG-CE1 3.93Å; F231-F266 AromaticContact CG-CE2 3.84Å; F231-F266 HydrophobicContact CG-CE2 3.84Å; F231-F266 AromaticContact CG-CG 3.44Å; F231-F266 HydrophobicContact CG-CG 3.44Å; F231-F266 VanDerWaalsContact CG-CG 3.44Å; F231-F266 HydrophobicContact CG-CZ 4.03Å; F231-F266 AromaticContact CZ-CD2 3.73Å; F231-F266 HydrophobicContact CZ-CD2 3.73Å; F231-F266 HydrophobicContact CZ-CE2 4.23Å; F231-F266 HydrophobicContact CZ-CG 4.34Å; Y236-F266 HydrophobicContact CD1-CB 4.34Å; Y236-F266 HydrophobicContact CG-CB 4.44Å; E237-F266 CarbonylContact O-C 3.54Å; E237-F266 VanDerWaalsContact O-CA 3.32Å; E237-F266 WeakPolarHBondContact O-CA 3.47Å; E238-F266 HydrophobicContact CB-CD1 4.18Å; E238-F266 HydrophobicContact CB-CE1 3.89Å; E238-F266 HydrophobicContact CG-CD1 4.48Å; E238-F266 HydrophobicContact CG-CE1 3.86Å
267	L	97.8	Very high	81.1	Confident	41 Å²	41	61.8 Å²	61.8	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.2	-175.3	-178.2	74.3	0	0	0	110	G182 Y236 E237 V239 P269	G182-L267 VanDerWaalsContact C-CD1 3.44Å; G182-L267 WeakPolarHBondContact O-CD1 3.28Å; Y236-L267 CarbonylContact C-O 3.56Å; Y236-L267 WeakPolarHBondContact CA-O 3.45Å; E237-L267 HydrophobicContact CB-CB 4.37Å; E237-L267 PolarHBondContact N-O 3.33Å; E237-L267 PolarHBondContact O-N 3.06Å; V239-L267 HydrophobicContact CG2-CB 3.64Å; L267-P269 WeakPolarHBondContact O-CD 3.46Å
268	K	98.1	Very high	78.7	Confident	15 Å²	15	68.5 Å²	68.5	7%	0.065	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-79.8	120.6	162.1	177.1	170.8	172.8	177.1	0	108.9	Y176 L179 G182 K183 Y236	Y176-K268 HydrophobicContact CD1-CD 4.24Å; Y176-K268 HydrophobicContact CD2-CD 4.2Å; Y176-K268 HydrophobicContact CD2-CG 4.29Å; Y176-K268 HydrophobicContact CE1-CD 4.04Å; Y176-K268 HydrophobicContact CE1-CG 4.39Å; Y176-K268 HydrophobicContact CE2-CB 4.43Å; Y176-K268 HydrophobicContact CE2-CD 4.01Å; Y176-K268 HydrophobicContact CE2-CG 3.72Å; Y176-K268 HydrophobicContact CG-CD 4.31Å; Y176-K268 PolarHBondContact O-NZ 2.88Å; L179-K268 HydrophobicContact CB-CD 4.25Å; L179-K268 HydrophobicContact CD2-CB 3.83Å; L179-K268 HydrophobicContact CG-CB 4.29Å; L179-K268 HydrophobicContact CG-CD 4.37Å; L179-K268 WeakPolarHBondContact O-CD 3.31Å; L179-K268 PolarHBondContact O-NZ 3.01Å; G182-K268 WeakPolarHBondContact CA-O 3.39Å; G182-K268 PolarHBondContact N-O 2.76Å; K183-K268 PolarHBondContact O-N 3.45Å; Y236-K268 HydrophobicContact CD1-CB 4.44Å; Y236-K268 HydrophobicContact CE1-CB 4.37Å
269	P	97.1	Very high	76.1	Confident	18 Å²	18	69.3 Å²	69.3	12%	0.117	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-59.5	155.2	-177.7	-24.1	33.5	0	0	0	113.3	G235 E237 L267 K271	G235-P269 WeakPolarHBondContact O-CD 3.16Å; E237-P269 HydrophobicContact CG-CG 3.92Å; E237-P269 WeakPolarHBondContact OE1-CG 3.41Å; L267-P269 WeakPolarHBondContact O-CD 3.46Å; P269-K271 PolarHBondContact O-N 2.96Å
270	L	91.5	Very high	73.6	Confident	146 Å²	146	74.8 Å²	74.8	76%	0.764	42%	0.423	S	S	*	.	S	Bend	trans	-67.8	-22.9	176.2	-74.4	172	0	0	0	113.4
271	K	78.2	Confident	71	Confident	176 Å²	176	82.2 Å²	82.2	77%	0.765	46%	0.462	S	S	*	.	S	Bend	trans	-114.3	132.4	-179.7	-64.4	-179.2	-178.6	178.5	0	108.5	P269	P269-K271 PolarHBondContact O-N 2.96Å
272	N	59.1	Low	68.5	Low	118 Å²	118	89.4 Å²	89.4	63%	0.631	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-56.3	132.7	164.4	-73.6	-12.9	0	0	0	107.7	S274	N272-S274 PolarHBondContact O-N 3.13Å; N272-S274 VanDerWaalsContact O-N 3.11Å
273	P	54.3	Low	66	Low	93 Å²	93	99.1 Å²	99.1	60%	0.604	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-53.1	125.9	173	14.2	-21.3	0	0	0	108
274	S	45.4	Very low	63.6	Low	101 Å²	101	106.9 Å²	106.9	71%	0.706	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-56.4	135.2	174.9	-56.3	0	0	0	0	107.8	N272 V276	N272-S274 PolarHBondContact O-N 3.13Å; N272-S274 VanDerWaalsContact O-N 3.11Å; S274-V276 PolarHBondContact O-N 2.85Å; S274-V276 VanDerWaalsContact O-N 3.09Å
275	P	43.5	Very low	62	Low	112 Å²	112	112.1 Å²	112.1	73%	0.727	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-56.2	123.8	178.4	21.3	-30.2	0	0	0	108.4	I277	P275-I277 VanDerWaalsContact C-N 3.34Å; P275-I277 PolarHBondContact O-N 3.48Å
276	V	40.1	Very low	60.1	Low	130 Å²	130	115.8 Å²	115.8	79%	0.788	65%	0.648	S	S	*	*			trans	-65	99.6	172.5	179	0	0	0	0	106.4	S274 L278	S274-V276 PolarHBondContact O-N 2.85Å; S274-V276 VanDerWaalsContact O-N 3.09Å; V276-L278 PolarHBondContact O-N 2.78Å
277	I	41.1	Very low	57.9	Low	153 Å²	153	122.3 Å²	122.3	79%	0.785	68%	0.684	S	S	*	*			trans	-68	103.9	167.7	-63.2	169.3	0	0	0	105.5	P275 G279	P275-I277 VanDerWaalsContact C-N 3.34Å; P275-I277 PolarHBondContact O-N 3.48Å; I277-G279 VanDerWaalsContact C-N 3.34Å; I277-G279 PolarHBondContact O-N 3.27Å
278	L	39.9	Very low	55.6	Low	156 Å²	156	127.1 Å²	127.1	82%	0.817	71%	0.711	S	S	*	*			trans	-61.5	100.9	165.6	-77.3	162.5	0	0	0	107.1	V276 L280	V276-L278 PolarHBondContact O-N 2.78Å; L278-L280 PolarHBondContact O-N 3.2Å
279	G	37.3	Very low	53	Low	64 Å²	64	134.1 Å²	134.1	66%	0.66	75%	0.752	S	S	*	*			trans	-59.4	108.5	174.2	0	0	0	0	0	109.7	I277 D281	I277-G279 VanDerWaalsContact C-N 3.34Å; I277-G279 PolarHBondContact O-N 3.27Å; G279-D281 VanDerWaalsContact C-N 3.29Å; G279-D281 PolarHBondContact O-N 3.47Å; G279-D281 VanDerWaalsContact O-N 3.11Å
280	L	42.1	Very low	50	Low	159 Å²	159	141.8 Å²	141.8	83%	0.832	79%	0.794	S	S	*	*			trans	-72.9	90.2	159.6	-80.1	160.6	0	0	0	107.1	L278 H282	L278-L280 PolarHBondContact O-N 3.2Å; L280-H282 VanDerWaalsContact C-N 3.31Å; L280-H282 PolarHBondContact O-N 2.97Å
281	D	41.6	Very low	47	Very low	156 Å²	156	141.5 Å²	141.5	83%	0.834	80%	0.796	S	S	*	*			trans	-68.4	94.2	164	-87.1	-19.1	0	0	0	108.5	G279 K283	G279-D281 VanDerWaalsContact C-N 3.29Å; G279-D281 PolarHBondContact O-N 3.47Å; G279-D281 VanDerWaalsContact O-N 3.11Å; D281-K283 PolarHBondContact O-N 3.3Å; D281-K283 VanDerWaalsContact O-N 3.11Å
282	H	43.6	Very low	44.7	Very low	171 Å²	171	138.8 Å²	138.8	79%	0.792	80%	0.798	S	S	*	*			trans	-65.7	101.7	159	-91.7	-59.9	0	0	0	108.5	L280 S284	L280-H282 VanDerWaalsContact C-N 3.31Å; L280-H282 PolarHBondContact O-N 2.97Å; H282-S284 PolarHBondContact O-N 2.99Å
283	K	44.9	Very low	43.4	Very low	203 Å²	203	140.6 Å²	140.6	88%	0.883	81%	0.812	S	S	*	*			trans	-63	116.8	160.4	-74.8	-177.4	176.1	179.8	0	108.6	D281	D281-K283 PolarHBondContact O-N 3.3Å; D281-K283 VanDerWaalsContact O-N 3.11Å
284	S	47.6	Very low	42.5	Very low	189 Å²	189	144.9 Å²	144.9	100%	1.322	83%	0.831	S	S	*	*			trans	-91.2	0	153.7	-56.5	0	0	0	0	108.9	H282	H282-S284 PolarHBondContact O-N 2.99Å

Retrieved 284 of 284 residues in 2229.6 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).