A0A087YF90_POEFO Loading...

Endonuclease V

Endoribonuclease that specifically cleaves inosine-containing RNAs: cleaves RNA at the second phosphodiester bond 3' to inosine. Active against both single-stranded and double-stranded RNAs. Has strong preference for single-stranded RNAs (ssRNAs) toward double-stranded RNAs (dsRNAs). Cleaves mRNAs and tRNAs containing inosine. Also able to cleave structure-specific dsRNA substrates containing the specific sites 5'-IIUI-3' and 5'-UIUU-3'. Inosine is present in a number of RNAs following editing; the function of inosine-specific endoribonuclease is still unclear: it could either play a regulatory role in edited RNAs, or be involved in antiviral response by removing the hyperedited long viral dsRNA genome that has undergone A-to-I editing. Binds branched DNA structures.

AlphaFold DB , UniProt , Accession A0A087YF90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 255 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	35.9	Very low	60.8	Low	241 Å²	241	133.9 Å²	133.9	100%	1.187	74%	0.735	S	S	*	*				0	92.8	0	-72.4	170.7	107.4	0	0	107	Q3	M1-Q3 PolarHBondContact O-N 2.94Å
2	T	39.8	Very low	63.1	Low	145 Å²	145	126.1 Å²	126.1	89%	0.89	69%	0.691	S	S	*	*			trans	-65.8	113	174.2	-8.5	0	0	0	0	106.7	M4	T2-M4 PolarHBondContact O-N 2.93Å; T2-M4 VanDerWaalsContact O-N 3.14Å
3	Q	38.8	Very low	65.2	Low	188 Å²	188	119 Å²	119	88%	0.879	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-56	120.3	170.7	-83.3	179	-8	0	0	107.1	M1	M1-Q3 PolarHBondContact O-N 2.94Å
4	M	45.2	Very low	67.1	Low	173 Å²	173	119 Å²	119	85%	0.852	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-59.9	131.8	167.5	-66.4	-146.3	-53.5	0	0	107.2	T2 S6	T2-M4 PolarHBondContact O-N 2.93Å; T2-M4 VanDerWaalsContact O-N 3.14Å; M4-S6 PolarHBondContact O-N 3.26Å
5	P	58.2	Low	68.9	Low	119 Å²	119	118 Å²	118	77%	0.773	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-56.2	136.3	176.9	21.1	-29.4	0	0	0	108.8
6	S	61.9	Low	70.5	Confident	105 Å²	105	112.4 Å²	112.4	73%	0.734	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-55.5	139.1	174.8	44.3	0	0	0	0	109.2	M4	M4-S6 PolarHBondContact O-N 3.26Å
7	P	63.7	Low	71.8	Confident	111 Å²	111	110.4 Å²	110.4	72%	0.721	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-54.1	141.6	176.7	22.4	-31.4	0	0	0	109.3
8	P	70.4	Confident	73.2	Confident	36 Å²	36	108.8 Å²	108.8	23%	0.234	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-57.4	144.8	178.2	1.9	0.8	0	0	0	109.3	E10 L12 V13 P89 V91	P8-E10 PolarHBondContact O-N 2.87Å; P8-L12 HydrophobicContact CB-CD2 4.46Å; P8-V13 HydrophobicContact CB-CG2 4.38Å; P8-V13 HydrophobicContact CG-CG2 4.49Å; P8-P89 HydrophobicContact CB-CB 4.26Å; P8-P89 HydrophobicContact CB-CG 3.95Å; P8-P89 HydrophobicContact CG-CB 4.4Å; P8-P89 HydrophobicContact CG-CG 4.49Å; P8-V91 HydrophobicContact CB-CG2 4.12Å; P8-V91 HydrophobicContact CG-CG2 3.29Å
9	P	81.3	Confident	74.3	Confident	87 Å²	87	106.4 Å²	106.4	57%	0.565	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-53.1	130.8	176.1	-24.4	33.4	0	0	0	110.1	E11 L12 V13	P9-E11 PolarHBondContact O-N 3.43Å; P9-L12 HydrophobicContact CB-CB 4.39Å; P9-L12 VanDerWaalsContact O-CB 3.32Å; P9-L12 WeakPolarHBondContact O-CB 3.49Å; P9-L12 PolarHBondContact O-N 2.59Å; P9-V13 PolarHBondContact O-N 3.18Å
10	E	84.3	Confident	75.4	Confident	153 Å²	153	101.2 Å²	101.2	72%	0.715	54%	0.542	S	S	*	.	H	α-helix	trans	-53	-33.9	-179.8	-69.6	-176.1	176.8	0	0	112.3	P8 L12 V13 K14	P8-E10 PolarHBondContact O-N 2.87Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.34Å; E10-V13 PolarHBondContact O-N 3.42Å; E10-K14 PolarHBondContact O-N 3.43Å; E10-K14 VanDerWaalsContact O-N 3.08Å
11	E	88.8	Confident	76.3	Confident	115 Å²	115	103.6 Å²	103.6	54%	0.537	55%	0.548	S	S	.	.	H	α-helix	trans	-62.1	-39.4	176.5	-167.4	60.3	-161.5	0	0	112.6	P9 V13 K14 Q15	P9-E11 PolarHBondContact O-N 3.43Å; E11-V13 VanDerWaalsContact C-N 3.35Å; E11-V13 PolarHBondContact O-N 2.82Å; E11-K14 PolarHBondContact O-N 3.44Å; E11-Q15 VanDerWaalsContact O-CG 3.24Å; E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 3.13Å
12	L	89.4	Confident	79.3	Confident	40 Å²	40	97.6 Å²	97.6	21%	0.209	51%	0.512	C	S	.	.	H	α-helix	trans	-64.5	-41.6	176.9	180	64.3	0	0	0	111.1	P8 P9 E10 Q15 W16 P89	P8-L12 HydrophobicContact CB-CD2 4.46Å; P9-L12 HydrophobicContact CB-CB 4.39Å; P9-L12 VanDerWaalsContact O-CB 3.32Å; P9-L12 WeakPolarHBondContact O-CB 3.49Å; P9-L12 PolarHBondContact O-N 2.59Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.34Å; L12-Q15 WeakPolarHBondContact O-CB 3.39Å; L12-Q15 PolarHBondContact O-N 3.17Å; L12-W16 HydrophobicContact CD1-CD2 4.4Å; L12-W16 HydrophobicContact CD1-CZ2 4.1Å; L12-W16 HydrophobicContact CD2-CH2 4.18Å; L12-W16 HydrophobicContact CD2-CZ2 3.99Å; L12-W16 HydrophobicContact CG-CD2 4.24Å; L12-W16 HydrophobicContact CG-CZ2 4.11Å; L12-W16 PolarHBondContact O-N 2.65Å; L12-P89 HydrophobicContact CD2-CG 3.66Å
13	V	90	Very high	82	Confident	34 Å²	34	90.8 Å²	90.8	21%	0.206	47%	0.471	C	S	.	.	H	α-helix	trans	-63	-46.1	177.8	178.8	0	0	0	0	110.2	P8 P9 E10 E11 Q15 W16 E17 F94	P8-V13 HydrophobicContact CB-CG2 4.38Å; P8-V13 HydrophobicContact CG-CG2 4.49Å; P9-V13 PolarHBondContact O-N 3.18Å; E10-V13 PolarHBondContact O-N 3.42Å; E11-V13 VanDerWaalsContact C-N 3.35Å; E11-V13 PolarHBondContact O-N 2.82Å; V13-Q15 VanDerWaalsContact C-N 3.32Å; V13-Q15 PolarHBondContact O-N 3.21Å; V13-W16 PolarHBondContact O-N 3.12Å; V13-E17 HydrophobicContact CG1-CG 4.48Å; V13-E17 WeakPolarHBondContact O-CG 3.41Å; V13-E17 PolarHBondContact O-N 3.47Å; V13-F94 HydrophobicContact CG1-CE2 4.09Å; V13-F94 HydrophobicContact CG1-CZ 3.93Å
14	K	91.8	Very high	84.8	Confident	119 Å²	119	83.5 Å²	83.5	52%	0.517	44%	0.435	S	S	.	.	H	α-helix	trans	-60	-41.4	176.3	-71.8	176.3	-175.3	168.2	0	112.4	E10 E11 E17 S18	E10-K14 PolarHBondContact O-N 3.43Å; E10-K14 VanDerWaalsContact O-N 3.08Å; E11-K14 PolarHBondContact O-N 3.44Å; K14-E17 PolarHBondContact O-N 3.41Å; K14-S18 WeakPolarHBondContact O-CB 3.43Å; K14-S18 PolarHBondContact O-N 2.7Å
15	Q	93.4	Very high	87.4	Confident	104 Å²	104	82.3 Å²	82.3	49%	0.486	43%	0.427	S	S	.	.	H	α-helix	trans	-60.5	-47.2	175.3	-73.9	171	3.4	0	0	111.3	E11 L12 V13 E17 S18 E19	E11-Q15 VanDerWaalsContact O-CG 3.24Å; E11-Q15 WeakPolarHBondContact O-CG 3.47Å; E11-Q15 PolarHBondContact O-N 3.13Å; L12-Q15 WeakPolarHBondContact O-CB 3.39Å; L12-Q15 PolarHBondContact O-N 3.17Å; V13-Q15 VanDerWaalsContact C-N 3.32Å; V13-Q15 PolarHBondContact O-N 3.21Å; Q15-E17 PolarHBondContact O-N 3.13Å; Q15-S18 WeakPolarHBondContact O-CB 3.32Å; Q15-S18 PolarHBondContact O-N 3.2Å; Q15-E19 WeakPolarHBondContact O-CB 3.27Å; Q15-E19 PolarHBondContact O-N 2.81Å
16	W	94.6	Very high	89.3	Confident	29 Å²	29	80.8 Å²	80.8	11%	0.11	41%	0.41	C	S	.	.	H	α-helix	trans	-64.9	-37.2	177.3	-73.2	-7.2	0	0	0	113.1	L12 V13 E19 Q20 A88 P89 V91 F94 F97	L12-W16 HydrophobicContact CD1-CD2 4.4Å; L12-W16 HydrophobicContact CD1-CZ2 4.1Å; L12-W16 HydrophobicContact CD2-CH2 4.18Å; L12-W16 HydrophobicContact CD2-CZ2 3.99Å; L12-W16 HydrophobicContact CG-CD2 4.24Å; L12-W16 HydrophobicContact CG-CZ2 4.11Å; L12-W16 PolarHBondContact O-N 2.65Å; V13-W16 PolarHBondContact O-N 3.12Å; W16-E19 PolarHBondContact O-N 3.06Å; W16-Q20 WeakPolarHBondContact O-CG 3.31Å; W16-Q20 PolarHBondContact O-N 3.13Å; W16-A88 HydrophobicContact CH2-CB 4.19Å; W16-A88 HydrophobicContact CZ2-CB 4.11Å; W16-P89 HydrophobicContact CH2-CG 3.85Å; W16-P89 HydrophobicContact CZ3-CG 4.46Å; W16-V91 HydrophobicContact CZ3-CB 4.21Å; W16-V91 HydrophobicContact CZ3-CG2 3.84Å; W16-F94 HydrophobicContact CB-CD1 3.55Å; W16-F94 HydrophobicContact CB-CE1 3.58Å; W16-F94 HydrophobicContact CD2-CD1 4.36Å; W16-F94 HydrophobicContact CE3-CB 3.58Å; W16-F94 AromaticContact CE3-CD1 3.85Å; W16-F94 HydrophobicContact CE3-CD1 3.85Å; W16-F94 HydrophobicContact CE3-CD2 4.5Å; W16-F94 AromaticContact CE3-CG 3.74Å; W16-F94 HydrophobicContact CE3-CG 3.74Å; W16-F94 HydrophobicContact CG-CD1 4.32Å; W16-F94 HydrophobicContact CZ3-CB 3.83Å; W16-F94 HydrophobicContact CZ3-CG 4.38Å; W16-F97 HydrophobicContact CB-CD2 4.12Å; W16-F97 HydrophobicContact CB-CE1 4.39Å; W16-F97 HydrophobicContact CB-CE2 3.65Å; W16-F97 HydrophobicContact CB-CZ 3.8Å; W16-F97 AromaticContact CD1-CD1 3.69Å; W16-F97 AromaticContact CD1-CE1 3.68Å; W16-F97 AromaticContact CD1-CG 4Å; W16-F97 AromaticContact CD1-CZ 3.99Å; W16-F97 HydrophobicContact CD2-CB 4.27Å; W16-F97 HydrophobicContact CD2-CD1 4.39Å; W16-F97 AromaticContact CD2-CD2 3.92Å; W16-F97 HydrophobicContact CD2-CD2 3.92Å; W16-F97 HydrophobicContact CD2-CE2 4.36Å; W16-F97 AromaticContact CD2-CG 3.93Å; W16-F97 HydrophobicContact CD2-CG 3.93Å; W16-F97 AromaticContact CE2-CG 3.89Å; W16-F97 HydrophobicContact CE3-CD2 4.27Å; W16-F97 HydrophobicContact CG-CD1 4.1Å; W16-F97 AromaticContact CG-CD2 3.87Å; W16-F97 HydrophobicContact CG-CD2 3.87Å; W16-F97 HydrophobicContact CG-CE1 4.07Å; W16-F97 AromaticContact CG-CE2 3.85Å; W16-F97 HydrophobicContact CG-CE2 3.85Å; W16-F97 AromaticContact CG-CG 4Å; W16-F97 HydrophobicContact CG-CG 4Å; W16-F97 AromaticContact CG-CZ 3.95Å; W16-F97 HydrophobicContact CG-CZ 3.95Å; W16-F97 HydrophobicContact CH2-CB 4.34Å; W16-F97 HydrophobicContact CZ2-CB 3.97Å; W16-F97 HydrophobicContact CZ2-CG 4.44Å; W16-F97 AromaticContact NE1-CD1 3.73Å; W16-F97 AromaticContact NE1-CG 3.93Å; W16-F97 WeakPolarHBondContact O-CZ 3.48Å
17	E	93.8	Very high	91	Very high	78 Å²	78	76.4 Å²	76.4	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-43.6	174.4	-71.5	-172.5	146.7	0	0	112.1	V13 K14 Q15 E19 Q20 K21 F94 R133	V13-E17 HydrophobicContact CG1-CG 4.48Å; V13-E17 WeakPolarHBondContact O-CG 3.41Å; V13-E17 PolarHBondContact O-N 3.47Å; K14-E17 PolarHBondContact O-N 3.41Å; Q15-E17 PolarHBondContact O-N 3.13Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 2.9Å; E17-Q20 PolarHBondContact O-N 3.13Å; E17-K21 WeakPolarHBondContact O-CB 3.31Å; E17-K21 PolarHBondContact O-N 2.79Å; E17-F94 HydrophobicContact CG-CE1 3.75Å; E17-F94 HydrophobicContact CG-CZ 3.46Å; E17-F94 VanDerWaalsContact CG-CZ 3.46Å; E17-R133 IonicContact OE1-CZ 2.7Å; E17-R133 IonicContact OE1-NE 3.63Å; E17-R133 PolarHBondContact OE1-NE 2.86Å; E17-R133 IonicContact OE1-NH2 3.56Å; E17-R133 PolarHBondContact OE1-NH2 3.17Å
18	S	95.5	Very high	92.7	Very high	81 Å²	81	73.8 Å²	73.8	57%	0.566	36%	0.36	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175	-170.9	0	0	0	0	111	K14 Q15 K21 R22	K14-S18 WeakPolarHBondContact O-CB 3.43Å; K14-S18 PolarHBondContact O-N 2.7Å; Q15-S18 WeakPolarHBondContact O-CB 3.32Å; Q15-S18 PolarHBondContact O-N 3.2Å; S18-K21 PolarHBondContact O-N 3.25Å; S18-R22 WeakPolarHBondContact O-CB 3.48Å; S18-R22 PolarHBondContact O-N 3.16Å
19	E	95.4	Very high	94	Very high	63 Å²	63	75.5 Å²	75.5	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-68.9	-41.2	-179.2	-174.1	62.2	-176	0	0	112.7	Q15 W16 E17 K21 R22 L23 F97	Q15-E19 WeakPolarHBondContact O-CB 3.27Å; Q15-E19 PolarHBondContact O-N 2.81Å; W16-E19 PolarHBondContact O-N 3.06Å; E17-E19 VanDerWaalsContact C-N 3.31Å; E17-E19 PolarHBondContact O-N 2.9Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 2.9Å; E19-R22 PolarHBondContact O-N 2.88Å; E19-R22 IonicContact OE1-CZ 2.73Å; E19-R22 IonicContact OE1-NE 3.49Å; E19-R22 PolarHBondContact OE1-NE 3.28Å; E19-R22 IonicContact OE1-NH2 3.7Å; E19-R22 PolarHBondContact OE1-NH2 3.32Å; E19-R22 IonicContact OE2-CZ 2.82Å; E19-R22 IonicContact OE2-NE 3.67Å; E19-R22 PolarHBondContact OE2-NE 3.17Å; E19-R22 IonicContact OE2-NH2 3.41Å; E19-L23 HydrophobicContact CG-CD1 3.96Å; E19-L23 HydrophobicContact CG-CG 4.45Å; E19-L23 WeakPolarHBondContact O-CB 3.29Å; E19-L23 PolarHBondContact O-N 3.23Å; E19-F97 HydrophobicContact CB-CE1 4.24Å; E19-F97 HydrophobicContact CB-CZ 4.09Å; E19-F97 HydrophobicContact CG-CE1 4.01Å; E19-F97 HydrophobicContact CG-CZ 4.21Å
20	Q	95.3	Very high	94.9	Very high	2 Å²	2	78.3 Å²	78.3	1%	0.009	37%	0.371	C	S	.	.	H	α-helix	trans	-59	-44	171.6	-72.8	-173.7	-38.3	0	0	111	W16 E17 R22 R24 G93 F97 R133 F135	W16-Q20 WeakPolarHBondContact O-CG 3.31Å; W16-Q20 PolarHBondContact O-N 3.13Å; E17-Q20 PolarHBondContact O-N 3.13Å; Q20-R22 VanDerWaalsContact C-N 3.31Å; Q20-R22 PolarHBondContact O-N 3.33Å; Q20-R24 WeakPolarHBondContact O-CB 3.44Å; Q20-R24 PolarHBondContact O-N 3.31Å; Q20-G93 PolarHBondContact NE2-O 3.5Å; Q20-F97 HydrophobicContact CG-CE2 3.53Å; Q20-F97 HydrophobicContact CG-CZ 3.82Å; Q20-R133 VanDerWaalsContact OE1-CD 3.31Å; Q20-R133 VanDerWaalsContact OE1-NH1 3.1Å; Q20-F135 HydrophobicContact CB-CD1 4.06Å; Q20-F135 HydrophobicContact CG-CD1 3.94Å
21	K	95.4	Very high	95.5	Very high	153 Å²	153	72.8 Å²	72.8	67%	0.665	35%	0.346	S	S	*	.	H	α-helix	trans	-63.4	-39.5	179.1	-174.7	178.4	179.3	-178.6	0	111.7	E17 S18 E19 Q25	E17-K21 WeakPolarHBondContact O-CB 3.31Å; E17-K21 PolarHBondContact O-N 2.79Å; S18-K21 PolarHBondContact O-N 3.25Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 2.9Å; K21-Q25 WeakPolarHBondContact O-CG 3.4Å
22	R	97.9	Very high	96	Very high	115 Å²	115	69.5 Å²	69.5	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-59.1	177.6	-169.1	-168.3	69.5	70.8	-1.6	110.9	S18 E19 Q20 R24 Q25 E26	S18-R22 WeakPolarHBondContact O-CB 3.48Å; S18-R22 PolarHBondContact O-N 3.16Å; E19-R22 PolarHBondContact O-N 2.88Å; E19-R22 IonicContact OE1-CZ 2.73Å; E19-R22 IonicContact OE1-NE 3.49Å; E19-R22 PolarHBondContact OE1-NE 3.28Å; E19-R22 IonicContact OE1-NH2 3.7Å; E19-R22 PolarHBondContact OE1-NH2 3.32Å; E19-R22 IonicContact OE2-CZ 2.82Å; E19-R22 IonicContact OE2-NE 3.67Å; E19-R22 PolarHBondContact OE2-NE 3.17Å; E19-R22 IonicContact OE2-NH2 3.41Å; Q20-R22 VanDerWaalsContact C-N 3.31Å; Q20-R22 PolarHBondContact O-N 3.33Å; R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 2.97Å; R22-Q25 WeakPolarHBondContact O-CB 3.21Å; R22-Q25 PolarHBondContact O-N 3.41Å; R22-Q25 VanDerWaalsContact O-N 3.08Å; R22-E26 IonicContact CZ-OE1 2.73Å; R22-E26 IonicContact NH1-OE1 2.61Å; R22-E26 PolarHBondContact NH1-OE1 3.29Å
23	L	97.8	Very high	96.5	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.01	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-29.6	-178.6	-70.2	170.6	0	0	0	112.7	E19 Q25 E26 F135 V143 L144	E19-L23 HydrophobicContact CG-CD1 3.96Å; E19-L23 HydrophobicContact CG-CG 4.45Å; E19-L23 WeakPolarHBondContact O-CB 3.29Å; E19-L23 PolarHBondContact O-N 3.23Å; L23-Q25 PolarHBondContact O-N 2.69Å; L23-E26 WeakPolarHBondContact O-CB 3.18Å; L23-E26 PolarHBondContact O-N 3.47Å; L23-F135 HydrophobicContact CB-CE1 3.81Å; L23-F135 HydrophobicContact CB-CE2 3.89Å; L23-F135 HydrophobicContact CB-CZ 3.29Å; L23-F135 HydrophobicContact CD1-CE1 4.06Å; L23-F135 HydrophobicContact CD1-CZ 4.01Å; L23-F135 HydrophobicContact CG-CZ 4.28Å; L23-V143 HydrophobicContact CD2-CG1 3.75Å; L23-L144 HydrophobicContact CD2-CD2 4.07Å
24	R	97.8	Very high	96.9	Very high	35 Å²	35	75.1 Å²	75.1	13%	0.132	36%	0.361	C	S	.	.	H	α-helix	trans	-57.8	-32	174.2	174.4	58.8	-176.2	93.8	-5.1	112.9	Q20 R22 E26 V27 E29 E134 F135	Q20-R24 WeakPolarHBondContact O-CB 3.44Å; Q20-R24 PolarHBondContact O-N 3.31Å; R22-R24 VanDerWaalsContact C-N 3.25Å; R22-R24 PolarHBondContact O-N 2.97Å; R24-E26 PolarHBondContact O-N 3Å; R24-V27 PolarHBondContact O-N 2.87Å; R24-E29 IonicContact CZ-OE1 3.99Å; R24-E29 IonicContact NH1-OE1 3.69Å; R24-E29 PolarHBondContact NH1-OE1 3.23Å; R24-E29 IonicContact NH2-OE1 2.69Å; R24-E29 PolarHBondContact NH2-OE1 2.82Å; R24-E134 WeakPolarHBondContact CD-O 3.45Å; R24-E134 IonicContact CZ-OE2 3.06Å; R24-E134 PolarHBondContact NE-O 3.35Å; R24-E134 IonicContact NE-OE2 3.49Å; R24-E134 IonicContact NH2-OE2 3.72Å; R24-E134 PolarHBondContact NH2-OE2 2.73Å; R24-F135 HydrophobicContact CB-CB 4.28Å; R24-F135 HydrophobicContact CB-CD2 3.99Å; R24-F135 HydrophobicContact CB-CG 4.27Å
25	Q	97.9	Very high	97.2	Very high	147 Å²	147	70.1 Å²	70.1	69%	0.687	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-19	177.1	-56.8	-53	-51.5	0	0	112.6	K21 R22 L23	K21-Q25 WeakPolarHBondContact O-CG 3.4Å; R22-Q25 WeakPolarHBondContact O-CB 3.21Å; R22-Q25 PolarHBondContact O-N 3.41Å; R22-Q25 VanDerWaalsContact O-N 3.08Å; L23-Q25 PolarHBondContact O-N 2.69Å
26	E	98.4	Very high	97.4	Very high	88 Å²	88	65.1 Å²	65.1	41%	0.411	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.3	180	-57.5	178.2	-138.1	0	0	112	R22 L23 R24 V28 V143 H212	R22-E26 IonicContact CZ-OE1 2.73Å; R22-E26 IonicContact NH1-OE1 2.61Å; R22-E26 PolarHBondContact NH1-OE1 3.29Å; L23-E26 WeakPolarHBondContact O-CB 3.18Å; L23-E26 PolarHBondContact O-N 3.47Å; R24-E26 PolarHBondContact O-N 3Å; E26-V28 PolarHBondContact O-N 3.08Å; E26-V143 HydrophobicContact CB-CG1 3.73Å; E26-V143 HydrophobicContact CB-CG2 4.21Å; E26-V143 HydrophobicContact CG-CG1 4.49Å; E26-H212 PolarHBondContact O-CE1 2.87Å
27	V	98.8	Very high	97.5	Very high	13 Å²	13	70.7 Å²	70.7	8%	0.079	34%	0.337	C	S	.	.			trans	-69.4	117.8	178.6	178.1	0	0	0	0	110.5	R24 E29 L129 F135 C139 V143 G211	R24-V27 PolarHBondContact O-N 2.87Å; V27-E29 HydrophobicContact CG1-CG 4.35Å; V27-L129 HydrophobicContact CG1-CD2 4Å; V27-F135 HydrophobicContact CG2-CD2 3.79Å; V27-F135 HydrophobicContact CG2-CE2 3.69Å; V27-C139 HydrophobicContact CG2-CB 3.92Å; V27-V143 HydrophobicContact CG2-CG2 3.71Å; V27-G211 WeakPolarHBondContact CG1-O 3.32Å
28	V	98.8	Very high	97.6	Very high	55 Å²	55	68.3 Å²	68.3	33%	0.333	33%	0.329	S	S	.	.			trans	-88.3	120.9	170.4	-178.4	0	0	0	0	109.4	E26 E30 T32 H212 R213	E26-V28 PolarHBondContact O-N 3.08Å; V28-E30 HydrophobicContact CG1-CB 4.42Å; V28-T32 HydrophobicContact CG1-CG2 3.7Å; V28-H212 PolarHBondContact N-ND1 2.91Å; V28-H212 CarbonylContact O-C 3.14Å; V28-R213 HydrophobicContact CB-CG 3.84Å; V28-R213 HydrophobicContact CG1-CG 4.34Å; V28-R213 HydrophobicContact CG2-CG 4.16Å; V28-R213 PolarHBondContact O-N 2.82Å
29	E	98.5	Very high	97.4	Very high	72 Å²	72	69.9 Å²	69.9	34%	0.336	34%	0.337	S	S	.	.			trans	-94.2	8.6	-176.9	-49.6	-170.1	-161.4	0	0	113.4	R24 V27 L129 K190 S215	R24-E29 IonicContact CZ-OE1 3.99Å; R24-E29 IonicContact NH1-OE1 3.69Å; R24-E29 PolarHBondContact NH1-OE1 3.23Å; R24-E29 IonicContact NH2-OE1 2.69Å; R24-E29 PolarHBondContact NH2-OE1 2.82Å; V27-E29 HydrophobicContact CG1-CG 4.35Å; E29-L129 HydrophobicContact CB-CD1 4.5Å; E29-L129 HydrophobicContact CG-CD1 3.76Å; E29-L129 WeakPolarHBondContact OE2-CD1 3.4Å; E29-K190 IonicContact OE1-NZ 3.26Å; E29-K190 PolarHBondContact OE1-NZ 3.46Å; E29-K190 IonicContact OE2-NZ 3.6Å; E29-S215 WeakPolarHBondContact O-CA 3.47Å
30	E	98.5	Very high	97.3	Very high	147 Å²	147	71.8 Å²	71.8	69%	0.687	35%	0.349	S	S	*	.	S	Bend	trans	-121.7	162.6	-172.4	-63	-178.5	-179.2	0	0	112.5	V28 T32 R213 I214	V28-E30 HydrophobicContact CG1-CB 4.42Å; E30-T32 PolarHBondContact O-N 2.92Å; E30-R213 CarbonylContact O-C 3.15Å; E30-I214 PolarHBondContact O-N 3.13Å; E30-I214 VanDerWaalsContact O-N 3.13Å
31	D	98.8	Very high	97.4	Very high	36 Å²	36	71.7 Å²	71.7	19%	0.193	35%	0.349	C	S	.	.			trans	-74	117.7	176.3	-66.3	-40.8	0	0	0	111.2	Q36 R37 S215 A218	D31-Q36 VanDerWaalsContact C-OE1 3.28Å; D31-Q36 HydrophobicContact CB-CB 3.77Å; D31-R37 PolarHBondContact O-NH2 2.97Å; D31-S215 VanDerWaalsContact CG-OG 3.29Å; D31-S215 PolarHBondContact OD1-N 2.91Å; D31-S215 PolarHBondContact OD1-OG 3.45Å; D31-S215 VanDerWaalsContact OD2-CB 3.31Å; D31-S215 WeakPolarHBondContact OD2-CB 3.33Å; D31-S215 PolarHBondContact OD2-OG 3.25Å; D31-A218 VanDerWaalsContact OD1-CB 3.27Å; D31-A218 WeakPolarHBondContact OD1-CB 3.25Å
32	T	98.7	Very high	97.6	Very high	46 Å²	46	67.1 Å²	67.1	28%	0.282	34%	0.34	S	S	.	.			trans	-103.6	-11.2	-177.5	64.6	0	0	0	0	114.1	V28 E30 R213	V28-T32 HydrophobicContact CG1-CG2 3.7Å; E30-T32 PolarHBondContact O-N 2.92Å; T32-R213 HydrophobicContact CG2-CB 4.06Å; T32-R213 HydrophobicContact CG2-CG 3.92Å; T32-R213 WeakPolarHBondContact OG1-CB 3.33Å; T32-R213 PolarHBondContact OG1-NE 3.25Å; T32-R213 PolarHBondContact OG1-NH2 2.74Å; T32-R213 VanDerWaalsContact OG1-NH2 3.12Å
33	E	98.6	Very high	97.6	Very high	63 Å²	63	64.1 Å²	64.1	29%	0.294	35%	0.345	S	S	.	.	S	Bend	trans	-117.7	146.9	-175.3	-54.7	-62.3	146.7	0	0	111.2	W35 Q36 P148 R213	E33-W35 VanDerWaalsContact C-N 3.32Å; E33-W35 VanDerWaalsContact CB-CD1 3.5Å; E33-W35 HydrophobicContact CB-CG 4.29Å; E33-W35 PolarHBondContact O-N 2.83Å; E33-Q36 HydrophobicContact CB-CG 4.2Å; E33-Q36 WeakPolarHBondContact O-CB 3.41Å; E33-Q36 PolarHBondContact O-N 3.19Å; E33-P148 HydrophobicContact CG-CG 4.22Å; E33-R213 IonicContact OE1-CZ 3.84Å; E33-R213 IonicContact OE1-NH2 2.65Å; E33-R213 PolarHBondContact OE1-NH2 3.48Å
34	D	98.3	Very high	97.6	Very high	130 Å²	130	64.5 Å²	64.5	70%	0.695	35%	0.346	S	S	*	.	H	α-helix	trans	-63.5	-36.6	-176.3	-70.9	-26.4	0	0	0	113.1	Q36 R37	D34-Q36 PolarHBondContact O-N 3.07Å; D34-Q36 VanDerWaalsContact O-N 3.17Å; D34-R37 PolarHBondContact O-N 2.91Å; D34-R37 VanDerWaalsContact O-N 3.13Å; D34-R37 IonicContact OD1-NH1 2.94Å; D34-R37 PolarHBondContact OD1-NH1 3.3Å
35	W	98.6	Very high	97.7	Very high	13 Å²	13	68 Å²	68	5%	0.049	36%	0.364	C	S	.	.	H	α-helix	trans	-61.2	-26.3	179.2	64.5	-97.4	0	0	0	112.5	E33 R37 S38 F41 A42 L44 Q120 V121 P148 I214 L222	E33-W35 VanDerWaalsContact C-N 3.32Å; E33-W35 VanDerWaalsContact CB-CD1 3.5Å; E33-W35 HydrophobicContact CB-CG 4.29Å; E33-W35 PolarHBondContact O-N 2.83Å; W35-R37 VanDerWaalsContact C-N 3.29Å; W35-R37 PolarHBondContact O-N 2.81Å; W35-S38 PolarHBondContact O-N 3.49Å; W35-F41 HydrophobicContact CE3-CB 4.34Å; W35-F41 AromaticContact CE3-CD1 3.71Å; W35-F41 HydrophobicContact CE3-CD1 3.71Å; W35-F41 HydrophobicContact CE3-CG 4.45Å; W35-F41 AromaticContact CZ3-CD1 3.8Å; W35-F41 HydrophobicContact CZ3-CD1 3.8Å; W35-F41 HydrophobicContact CZ3-CE1 4.24Å; W35-F41 VanDerWaalsContact O-CA 3.32Å; W35-F41 WeakPolarHBondContact O-CA 3.45Å; W35-F41 WeakPolarHBondContact O-CD1 3.17Å; W35-A42 WeakPolarHBondContact CA-O 3.31Å; W35-A42 WeakPolarHBondContact CB-O 3.4Å; W35-L44 HydrophobicContact CB-CB 4.34Å; W35-L44 HydrophobicContact CD2-CB 4.17Å; W35-L44 HydrophobicContact CD2-CD1 4.1Å; W35-L44 HydrophobicContact CE3-CB 3.94Å; W35-L44 HydrophobicContact CE3-CD1 4.05Å; W35-L44 HydrophobicContact CE3-CD2 3.98Å; W35-L44 HydrophobicContact CE3-CG 4.21Å; W35-L44 HydrophobicContact CG-CB 4.35Å; W35-L44 HydrophobicContact CH2-CD1 4.37Å; W35-L44 HydrophobicContact CZ2-CD1 4.39Å; W35-L44 HydrophobicContact CZ3-CD1 4.2Å; W35-L44 HydrophobicContact CZ3-CD2 3.93Å; W35-Q120 HydrophobicContact CZ2-CB 4.46Å; W35-V121 HydrophobicContact CH2-CB 3.78Å; W35-V121 HydrophobicContact CH2-CG1 3.86Å; W35-V121 HydrophobicContact CH2-CG2 4.27Å; W35-V121 HydrophobicContact CZ2-CB 4.01Å; W35-V121 HydrophobicContact CZ2-CG1 4.33Å; W35-P148 HydrophobicContact CZ2-CB 4.46Å; W35-P148 HydrophobicContact CZ2-CG 4.4Å; W35-I214 HydrophobicContact CH2-CD1 4.42Å; W35-L222 HydrophobicContact CH2-CD2 4.29Å; W35-L222 HydrophobicContact CZ3-CD2 4.1Å
36	Q	98.6	Very high	97.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-70.2	-29.6	-179.8	-66.3	169.7	-34.8	0	0	112.5	D31 E33 D34 R213 R221	D31-Q36 VanDerWaalsContact C-OE1 3.28Å; D31-Q36 HydrophobicContact CB-CB 3.77Å; E33-Q36 HydrophobicContact CB-CG 4.2Å; E33-Q36 WeakPolarHBondContact O-CB 3.41Å; E33-Q36 PolarHBondContact O-N 3.19Å; D34-Q36 PolarHBondContact O-N 3.07Å; D34-Q36 VanDerWaalsContact O-N 3.17Å; Q36-R213 PolarHBondContact NE2-O 2.81Å; Q36-R213 PolarHBondContact OE1-O 3.47Å; Q36-R221 PolarHBondContact O-NH2 3.28Å; Q36-R221 VanDerWaalsContact O-NH2 3.17Å
37	R	96	Very high	97.7	Very high	145 Å²	145	59.3 Å²	59.3	55%	0.547	32%	0.321	S	S	.	.	H	α-helix	trans	-83.1	-16.1	-177.9	-56.3	-179	-171.7	115.3	6.7	112.2	D31 D34 W35	D31-R37 PolarHBondContact O-NH2 2.97Å; D34-R37 PolarHBondContact O-N 2.91Å; D34-R37 VanDerWaalsContact O-N 3.13Å; D34-R37 IonicContact OD1-NH1 2.94Å; D34-R37 PolarHBondContact OD1-NH1 3.3Å; W35-R37 VanDerWaalsContact C-N 3.29Å; W35-R37 PolarHBondContact O-N 2.81Å
38	S	96	Very high	97.7	Very high	29 Å²	29	58.7 Å²	58.7	20%	0.203	32%	0.318	C	S	.	.	S	Bend	trans	-72.6	134.6	174.7	-161.4	0	0	0	0	110.9	W35 D40 F41	W35-S38 PolarHBondContact O-N 3.49Å; S38-D40 WeakPolarHBondContact CB-OD1 3.03Å; S38-D40 PolarHBondContact O-N 2.79Å; S38-D40 PolarHBondContact OG-OD1 3.42Å; S38-F41 PolarHBondContact O-N 2.85Å; S38-F41 VanDerWaalsContact O-N 3.13Å
39	P	91.3	Very high	97.7	Very high	113 Å²	113	56 Å²	56	73%	0.734	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.6	177	-27.4	35.6	0	0	0	114.1	R221	P39-R221 PolarHBondContact O-NH1 2.73Å
40	D	92.9	Very high	97.7	Very high	103 Å²	103	52.7 Å²	52.7	55%	0.551	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	4.4	-179	64.1	-9	0	0	0	113.8	S38 A42	S38-D40 WeakPolarHBondContact CB-OD1 3.03Å; S38-D40 PolarHBondContact O-N 2.79Å; S38-D40 PolarHBondContact OG-OD1 3.42Å; D40-A42 VanDerWaalsContact C-N 3.31Å; D40-A42 PolarHBondContact O-N 2.94Å; D40-A42 WeakPolarHBondContact OD1-CB 3.23Å; D40-A42 PolarHBondContact OD1-N 3.43Å
41	F	98.4	Very high	97.6	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	26%	0.257	C	S	.	.			trans	58.8	34.4	-171.4	-55.5	-79.3	0	0	0	114.6	W35 S38 G43 L44 Y71 A218 R221 L222 L225	W35-F41 HydrophobicContact CE3-CB 4.34Å; W35-F41 AromaticContact CE3-CD1 3.71Å; W35-F41 HydrophobicContact CE3-CD1 3.71Å; W35-F41 HydrophobicContact CE3-CG 4.45Å; W35-F41 AromaticContact CZ3-CD1 3.8Å; W35-F41 HydrophobicContact CZ3-CD1 3.8Å; W35-F41 HydrophobicContact CZ3-CE1 4.24Å; W35-F41 VanDerWaalsContact O-CA 3.32Å; W35-F41 WeakPolarHBondContact O-CA 3.45Å; W35-F41 WeakPolarHBondContact O-CD1 3.17Å; S38-F41 PolarHBondContact O-N 2.85Å; S38-F41 VanDerWaalsContact O-N 3.13Å; F41-G43 PolarHBondContact O-N 2.85Å; F41-L44 HydrophobicContact CB-CB 4.05Å; F41-L44 HydrophobicContact CB-CD2 4.11Å; F41-L44 WeakPolarHBondContact O-CB 3.46Å; F41-L44 PolarHBondContact O-N 3.35Å; F41-Y71 HydrophobicContact CB-CE1 4.11Å; F41-A218 HydrophobicContact CE1-CB 4.34Å; F41-R221 HydrophobicContact CE2-CB 4.05Å; F41-R221 HydrophobicContact CZ-CB 3.84Å; F41-L222 HydrophobicContact CD1-CD1 4.31Å; F41-L222 HydrophobicContact CD2-CD1 3.8Å; F41-L222 HydrophobicContact CE1-CB 4.18Å; F41-L222 HydrophobicContact CE1-CD1 4.41Å; F41-L222 HydrophobicContact CE2-CB 3.95Å; F41-L222 HydrophobicContact CE2-CD1 3.93Å; F41-L222 HydrophobicContact CG-CD1 3.99Å; F41-L222 HydrophobicContact CZ-CB 3.66Å; F41-L222 HydrophobicContact CZ-CD1 4.22Å; F41-L225 HydrophobicContact CD2-CD1 3.6Å; F41-L225 HydrophobicContact CE2-CD1 3.6Å
42	A	98.1	Very high	97.4	Very high	57 Å²	57	45.3 Å²	45.3	47%	0.471	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	129.1	171.9	0	0	0	0	0	112.1	W35 D40	W35-A42 WeakPolarHBondContact CA-O 3.31Å; W35-A42 WeakPolarHBondContact CB-O 3.4Å; D40-A42 VanDerWaalsContact C-N 3.31Å; D40-A42 PolarHBondContact O-N 2.94Å; D40-A42 WeakPolarHBondContact OD1-CB 3.23Å; D40-A42 PolarHBondContact OD1-N 3.43Å
43	G	98.2	Very high	97.1	Very high	52 Å²	52	43.6 Å²	43.6	54%	0.536	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	-10.5	-173.3	0	0	0	0	0	114.5	F41 Q120	F41-G43 PolarHBondContact O-N 2.85Å; G43-Q120 PolarHBondContact O-NE2 3.32Å
44	L	98.8	Very high	96.7	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.047	24%	0.241	C	C	.	.			trans	-80.1	123.9	167.4	-176.7	62.9	0	0	0	110.1	W35 F41 V47 Y71 Q120 V121 L222	W35-L44 HydrophobicContact CB-CB 4.34Å; W35-L44 HydrophobicContact CD2-CB 4.17Å; W35-L44 HydrophobicContact CD2-CD1 4.1Å; W35-L44 HydrophobicContact CE3-CB 3.94Å; W35-L44 HydrophobicContact CE3-CD1 4.05Å; W35-L44 HydrophobicContact CE3-CD2 3.98Å; W35-L44 HydrophobicContact CE3-CG 4.21Å; W35-L44 HydrophobicContact CG-CB 4.35Å; W35-L44 HydrophobicContact CH2-CD1 4.37Å; W35-L44 HydrophobicContact CZ2-CD1 4.39Å; W35-L44 HydrophobicContact CZ3-CD1 4.2Å; W35-L44 HydrophobicContact CZ3-CD2 3.93Å; F41-L44 HydrophobicContact CB-CB 4.05Å; F41-L44 HydrophobicContact CB-CD2 4.11Å; F41-L44 WeakPolarHBondContact O-CB 3.46Å; F41-L44 PolarHBondContact O-N 3.35Å; L44-V47 HydrophobicContact CD1-CG1 4.25Å; L44-V47 HydrophobicContact CD2-CG1 3.89Å; L44-V47 HydrophobicContact CG-CG1 4.29Å; L44-Y71 HydrophobicContact CB-CD1 3.96Å; L44-Y71 HydrophobicContact CB-CE1 4.3Å; L44-Y71 HydrophobicContact CD2-CD1 3.86Å; L44-Y71 HydrophobicContact CD2-CD2 3.98Å; L44-Y71 HydrophobicContact CD2-CE1 4.03Å; L44-Y71 HydrophobicContact CD2-CE2 4.15Å; L44-Y71 HydrophobicContact CD2-CG 3.83Å; L44-Y71 HydrophobicContact CG-CD1 3.84Å; L44-Y71 HydrophobicContact CG-CE1 4.39Å; L44-Y71 HydrophobicContact CG-CG 3.92Å; L44-Y71 WeakPolarHBondContact O-CD1 3.34Å; L44-Q120 HydrophobicContact CD1-CB 3.67Å; L44-Q120 HydrophobicContact CD1-CG 4.4Å; L44-V121 HydrophobicContact CD1-CG1 4.07Å; L44-L222 HydrophobicContact CD2-CD1 3.43Å; L44-L222 VanDerWaalsContact CD2-CD1 3.43Å; L44-L222 HydrophobicContact CD2-CD2 4.23Å; L44-L222 HydrophobicContact CD2-CG 4.47Å
45	E	98.8	Very high	96.3	Very high	110 Å²	110	39.3 Å²	39.3	51%	0.514	22%	0.217	S	C	.	.			trans	-122.4	-27.3	-177.1	-62.4	-179.4	164.9	0	0	112.3	S70 Y71	E45-S70 CarbonylContact O-C 3.59Å; E45-S70 WeakPolarHBondContact O-CA 3.33Å; E45-Y71 PolarHBondContact O-N 3.23Å
46	R	98.9	Very high	95.6	Very high	51 Å²	51	48.5 Å²	48.5	19%	0.192	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	126.7	-173.6	-68.9	169.3	-64.2	-68.6	-7.6	112.2	V68 L69 L77 V118 Q120	R46-V68 HydrophobicContact CB-CG1 3.89Å; R46-V68 HydrophobicContact CG-CG1 4.14Å; R46-L69 WeakPolarHBondContact CA-O 3.49Å; R46-L77 HydrophobicContact CG-CD1 4.12Å; R46-V118 PolarHBondContact NE-O 3.44Å; R46-Q120 VanDerWaalsContact N-OE1 3.14Å; R46-Q120 PolarHBondContact O-N 2.87Å
47	V	98.9	Very high	94.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	131	173.1	-64.2	0	0	0	0	110	L44 L69 Y71 L74 V121 F123 P234	L44-V47 HydrophobicContact CD1-CG1 4.25Å; L44-V47 HydrophobicContact CD2-CG1 3.89Å; L44-V47 HydrophobicContact CG-CG1 4.29Å; V47-L69 HydrophobicContact CG2-CB 4.04Å; V47-L69 PolarHBondContact N-O 2.96Å; V47-L69 PolarHBondContact O-N 3.22Å; V47-Y71 HydrophobicContact CG1-CD2 4.14Å; V47-Y71 HydrophobicContact CG1-CG 4.5Å; V47-L74 HydrophobicContact CG2-CD2 4.13Å; V47-V121 HydrophobicContact CB-CG1 4.37Å; V47-V121 HydrophobicContact CG1-CG1 3.76Å; V47-F123 HydrophobicContact CB-CD2 4.49Å; V47-F123 HydrophobicContact CB-CE2 4.31Å; V47-F123 HydrophobicContact CG1-CE2 4.36Å; V47-P234 HydrophobicContact CB-CG 4.2Å; V47-P234 HydrophobicContact CG2-CG 3.63Å
48	G	98.9	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	150.4	177.6	0	0	0	0	0	111.5	V67 V121 F123 P234	G48-V67 CarbonylContact C-O 3.55Å; G48-V67 VanDerWaalsContact CA-O 3.28Å; G48-V67 WeakPolarHBondContact CA-O 3.35Å; G48-V121 PolarHBondContact N-O 2.9Å; G48-F123 PolarHBondContact O-N 3.3Å; G48-P234 WeakPolarHBondContact O-CB 3.37Å
49	G	98.8	Very high	93.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135.8	169.3	0	0	0	0	0	109.6	V67 F123	G49-V67 PolarHBondContact N-O 2.82Å; G49-V67 WeakPolarHBondContact O-CG2 3.3Å; G49-V67 PolarHBondContact O-N 3.39Å; G49-F123 WeakPolarHBondContact CA-O 3.41Å
50	V	98.6	Very high	93.6	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	145.6	174.6	-64.1	0	0	0	0	111.4	Q65 L66 L103 V122 F123 V124 L141	V50-Q65 VanDerWaalsContact CA-O 3.25Å; V50-Q65 WeakPolarHBondContact CA-O 3.37Å; V50-L66 HydrophobicContact CG1-CD1 3.69Å; V50-L103 HydrophobicContact CB-CD1 4.32Å; V50-L103 HydrophobicContact CB-CD2 4.11Å; V50-L103 HydrophobicContact CG2-CD1 4.05Å; V50-V122 HydrophobicContact CG1-CG1 3.93Å; V50-V122 HydrophobicContact CG2-CG1 4Å; V50-F123 PolarHBondContact N-O 2.74Å; V50-V124 HydrophobicContact CG2-CB 4.06Å; V50-V124 HydrophobicContact CG2-CG1 3.95Å; V50-V124 HydrophobicContact CG2-CG2 3.75Å; V50-L141 HydrophobicContact CG2-CD2 3.87Å
51	D	95.4	Very high	93.6	Very high	14 Å²	14	48 Å²	48	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	154	175.4	178.7	51.3	0	0	0	109.8	S53 Q65 A238 S242	D51-S53 PolarHBondContact OD2-OG 2.66Å; D51-Q65 HydrophobicContact CB-CB 4.5Å; D51-Q65 PolarHBondContact N-O 2.91Å; D51-Q65 VanDerWaalsContact N-O 3.1Å; D51-Q65 PolarHBondContact O-N 3.08Å; D51-A238 HydrophobicContact CB-CB 3.64Å; D51-S242 WeakPolarHBondContact OD2-CB 3.33Å; D51-S242 PolarHBondContact OD2-OG 3.42Å
52	L	94.3	Very high	93.4	Very high	15 Å²	15	48 Å²	48	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	103.3	170.6	-161.8	143.6	0	0	0	108.7	F54 A62 C63 A64 V84 L86 E99 F102	L52-F54 HydrophobicContact CD2-CD2 4.36Å; L52-F54 HydrophobicContact CD2-CE1 4.36Å; L52-F54 HydrophobicContact CD2-CE2 3.74Å; L52-F54 HydrophobicContact CD2-CZ 3.74Å; L52-A62 HydrophobicContact CD2-CB 3.31Å; L52-A62 HydrophobicContact CG-CB 4.01Å; L52-C63 WeakPolarHBondContact CA-O 3.23Å; L52-A64 HydrophobicContact CD1-CB 4.38Å; L52-V84 HydrophobicContact CD1-CG2 4.44Å; L52-L86 HydrophobicContact CD2-CD1 4.14Å; L52-L86 HydrophobicContact CD2-CD2 3.98Å; L52-E99 HydrophobicContact CB-CG 4.49Å; L52-E99 HydrophobicContact CD1-CB 3.96Å; L52-E99 HydrophobicContact CD1-CG 4.02Å; L52-E99 HydrophobicContact CD2-CG 4.22Å; L52-E99 HydrophobicContact CG-CG 4.49Å; L52-F102 HydrophobicContact CD1-CB 4.48Å; L52-F102 HydrophobicContact CD1-CD2 4.46Å
53	S	93	Very high	93.3	Very high	9 Å²	9	45.3 Å²	45.3	6%	0.063	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.2	-175.8	-85.2	0	0	0	0	111.1	D51 A62 C63 S242	D51-S53 PolarHBondContact OD2-OG 2.66Å; S53-A62 CarbonylContact O-C 3.16Å; S53-A62 WeakPolarHBondContact O-CA 3.44Å; S53-A62 WeakPolarHBondContact O-CB 3.23Å; S53-C63 PolarHBondContact N-O 3.13Å; S53-C63 PolarHBondContact O-N 3.17Å; S53-S242 WeakPolarHBondContact CB-OG 3.45Å; S53-S242 PolarHBondContact OG-OG 2.92Å
54	F	90.4	Very high	93.2	Very high	67 Å²	67	42.9 Å²	42.9	29%	0.294	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	150.4	179.8	-68.2	-94.1	0	0	0	112.5	L52 D58 E59 A62 L86 L246	L52-F54 HydrophobicContact CD2-CD2 4.36Å; L52-F54 HydrophobicContact CD2-CE1 4.36Å; L52-F54 HydrophobicContact CD2-CE2 3.74Å; L52-F54 HydrophobicContact CD2-CZ 3.74Å; F54-D58 WeakPolarHBondContact CB-O 3.35Å; F54-E59 WeakPolarHBondContact CE1-O 3.17Å; F54-A62 HydrophobicContact CD1-CB 3.95Å; F54-A62 HydrophobicContact CE1-CB 4.2Å; F54-A62 HydrophobicContact CG-CB 4.19Å; F54-L86 HydrophobicContact CE1-CD2 3.69Å; F54-L86 HydrophobicContact CZ-CD2 3.57Å; F54-L246 VanDerWaalsContact O-CD1 3.32Å; F54-L246 WeakPolarHBondContact O-CD1 3.43Å
55	I	89.2	Confident	93.2	Very high	37 Å²	37	42.4 Å²	42.4	19%	0.19	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-61.4	140.4	165.3	-63.9	173.6	0	0	0	108.4	G57 D58 N61 M83 L246 F250	I55-G57 PolarHBondContact O-N 3.39Å; I55-G57 VanDerWaalsContact O-N 3.09Å; I55-D58 HydrophobicContact CB-CB 3.78Å; I55-D58 HydrophobicContact CG2-CB 4.18Å; I55-D58 PolarHBondContact O-N 3.48Å; I55-N61 HydrophobicContact CD1-CB 3.8Å; I55-N61 HydrophobicContact CG1-CB 4.46Å; I55-N61 PolarHBondContact N-O 2.81Å; I55-M83 HydrophobicContact CD1-CE 4.35Å; I55-M83 HydrophobicContact CD1-SD 4.31Å; I55-L246 HydrophobicContact CG1-CD2 3.75Å; I55-F250 HydrophobicContact CD1-CB 4.1Å; I55-F250 HydrophobicContact CD1-CD1 3.83Å; I55-F250 HydrophobicContact CD1-CD2 4.49Å; I55-F250 HydrophobicContact CD1-CE1 4.43Å; I55-F250 HydrophobicContact CD1-CG 3.86Å; I55-F250 HydrophobicContact CG1-CB 4.47Å
56	K	83.6	Confident	93.2	Very high	205 Å²	205	37.2 Å²	37.2	89%	0.891	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.7	118.4	-178.7	-174.4	-177.3	177.5	-172.1	0	110.2	D58	K56-D58 VanDerWaalsContact C-N 3.34Å
57	G	83.5	Confident	93.2	Very high	90 Å²	90	34.8 Å²	34.8	93%	0.928	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.1	6.3	-178.5	0	0	0	0	0	114.5	I55	I55-G57 PolarHBondContact O-N 3.39Å; I55-G57 VanDerWaalsContact O-N 3.09Å
58	D	86.1	Confident	93.2	Very high	44 Å²	44	34.8 Å²	34.8	24%	0.235	19%	0.192	C	C	.	.			trans	-116.8	131.6	175.6	-165	-31.3	0	0	0	109.3	F54 I55 K56 V60 N61	F54-D58 WeakPolarHBondContact CB-O 3.35Å; I55-D58 HydrophobicContact CB-CB 3.78Å; I55-D58 HydrophobicContact CG2-CB 4.18Å; I55-D58 PolarHBondContact O-N 3.48Å; K56-D58 VanDerWaalsContact C-N 3.34Å; D58-V60 WeakPolarHBondContact OD1-CA 3.32Å; D58-V60 WeakPolarHBondContact OD1-CB 3.31Å; D58-V60 PolarHBondContact OD1-N 3.15Å; D58-N61 PolarHBondContact OD1-N 2.88Å; D58-N61 WeakPolarHBondContact OD2-CB 3.24Å; D58-N61 PolarHBondContact OD2-ND2 3.44Å
59	E	83.3	Confident	93.2	Very high	139 Å²	139	34.8 Å²	34.8	65%	0.65	19%	0.192	S	C	*	.	S	Bend	trans	-105.7	3.2	177.7	-63.1	-173.5	170.8	0	0	112.7	F54 R98	F54-E59 WeakPolarHBondContact CE1-O 3.17Å; E59-R98 PolarHBondContact O-NH1 2.87Å; E59-R98 PolarHBondContact O-NH2 2.99Å
60	V	88	Confident	93.2	Very high	61 Å²	61	35.7 Å²	35.7	37%	0.37	20%	0.199	S	C	.	.	S	Bend	trans	-113.4	-47.6	-174.7	179.5	0	0	0	0	110.4	D58 T85 L86	D58-V60 WeakPolarHBondContact OD1-CA 3.32Å; D58-V60 WeakPolarHBondContact OD1-CB 3.31Å; D58-V60 PolarHBondContact OD1-N 3.15Å; V60-T85 HydrophobicContact CG1-CG2 3.59Å; V60-L86 WeakPolarHBondContact O-CB 3.49Å; V60-L86 PolarHBondContact O-N 3.39Å
61	N	92	Very high	93.2	Very high	47 Å²	47	37.1 Å²	37.1	25%	0.251	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.1	-177.6	-59.6	-66.1	0	0	0	111.7	I55 D58 M83 V84 T85	I55-N61 HydrophobicContact CD1-CB 3.8Å; I55-N61 HydrophobicContact CG1-CB 4.46Å; I55-N61 PolarHBondContact N-O 2.81Å; D58-N61 PolarHBondContact OD1-N 2.88Å; D58-N61 WeakPolarHBondContact OD2-CB 3.24Å; D58-N61 PolarHBondContact OD2-ND2 3.44Å; N61-M83 HydrophobicContact CB-SD 4.24Å; N61-V84 WeakPolarHBondContact CA-O 3.48Å; N61-T85 PolarHBondContact OD1-OG1 2.87Å; N61-T85 VanDerWaalsContact OD1-OG1 3.04Å
62	A	94.1	Very high	93.3	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	157.6	-177	0	0	0	0	0	112.1	L52 S53 F54 M83 V84 L86	L52-A62 HydrophobicContact CD2-CB 3.31Å; L52-A62 HydrophobicContact CG-CB 4.01Å; S53-A62 CarbonylContact O-C 3.16Å; S53-A62 WeakPolarHBondContact O-CA 3.44Å; S53-A62 WeakPolarHBondContact O-CB 3.23Å; F54-A62 HydrophobicContact CD1-CB 3.95Å; F54-A62 HydrophobicContact CE1-CB 4.2Å; F54-A62 HydrophobicContact CG-CB 4.19Å; A62-M83 CarbonylContact O-C 3.53Å; A62-M83 WeakPolarHBondContact O-CA 3.36Å; A62-V84 HydrophobicContact CB-CG2 4.29Å; A62-V84 PolarHBondContact N-O 3.03Å; A62-V84 VanDerWaalsContact O-CG2 3.26Å; A62-V84 WeakPolarHBondContact O-CG2 3.36Å; A62-V84 PolarHBondContact O-N 3.02Å; A62-L86 HydrophobicContact CB-CD1 3.98Å
63	C	96.1	Very high	93.5	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	113.5	167.1	-176.6	0	0	0	0	109.1	L52 S53 R82 Y245 L246	L52-C63 WeakPolarHBondContact CA-O 3.23Å; S53-C63 PolarHBondContact N-O 3.13Å; S53-C63 PolarHBondContact O-N 3.17Å; C63-R82 CarbonylContact C-O 3.59Å; C63-R82 WeakPolarHBondContact CA-O 3.06Å; C63-Y245 HydrophobicContact CB-CD1 4.14Å; C63-Y245 VanDerWaalsContact SG-CD1 3.57Å; C63-L246 HydrophobicContact CB-CD2 3.78Å; C63-L246 HydrophobicContact CB-CG 3.94Å
64	A	97.1	Very high	93.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	124.8	164.8	0	0	0	0	0	108.7	L52 R82 V84 F102 L103	L52-A64 HydrophobicContact CD1-CB 4.38Å; A64-R82 PolarHBondContact N-O 3.47Å; A64-R82 PolarHBondContact O-N 2.84Å; A64-V84 HydrophobicContact CB-CG1 4.04Å; A64-V84 HydrophobicContact CB-CG2 4.04Å; A64-F102 HydrophobicContact CB-CB 4.08Å; A64-L103 HydrophobicContact CB-CD2 4.37Å
65	Q	98.2	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.5	-177.1	-177.3	71.7	49.8	0	0	110.9	V50 D51 V67 D80 S81 A238 R241	V50-Q65 VanDerWaalsContact CA-O 3.25Å; V50-Q65 WeakPolarHBondContact CA-O 3.37Å; D51-Q65 HydrophobicContact CB-CB 4.5Å; D51-Q65 PolarHBondContact N-O 2.91Å; D51-Q65 VanDerWaalsContact N-O 3.1Å; D51-Q65 PolarHBondContact O-N 3.08Å; Q65-V67 HydrophobicContact CG-CG1 4.32Å; Q65-D80 WeakPolarHBondContact CA-O 3.24Å; Q65-D80 PolarHBondContact NE2-O 3.24Å; Q65-D80 VanDerWaalsContact NE2-O 3.13Å; Q65-S81 VanDerWaalsContact CD-OG 3.29Å; Q65-S81 PolarHBondContact NE2-OG 3.43Å; Q65-S81 VanDerWaalsContact OE1-CB 3.31Å; Q65-S81 PolarHBondContact OE1-OG 3.07Å; Q65-A238 HydrophobicContact CG-CB 4.04Å; Q65-A238 WeakPolarHBondContact CG-O 3.2Å; Q65-R241 HydrophobicContact CG-CB 4.17Å
66	L	98.8	Very high	94.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	139.4	163.6	173.6	62.7	0	0	0	109.1	V50 Y78 E79 D80 A106 L107 L110	V50-L66 HydrophobicContact CG1-CD1 3.69Å; L66-Y78 HydrophobicContact CD2-CE1 4.06Å; L66-Y78 HydrophobicContact CG-CE1 4.35Å; L66-E79 WeakPolarHBondContact O-CA 3.42Å; L66-D80 PolarHBondContact N-O 3.24Å; L66-D80 PolarHBondContact O-N 2.87Å; L66-A106 HydrophobicContact CB-CB 3.94Å; L66-A106 HydrophobicContact CD2-CB 4.17Å; L66-A106 WeakPolarHBondContact CD2-O 3.48Å; L66-L107 HydrophobicContact CD1-CD2 3.82Å; L66-L107 HydrophobicContact CD2-CD2 3.99Å; L66-L110 HydrophobicContact CD2-CB 3.95Å; L66-L110 HydrophobicContact CD2-CD2 3.88Å
67	V	98.8	Very high	95.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	149.5	165.6	-63.2	0	0	0	0	109.9	G48 G49 Q65 L69 Y78 E79 P234 Q237 A238 R241	G48-V67 CarbonylContact C-O 3.55Å; G48-V67 VanDerWaalsContact CA-O 3.28Å; G48-V67 WeakPolarHBondContact CA-O 3.35Å; G49-V67 PolarHBondContact N-O 2.82Å; G49-V67 WeakPolarHBondContact O-CG2 3.3Å; G49-V67 PolarHBondContact O-N 3.39Å; Q65-V67 HydrophobicContact CG-CG1 4.32Å; V67-L69 HydrophobicContact CB-CD1 4Å; V67-L69 HydrophobicContact CG2-CD1 3.64Å; V67-Y78 CarbonylContact C-O 3.56Å; V67-Y78 VanDerWaalsContact CA-O 3.3Å; V67-Y78 WeakPolarHBondContact CA-O 3.14Å; V67-E79 HydrophobicContact CG1-CB 4.27Å; V67-P234 VanDerWaalsContact CG2-O 3.32Å; V67-P234 WeakPolarHBondContact CG2-O 3.48Å; V67-Q237 HydrophobicContact CG1-CB 4.5Å; V67-Q237 HydrophobicContact CG2-CB 4.2Å; V67-A238 HydrophobicContact CG2-CB 4.12Å; V67-R241 VanDerWaalsContact CG1-CD 3.47Å
68	V	98.9	Very high	96.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	131.3	165.9	-175.5	0	0	0	0	108.4	R46 L77 Y78 L110 L117 P119	R46-V68 HydrophobicContact CB-CG1 3.89Å; R46-V68 HydrophobicContact CG-CG1 4.14Å; V68-L77 PolarHBondContact O-N 2.91Å; V68-Y78 HydrophobicContact CG2-CD1 4.26Å; V68-Y78 PolarHBondContact N-O 2.89Å; V68-Y78 PolarHBondContact O-N 3.47Å; V68-L110 HydrophobicContact CG2-CD2 3.63Å; V68-L117 WeakPolarHBondContact CG1-O 3.45Å; V68-P119 HydrophobicContact CG1-CB 4.34Å; V68-P119 HydrophobicContact CG2-CB 4.43Å; V68-P119 HydrophobicContact CG2-CG 4.34Å
69	L	98.9	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148.4	176.4	-72.6	67.2	0	0	0	109.7	R46 V47 V67 L74 K75 V76 E233 P234 Q237	R46-L69 WeakPolarHBondContact CA-O 3.49Å; V47-L69 HydrophobicContact CG2-CB 4.04Å; V47-L69 PolarHBondContact N-O 2.96Å; V47-L69 PolarHBondContact O-N 3.22Å; V67-L69 HydrophobicContact CB-CD1 4Å; V67-L69 HydrophobicContact CG2-CD1 3.64Å; L69-L74 HydrophobicContact CD2-CB 4.16Å; L69-K75 CarbonylContact C-O 3.59Å; L69-K75 WeakPolarHBondContact CA-O 3.11Å; L69-V76 HydrophobicContact CD1-CG2 4.16Å; L69-V76 HydrophobicContact CG-CG2 4.06Å; L69-E233 HydrophobicContact CD2-CB 3.75Å; L69-P234 HydrophobicContact CD1-CB 4.47Å; L69-P234 HydrophobicContact CD2-CG 4.35Å; L69-Q237 HydrophobicContact CD1-CB 4.38Å; L69-Q237 HydrophobicContact CD1-CG 4.48Å; L69-Q237 HydrophobicContact CD2-CG 4.15Å
70	S	98.8	Very high	97.4	Very high	20 Å²	20	34.8 Å²	34.8	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	151.8	164.9	63.6	0	0	0	0	110.8	E45 D73 L74 K75	E45-S70 CarbonylContact O-C 3.59Å; E45-S70 WeakPolarHBondContact O-CA 3.33Å; S70-D73 WeakPolarHBondContact OG-CB 3.33Å; S70-L74 WeakPolarHBondContact O-CA 3.27Å; S70-L74 PolarHBondContact O-N 3.27Å; S70-K75 PolarHBondContact N-O 2.88Å; S70-K75 PolarHBondContact OG-N 2.84Å; S70-K75 PolarHBondContact OG-O 2.94Å
71	Y	98.8	Very high	97.8	Very high	30 Å²	30	33.1 Å²	33.1	12%	0.118	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	139.5	171.4	-174.9	-87.5	0	0	0	109.3	F41 L44 E45 V47 D73 L74 L222 L225	F41-Y71 HydrophobicContact CB-CE1 4.11Å; L44-Y71 HydrophobicContact CB-CD1 3.96Å; L44-Y71 HydrophobicContact CB-CE1 4.3Å; L44-Y71 HydrophobicContact CD2-CD1 3.86Å; L44-Y71 HydrophobicContact CD2-CD2 3.98Å; L44-Y71 HydrophobicContact CD2-CE1 4.03Å; L44-Y71 HydrophobicContact CD2-CE2 4.15Å; L44-Y71 HydrophobicContact CD2-CG 3.83Å; L44-Y71 HydrophobicContact CG-CD1 3.84Å; L44-Y71 HydrophobicContact CG-CE1 4.39Å; L44-Y71 HydrophobicContact CG-CG 3.92Å; L44-Y71 WeakPolarHBondContact O-CD1 3.34Å; E45-Y71 PolarHBondContact O-N 3.23Å; V47-Y71 HydrophobicContact CG1-CD2 4.14Å; V47-Y71 HydrophobicContact CG1-CG 4.5Å; Y71-D73 VanDerWaalsContact C-N 3.32Å; Y71-L74 HydrophobicContact CD2-CD2 4.41Å; Y71-L222 HydrophobicContact CE2-CD1 3.85Å; Y71-L225 WeakPolarHBondContact OH-CD1 3.46Å
72	P	98.3	Very high	98	Very high	95 Å²	95	37 Å²	37	62%	0.617	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.1	1.8	-0.1	35.7	-37	0	0	0	113.9	L74	P72-L74 VanDerWaalsContact C-N 3.27Å; P72-L74 PolarHBondContact O-N 3.33Å
73	D	98.4	Very high	98.1	Very high	78 Å²	78	39.5 Å²	39.5	42%	0.417	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-17.4	-171.7	-97.5	9.2	0	0	0	114.8	S70 Y71 K75 R228	S70-D73 WeakPolarHBondContact OG-CB 3.33Å; Y71-D73 VanDerWaalsContact C-N 3.32Å; D73-K75 HydrophobicContact CB-CD 4.19Å; D73-K75 HydrophobicContact CB-CG 4.24Å; D73-K75 PolarHBondContact O-N 2.86Å; D73-K75 VanDerWaalsContact O-N 3.13Å; D73-K75 IonicContact OD2-NZ 2.84Å; D73-K75 PolarHBondContact OD2-NZ 3.49Å; D73-R228 PolarHBondContact O-NH2 3.05Å
74	L	98.6	Very high	98.1	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	20%	0.202	C	C	.	.			trans	47.8	42.7	-179.7	-53.7	174.7	0	0	0	112.4	V47 L69 S70 Y71 P72 C226 R228 E233	V47-L74 HydrophobicContact CG2-CD2 4.13Å; L69-L74 HydrophobicContact CD2-CB 4.16Å; S70-L74 WeakPolarHBondContact O-CA 3.27Å; S70-L74 PolarHBondContact O-N 3.27Å; Y71-L74 HydrophobicContact CD2-CD2 4.41Å; P72-L74 VanDerWaalsContact C-N 3.27Å; P72-L74 PolarHBondContact O-N 3.33Å; L74-C226 HydrophobicContact CD2-CB 4.42Å; L74-R228 HydrophobicContact CD1-CG 4.24Å; L74-R228 PolarHBondContact O-NH1 3.27Å; L74-R228 VanDerWaalsContact O-NH1 3.1Å; L74-E233 HydrophobicContact CB-CB 4.16Å; L74-E233 HydrophobicContact CB-CG 4.18Å; L74-E233 HydrophobicContact CD1-CB 4.05Å; L74-E233 HydrophobicContact CD1-CG 3.85Å; L74-E233 HydrophobicContact CG-CB 4.46Å
75	K	98.6	Very high	97.9	Very high	121 Å²	121	43.5 Å²	43.5	53%	0.526	22%	0.222	S	C	.	.			trans	-98.8	134.5	173.6	-66.7	169.3	-178.2	152.8	0	108.5	L69 S70 D73 L77	L69-K75 CarbonylContact C-O 3.59Å; L69-K75 WeakPolarHBondContact CA-O 3.11Å; S70-K75 PolarHBondContact N-O 2.88Å; S70-K75 PolarHBondContact OG-N 2.84Å; S70-K75 PolarHBondContact OG-O 2.94Å; D73-K75 HydrophobicContact CB-CD 4.19Å; D73-K75 HydrophobicContact CB-CG 4.24Å; D73-K75 PolarHBondContact O-N 2.86Å; D73-K75 VanDerWaalsContact O-N 3.13Å; D73-K75 IonicContact OD2-NZ 2.84Å; D73-K75 PolarHBondContact OD2-NZ 3.49Å; K75-L77 PolarHBondContact O-N 2.82Å
76	V	98.7	Very high	97.5	Very high	46 Å²	46	43.7 Å²	43.7	28%	0.279	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	125.6	179.5	-178.9	0	0	0	0	109.5	L69 Y78 Q237	L69-V76 HydrophobicContact CD1-CG2 4.16Å; L69-V76 HydrophobicContact CG-CG2 4.06Å; V76-Y78 WeakPolarHBondContact CG1-O 3.25Å; V76-Q237 HydrophobicContact CG2-CB 4.37Å; V76-Q237 HydrophobicContact CG2-CG 4.03Å
77	L	98.8	Very high	96.8	Very high	80 Å²	80	49.9 Å²	49.9	42%	0.419	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-31.3	176.7	-59.6	178.3	0	0	0	111.6	R46 V68 K75 L117	R46-L77 HydrophobicContact CG-CD1 4.12Å; V68-L77 PolarHBondContact O-N 2.91Å; K75-L77 PolarHBondContact O-N 2.82Å; L77-L117 HydrophobicContact CB-CD2 4.44Å; L77-L117 HydrophobicContact CD1-CD2 4.44Å
78	Y	98.8	Very high	96.2	Very high	26 Å²	26	51 Å²	51	10%	0.102	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.9	-176.9	179.6	-93.7	0	0	0	110.9	L66 V67 V68 V76 D80 L110 L117	L66-Y78 HydrophobicContact CD2-CE1 4.06Å; L66-Y78 HydrophobicContact CG-CE1 4.35Å; V67-Y78 CarbonylContact C-O 3.56Å; V67-Y78 VanDerWaalsContact CA-O 3.3Å; V67-Y78 WeakPolarHBondContact CA-O 3.14Å; V68-Y78 HydrophobicContact CG2-CD1 4.26Å; V68-Y78 PolarHBondContact N-O 2.89Å; V68-Y78 PolarHBondContact O-N 3.47Å; V76-Y78 WeakPolarHBondContact CG1-O 3.25Å; Y78-D80 HydrophobicContact CE1-CB 3.7Å; Y78-D80 WeakPolarHBondContact OH-CB 3.1Å; Y78-L110 HydrophobicContact CD1-CD1 3.95Å; Y78-L110 HydrophobicContact CD1-CD2 4.3Å; Y78-L110 HydrophobicContact CD2-CD1 3.91Å; Y78-L110 HydrophobicContact CE1-CB 4.18Å; Y78-L110 HydrophobicContact CE1-CD1 3.89Å; Y78-L110 HydrophobicContact CE1-CD2 4.38Å; Y78-L110 HydrophobicContact CE1-CG 4.37Å; Y78-L110 HydrophobicContact CE2-CD1 3.83Å; Y78-L110 HydrophobicContact CG-CD1 3.95Å; Y78-L117 HydrophobicContact CD2-CD1 4.44Å
79	E	98.2	Very high	95.5	Very high	104 Å²	104	53.2 Å²	53.2	49%	0.486	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	139.2	171.4	59.8	-171	-134	0	0	110.2	L66 V67 R241	L66-E79 WeakPolarHBondContact O-CA 3.42Å; V67-E79 HydrophobicContact CG1-CB 4.27Å; E79-R241 IonicContact OE2-CZ 3.51Å; E79-R241 IonicContact OE2-NE 2.77Å; E79-R241 PolarHBondContact OE2-NE 3.05Å; E79-R241 IonicContact OE2-NH2 2.8Å; E79-R241 PolarHBondContact OE2-NH2 3.38Å
80	D	98.1	Very high	94.8	Very high	15 Å²	15	59.7 Å²	59.7	8%	0.08	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	123.1	170.4	-178.3	27.4	0	0	0	109.1	Q65 L66 Y78 R82 R109	Q65-D80 WeakPolarHBondContact CA-O 3.24Å; Q65-D80 PolarHBondContact NE2-O 3.24Å; Q65-D80 VanDerWaalsContact NE2-O 3.13Å; L66-D80 PolarHBondContact N-O 3.24Å; L66-D80 PolarHBondContact O-N 2.87Å; Y78-D80 HydrophobicContact CE1-CB 3.7Å; Y78-D80 WeakPolarHBondContact OH-CB 3.1Å; D80-R82 IonicContact OD1-CZ 3.52Å; D80-R82 IonicContact OD1-NE 3.48Å; D80-R82 PolarHBondContact OD1-NE 3.42Å; D80-R82 VanDerWaalsContact OD1-NE 3.14Å; D80-R82 IonicContact OD1-NH2 2.74Å; D80-R109 IonicContact OD2-CZ 3.31Å; D80-R109 VanDerWaalsContact OD2-CZ 3.31Å; D80-R109 IonicContact OD2-NE 3.47Å; D80-R109 PolarHBondContact OD2-NE 2.94Å; D80-R109 IonicContact OD2-NH2 2.84Å; D80-R109 PolarHBondContact OD2-NH2 2.7Å
81	S	97.6	Very high	94.1	Very high	26 Å²	26	60 Å²	60	18%	0.182	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.9	-179.4	-49.6	0	0	0	0	108.7	Q65 Y245	Q65-S81 VanDerWaalsContact CD-OG 3.29Å; Q65-S81 PolarHBondContact NE2-OG 3.43Å; Q65-S81 VanDerWaalsContact OE1-CB 3.31Å; Q65-S81 PolarHBondContact OE1-OG 3.07Å; S81-Y245 VanDerWaalsContact CB-CD2 3.43Å
82	R	96.3	Very high	93.3	Very high	129 Å²	129	62.3 Å²	62.3	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.7	177.7	-64.7	-63.5	173.7	161.6	0.7	111.4	C63 A64 D80 V84	C63-R82 CarbonylContact C-O 3.59Å; C63-R82 WeakPolarHBondContact CA-O 3.06Å; A64-R82 PolarHBondContact N-O 3.47Å; A64-R82 PolarHBondContact O-N 2.84Å; D80-R82 IonicContact OD1-CZ 3.52Å; D80-R82 IonicContact OD1-NE 3.48Å; D80-R82 PolarHBondContact OD1-NE 3.42Å; D80-R82 VanDerWaalsContact OD1-NE 3.14Å; D80-R82 IonicContact OD1-NH2 2.74Å; R82-V84 HydrophobicContact CB-CG1 4.41Å
83	M	96	Very high	92.7	Very high	51 Å²	51	58.1 Å²	58.1	25%	0.251	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	131.8	164.4	-170.7	52.3	52.5	0	0	109.2	I55 N61 A62 Y245 L246 F250	I55-M83 HydrophobicContact CD1-CE 4.35Å; I55-M83 HydrophobicContact CD1-SD 4.31Å; N61-M83 HydrophobicContact CB-SD 4.24Å; A62-M83 CarbonylContact O-C 3.53Å; A62-M83 WeakPolarHBondContact O-CA 3.36Å; M83-Y245 HydrophobicContact CB-CE1 4.24Å; M83-Y245 HydrophobicContact CE-CD1 4.32Å; M83-Y245 HydrophobicContact CE-CE1 3.98Å; M83-L246 HydrophobicContact CE-CD2 3.22Å; M83-F250 HydrophobicContact CB-CE2 4.4Å; M83-F250 HydrophobicContact CB-CZ 4.37Å; M83-F250 HydrophobicContact CE-CD2 3.42Å; M83-F250 VanDerWaalsContact CE-CD2 3.42Å; M83-F250 HydrophobicContact CE-CE1 4.49Å; M83-F250 HydrophobicContact CE-CE2 3.11Å; M83-F250 HydrophobicContact CE-CG 4.28Å; M83-F250 HydrophobicContact CE-CZ 3.71Å; M83-F250 HydrophobicContact CG-CE2 4.1Å; M83-F250 HydrophobicContact CG-CZ 3.79Å; M83-F250 HydrophobicContact SD-CE2 4.17Å; M83-F250 HydrophobicContact SD-CZ 4.19Å
84	V	94.8	Very high	92.3	Very high	15 Å²	15	54.6 Å²	54.6	9%	0.091	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153.2	-179.4	-62.4	0	0	0	0	110.2	L52 N61 A62 A64 R82 L86 F102	L52-V84 HydrophobicContact CD1-CG2 4.44Å; N61-V84 WeakPolarHBondContact CA-O 3.48Å; A62-V84 HydrophobicContact CB-CG2 4.29Å; A62-V84 PolarHBondContact N-O 3.03Å; A62-V84 VanDerWaalsContact O-CG2 3.26Å; A62-V84 WeakPolarHBondContact O-CG2 3.36Å; A62-V84 PolarHBondContact O-N 3.02Å; A64-V84 HydrophobicContact CB-CG1 4.04Å; A64-V84 HydrophobicContact CB-CG2 4.04Å; R82-V84 HydrophobicContact CB-CG1 4.41Å; V84-L86 HydrophobicContact CG2-CD1 3.79Å; V84-F102 HydrophobicContact CB-CB 4.47Å; V84-F102 HydrophobicContact CB-CD1 3.68Å; V84-F102 HydrophobicContact CB-CD2 4.26Å; V84-F102 HydrophobicContact CB-CE1 3.89Å; V84-F102 HydrophobicContact CB-CE2 4.45Å; V84-F102 HydrophobicContact CB-CG 3.87Å; V84-F102 HydrophobicContact CB-CZ 4.27Å; V84-F102 HydrophobicContact CG1-CB 4.08Å; V84-F102 HydrophobicContact CG1-CD1 3.54Å; V84-F102 HydrophobicContact CG1-CE1 4.14Å; V84-F102 HydrophobicContact CG1-CG 3.86Å; V84-F102 HydrophobicContact CG2-CB 4.34Å; V84-F102 HydrophobicContact CG2-CD1 4.32Å; V84-F102 HydrophobicContact CG2-CD2 4.09Å; V84-F102 HydrophobicContact CG2-CG 3.98Å
85	T	93.3	Very high	91.7	Very high	71 Å²	71	57.2 Å²	57.2	44%	0.436	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	111.1	-179.7	-58.6	0	0	0	0	108.5	V60 N61 T87 F102	V60-T85 HydrophobicContact CG1-CG2 3.59Å; N61-T85 PolarHBondContact OD1-OG1 2.87Å; N61-T85 VanDerWaalsContact OD1-OG1 3.04Å; T85-T87 HydrophobicContact CG2-CG2 4.41Å; T85-T87 PolarHBondContact O-N 3.06Å; T85-T87 VanDerWaalsContact O-N 3.12Å; T85-F102 WeakPolarHBondContact O-CZ 3.49Å
86	L	89.6	Confident	91.3	Very high	4 Å²	4	51.7 Å²	51.7	2%	0.021	28%	0.277	C	S	.	.			trans	-79.9	93.2	-177.8	-79.7	66.3	0	0	0	109.8	L52 F54 V60 A62 V84 R98 F102	L52-L86 HydrophobicContact CD2-CD1 4.14Å; L52-L86 HydrophobicContact CD2-CD2 3.98Å; F54-L86 HydrophobicContact CE1-CD2 3.69Å; F54-L86 HydrophobicContact CZ-CD2 3.57Å; V60-L86 WeakPolarHBondContact O-CB 3.49Å; V60-L86 PolarHBondContact O-N 3.39Å; A62-L86 HydrophobicContact CB-CD1 3.98Å; V84-L86 HydrophobicContact CG2-CD1 3.79Å; L86-R98 HydrophobicContact CD2-CB 3.7Å; L86-R98 HydrophobicContact CG-CB 4.19Å; L86-F102 HydrophobicContact CD1-CD2 4.16Å; L86-F102 HydrophobicContact CD1-CE2 3.87Å; L86-F102 HydrophobicContact CG-CD2 4.41Å; L86-F102 HydrophobicContact CG-CE2 3.91Å
87	T	85.4	Confident	90.9	Very high	129 Å²	129	51 Å²	51	79%	0.791	27%	0.27	S	S	*	.			trans	-78.7	-21.3	-178.9	54.5	0	0	0	0	113.8	T85	T85-T87 HydrophobicContact CG2-CG2 4.41Å; T85-T87 PolarHBondContact O-N 3.06Å; T85-T87 VanDerWaalsContact O-N 3.12Å
88	A	85.1	Confident	90.6	Very high	24 Å²	24	47.8 Å²	47.8	20%	0.198	25%	0.253	C	S	.	.	S	Bend	trans	-71.3	140.7	175.4	0	0	0	0	0	111.2	W16 R98	W16-A88 HydrophobicContact CH2-CB 4.19Å; W16-A88 HydrophobicContact CZ2-CB 4.11Å; A88-R98 HydrophobicContact CB-CG 3.98Å; A88-R98 PolarHBondContact O-NE 3.48Å
89	P	84.6	Confident	90.3	Very high	47 Å²	47	47.5 Å²	47.5	31%	0.305	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-67	150.4	-177.9	26.9	-34.3	0	0	0	112.3	P8 L12 W16 V91	P8-P89 HydrophobicContact CB-CB 4.26Å; P8-P89 HydrophobicContact CB-CG 3.95Å; P8-P89 HydrophobicContact CG-CB 4.4Å; P8-P89 HydrophobicContact CG-CG 4.49Å; L12-P89 HydrophobicContact CD2-CG 3.66Å; W16-P89 HydrophobicContact CH2-CG 3.85Å; W16-P89 HydrophobicContact CZ3-CG 4.46Å; P89-V91 PolarHBondContact O-N 2.92Å
90	Y	84.3	Confident	90.1	Very high	136 Å²	136	42.6 Å²	42.6	53%	0.533	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-75.2	116.8	172.9	-179.3	-97.6	0	0	0	110.9	L95	Y90-L95 HydrophobicContact CD2-CD1 4.44Å; Y90-L95 HydrophobicContact CE2-CD1 4.36Å
91	V	84.9	Confident	90	Very high	25 Å²	25	45.1 Å²	45.1	15%	0.152	25%	0.247	C	C	.	.			trans	-133.3	124	172.7	-168.4	0	0	0	0	108.8	P8 W16 P89 G93 F94	P8-V91 HydrophobicContact CB-CG2 4.12Å; P8-V91 HydrophobicContact CG-CG2 3.29Å; W16-V91 HydrophobicContact CZ3-CB 4.21Å; W16-V91 HydrophobicContact CZ3-CG2 3.84Å; P89-V91 PolarHBondContact O-N 2.92Å; V91-G93 PolarHBondContact O-N 3.36Å; V91-F94 HydrophobicContact CB-CB 4.15Å; V91-F94 HydrophobicContact CB-CD2 3.75Å; V91-F94 HydrophobicContact CB-CG 4.34Å; V91-F94 HydrophobicContact CG1-CD2 3.44Å; V91-F94 VanDerWaalsContact CG1-CD2 3.44Å; V91-F94 HydrophobicContact CG1-CE2 3.85Å; V91-F94 HydrophobicContact CG1-CG 4.44Å; V91-F94 PolarHBondContact O-N 3.21Å
92	S	82.1	Confident	90	Very high	79 Å²	79	45.9 Å²	45.9	55%	0.552	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	129.7	177.2	-61.9	0	0	0	0	111	F94	S92-F94 VanDerWaalsContact C-N 3.33Å; S92-F94 WeakPolarHBondContact O-CD2 3.42Å
93	G	85.4	Confident	90	Very high	8 Å²	8	39.9 Å²	39.9	8%	0.082	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	2.4	-175	0	0	0	0	0	115.4	Q20 V91 H131 R133	Q20-G93 PolarHBondContact NE2-O 3.5Å; V91-G93 PolarHBondContact O-N 3.36Å; G93-H131 PolarHBondContact O-CE1 2.92Å; G93-H131 VanDerWaalsContact O-CE1 3.27Å; G93-R133 PolarHBondContact O-NH1 2.9Å
94	F	88.7	Confident	90.1	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.018	22%	0.219	C	C	.	.			trans	-127.2	14.5	177.9	-59.6	-86.8	0	0	0	113.4	V13 W16 E17 V91 S92 A96 F97 R133	V13-F94 HydrophobicContact CG1-CE2 4.09Å; V13-F94 HydrophobicContact CG1-CZ 3.93Å; W16-F94 HydrophobicContact CB-CD1 3.55Å; W16-F94 HydrophobicContact CB-CE1 3.58Å; W16-F94 HydrophobicContact CD2-CD1 4.36Å; W16-F94 HydrophobicContact CE3-CB 3.58Å; W16-F94 AromaticContact CE3-CD1 3.85Å; W16-F94 HydrophobicContact CE3-CD1 3.85Å; W16-F94 HydrophobicContact CE3-CD2 4.5Å; W16-F94 AromaticContact CE3-CG 3.74Å; W16-F94 HydrophobicContact CE3-CG 3.74Å; W16-F94 HydrophobicContact CG-CD1 4.32Å; W16-F94 HydrophobicContact CZ3-CB 3.83Å; W16-F94 HydrophobicContact CZ3-CG 4.38Å; E17-F94 HydrophobicContact CG-CE1 3.75Å; E17-F94 HydrophobicContact CG-CZ 3.46Å; E17-F94 VanDerWaalsContact CG-CZ 3.46Å; V91-F94 HydrophobicContact CB-CB 4.15Å; V91-F94 HydrophobicContact CB-CD2 3.75Å; V91-F94 HydrophobicContact CB-CG 4.34Å; V91-F94 HydrophobicContact CG1-CD2 3.44Å; V91-F94 VanDerWaalsContact CG1-CD2 3.44Å; V91-F94 HydrophobicContact CG1-CE2 3.85Å; V91-F94 HydrophobicContact CG1-CG 4.44Å; V91-F94 PolarHBondContact O-N 3.21Å; S92-F94 VanDerWaalsContact C-N 3.33Å; S92-F94 WeakPolarHBondContact O-CD2 3.42Å; F94-A96 PolarHBondContact O-N 2.94Å; F94-F97 HydrophobicContact CB-CD2 4Å; F94-F97 AromaticContact CD1-CD2 3.99Å; F94-F97 HydrophobicContact CD1-CD2 3.99Å; F94-F97 AromaticContact CD1-CE2 3.8Å; F94-F97 HydrophobicContact CD1-CE2 3.8Å; F94-F97 PolarHBondContact O-N 3.36Å; F94-R133 VanDerWaalsContact CZ-NH1 3.26Å
95	L	87.1	Confident	90.3	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-51.8	-35.8	-179.9	-176	60.7	0	0	0	112.6	Y90 F97 R98 E99	Y90-L95 HydrophobicContact CD2-CD1 4.44Å; Y90-L95 HydrophobicContact CE2-CD1 4.36Å; L95-F97 PolarHBondContact O-N 3.31Å; L95-F97 VanDerWaalsContact O-N 3.16Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.48Å; L95-E99 HydrophobicContact CD1-CG 4.2Å; L95-E99 WeakPolarHBondContact CD1-OE1 3.42Å; L95-E99 WeakPolarHBondContact CD2-OE1 3.46Å; L95-E99 HydrophobicContact CG-CG 4.15Å; L95-E99 VanDerWaalsContact CG-OE1 3.23Å; L95-E99 WeakPolarHBondContact CG-OE1 3.35Å; L95-E99 PolarHBondContact O-N 2.77Å
96	A	89.4	Confident	90.5	Very high	4 Å²	4	39 Å²	39	3%	0.033	22%	0.215	C	C	.	.	H	α-helix	trans	-56.3	-31.4	177.3	0	0	0	0	0	113.9	F94 R98 E99 T100 V137 H140	F94-A96 PolarHBondContact O-N 2.94Å; A96-R98 PolarHBondContact O-N 2.97Å; A96-E99 PolarHBondContact O-N 3.49Å; A96-T100 WeakPolarHBondContact O-CB 3.43Å; A96-T100 PolarHBondContact O-N 2.89Å; A96-T100 PolarHBondContact O-OG1 3.5Å; A96-V137 HydrophobicContact CB-CB 4.04Å; A96-V137 HydrophobicContact CB-CG2 4.39Å; A96-H140 HydrophobicContact CB-CB 4.01Å; A96-H140 WeakPolarHBondContact CB-ND1 3.25Å
97	F	91.2	Very high	90.9	Very high	31 Å²	31	39.4 Å²	39.4	14%	0.136	22%	0.217	C	C	.	.	H	α-helix	trans	-68.9	-23	176.1	-73.6	-83.1	0	0	0	113	W16 E19 Q20 F94 L95 H140	W16-F97 HydrophobicContact CB-CD2 4.12Å; W16-F97 HydrophobicContact CB-CE1 4.39Å; W16-F97 HydrophobicContact CB-CE2 3.65Å; W16-F97 HydrophobicContact CB-CZ 3.8Å; W16-F97 AromaticContact CD1-CD1 3.69Å; W16-F97 AromaticContact CD1-CE1 3.68Å; W16-F97 AromaticContact CD1-CG 4Å; W16-F97 AromaticContact CD1-CZ 3.99Å; W16-F97 HydrophobicContact CD2-CB 4.27Å; W16-F97 HydrophobicContact CD2-CD1 4.39Å; W16-F97 AromaticContact CD2-CD2 3.92Å; W16-F97 HydrophobicContact CD2-CD2 3.92Å; W16-F97 HydrophobicContact CD2-CE2 4.36Å; W16-F97 AromaticContact CD2-CG 3.93Å; W16-F97 HydrophobicContact CD2-CG 3.93Å; W16-F97 AromaticContact CE2-CG 3.89Å; W16-F97 HydrophobicContact CE3-CD2 4.27Å; W16-F97 HydrophobicContact CG-CD1 4.1Å; W16-F97 AromaticContact CG-CD2 3.87Å; W16-F97 HydrophobicContact CG-CD2 3.87Å; W16-F97 HydrophobicContact CG-CE1 4.07Å; W16-F97 AromaticContact CG-CE2 3.85Å; W16-F97 HydrophobicContact CG-CE2 3.85Å; W16-F97 AromaticContact CG-CG 4Å; W16-F97 HydrophobicContact CG-CG 4Å; W16-F97 AromaticContact CG-CZ 3.95Å; W16-F97 HydrophobicContact CG-CZ 3.95Å; W16-F97 HydrophobicContact CH2-CB 4.34Å; W16-F97 HydrophobicContact CZ2-CB 3.97Å; W16-F97 HydrophobicContact CZ2-CG 4.44Å; W16-F97 AromaticContact NE1-CD1 3.73Å; W16-F97 AromaticContact NE1-CG 3.93Å; W16-F97 WeakPolarHBondContact O-CZ 3.48Å; E19-F97 HydrophobicContact CB-CE1 4.24Å; E19-F97 HydrophobicContact CB-CZ 4.09Å; E19-F97 HydrophobicContact CG-CE1 4.01Å; E19-F97 HydrophobicContact CG-CZ 4.21Å; Q20-F97 HydrophobicContact CG-CE2 3.53Å; Q20-F97 HydrophobicContact CG-CZ 3.82Å; F94-F97 HydrophobicContact CB-CD2 4Å; F94-F97 AromaticContact CD1-CD2 3.99Å; F94-F97 HydrophobicContact CD1-CD2 3.99Å; F94-F97 AromaticContact CD1-CE2 3.8Å; F94-F97 HydrophobicContact CD1-CE2 3.8Å; F94-F97 PolarHBondContact O-N 3.36Å; L95-F97 PolarHBondContact O-N 3.31Å; L95-F97 VanDerWaalsContact O-N 3.16Å; F97-H140 AromaticContact CD1-CE1 3.99Å; F97-H140 AromaticContact CE1-CE1 3.93Å
98	R	91.9	Very high	91.5	Very high	14 Å²	14	37.9 Å²	37.9	5%	0.053	20%	0.201	C	C	.	.	H	α-helix	trans	-84.5	-37.1	175.7	-48.7	-178.3	71.8	-150.1	-0.3	111.5	E59 L86 A88 L95 A96 F102	E59-R98 PolarHBondContact O-NH1 2.87Å; E59-R98 PolarHBondContact O-NH2 2.99Å; L86-R98 HydrophobicContact CD2-CB 3.7Å; L86-R98 HydrophobicContact CG-CB 4.19Å; A88-R98 HydrophobicContact CB-CG 3.98Å; A88-R98 PolarHBondContact O-NE 3.48Å; L95-R98 WeakPolarHBondContact O-CB 3.48Å; L95-R98 PolarHBondContact O-N 3.48Å; A96-R98 PolarHBondContact O-N 2.97Å; R98-F102 VanDerWaalsContact O-CD2 3.23Å; R98-F102 WeakPolarHBondContact O-CD2 3.37Å; R98-F102 VanDerWaalsContact O-CE2 3.24Å; R98-F102 WeakPolarHBondContact O-CE2 3.42Å
99	E	92.2	Very high	92.2	Very high	20 Å²	20	39.4 Å²	39.4	9%	0.093	20%	0.201	C	C	.	.	H	α-helix	trans	-95.4	-44	-169	-61.6	-179.7	171.5	0	0	113.4	L52 L95 A96 P101 F102 L103 V137	L52-E99 HydrophobicContact CB-CG 4.49Å; L52-E99 HydrophobicContact CD1-CB 3.96Å; L52-E99 HydrophobicContact CD1-CG 4.02Å; L52-E99 HydrophobicContact CD2-CG 4.22Å; L52-E99 HydrophobicContact CG-CG 4.49Å; L95-E99 HydrophobicContact CD1-CG 4.2Å; L95-E99 WeakPolarHBondContact CD1-OE1 3.42Å; L95-E99 WeakPolarHBondContact CD2-OE1 3.46Å; L95-E99 HydrophobicContact CG-CG 4.15Å; L95-E99 VanDerWaalsContact CG-OE1 3.23Å; L95-E99 WeakPolarHBondContact CG-OE1 3.35Å; L95-E99 PolarHBondContact O-N 2.77Å; A96-E99 PolarHBondContact O-N 3.49Å; E99-P101 VanDerWaalsContact C-CD 3.45Å; E99-F102 PolarHBondContact O-N 2.83Å; E99-F102 VanDerWaalsContact O-N 3.15Å; E99-L103 PolarHBondContact O-N 2.91Å; E99-V137 HydrophobicContact CB-CG2 4.49Å
100	T	94.6	Very high	92.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-57.4	-40.8	-170.2	-50	0	0	0	0	113.7	A96 F102 L103 L104 H140 L141 L144	A96-T100 WeakPolarHBondContact O-CB 3.43Å; A96-T100 PolarHBondContact O-N 2.89Å; A96-T100 PolarHBondContact O-OG1 3.5Å; T100-F102 VanDerWaalsContact C-N 3.28Å; T100-F102 PolarHBondContact O-N 3.37Å; T100-L103 PolarHBondContact O-N 3.07Å; T100-L104 VanDerWaalsContact O-CB 3.27Å; T100-L104 WeakPolarHBondContact O-CB 3.31Å; T100-L104 PolarHBondContact O-N 3.32Å; T100-H140 HydrophobicContact CG2-CB 4.2Å; T100-L141 HydrophobicContact CG2-CB 4.13Å; T100-L141 HydrophobicContact CG2-CD1 4.12Å; T100-L144 HydrophobicContact CG2-CD1 3.97Å
101	P	95.9	Very high	93.5	Very high	69 Å²	69	36.5 Å²	36.5	45%	0.448	19%	0.189	S	C	.	.	H	α-helix	trans	-55.9	-42.3	178.9	-27.1	36.2	0	0	0	113.1	E99 E105	E99-P101 VanDerWaalsContact C-CD 3.45Å; P101-E105 WeakPolarHBondContact O-CB 3.46Å; P101-E105 PolarHBondContact O-N 3.4Å
102	F	96.9	Very high	94.1	Very high	42 Å²	42	41.2 Å²	41.2	18%	0.184	22%	0.218	C	C	.	.	H	α-helix	trans	-74.1	-36.5	-178.5	-58.4	-63.5	0	0	0	112.6	L52 A64 V84 T85 L86 R98 E99 T100 A106	L52-F102 HydrophobicContact CD1-CB 4.48Å; L52-F102 HydrophobicContact CD1-CD2 4.46Å; A64-F102 HydrophobicContact CB-CB 4.08Å; V84-F102 HydrophobicContact CB-CB 4.47Å; V84-F102 HydrophobicContact CB-CD1 3.68Å; V84-F102 HydrophobicContact CB-CD2 4.26Å; V84-F102 HydrophobicContact CB-CE1 3.89Å; V84-F102 HydrophobicContact CB-CE2 4.45Å; V84-F102 HydrophobicContact CB-CG 3.87Å; V84-F102 HydrophobicContact CB-CZ 4.27Å; V84-F102 HydrophobicContact CG1-CB 4.08Å; V84-F102 HydrophobicContact CG1-CD1 3.54Å; V84-F102 HydrophobicContact CG1-CE1 4.14Å; V84-F102 HydrophobicContact CG1-CG 3.86Å; V84-F102 HydrophobicContact CG2-CB 4.34Å; V84-F102 HydrophobicContact CG2-CD1 4.32Å; V84-F102 HydrophobicContact CG2-CD2 4.09Å; V84-F102 HydrophobicContact CG2-CG 3.98Å; T85-F102 WeakPolarHBondContact O-CZ 3.49Å; L86-F102 HydrophobicContact CD1-CD2 4.16Å; L86-F102 HydrophobicContact CD1-CE2 3.87Å; L86-F102 HydrophobicContact CG-CD2 4.41Å; L86-F102 HydrophobicContact CG-CE2 3.91Å; R98-F102 VanDerWaalsContact O-CD2 3.23Å; R98-F102 WeakPolarHBondContact O-CD2 3.37Å; R98-F102 VanDerWaalsContact O-CE2 3.24Å; R98-F102 WeakPolarHBondContact O-CE2 3.42Å; E99-F102 PolarHBondContact O-N 2.83Å; E99-F102 VanDerWaalsContact O-N 3.15Å; T100-F102 VanDerWaalsContact C-N 3.28Å; T100-F102 PolarHBondContact O-N 3.37Å; F102-A106 PolarHBondContact O-N 3.04Å; F102-A106 VanDerWaalsContact O-N 3.14Å
103	L	97.5	Very high	94.8	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	22%	0.215	C	C	.	.	H	α-helix	trans	-68.8	-39.5	175.4	-60.8	-176.1	0	0	0	111.5	V50 A64 E99 T100 A106 L107 V137 L141	V50-L103 HydrophobicContact CB-CD1 4.32Å; V50-L103 HydrophobicContact CB-CD2 4.11Å; V50-L103 HydrophobicContact CG2-CD1 4.05Å; A64-L103 HydrophobicContact CB-CD2 4.37Å; E99-L103 PolarHBondContact O-N 2.91Å; T100-L103 PolarHBondContact O-N 3.07Å; L103-A106 WeakPolarHBondContact O-CB 3.22Å; L103-A106 PolarHBondContact O-N 3.4Å; L103-L107 PolarHBondContact O-N 3.03Å; L103-V137 HydrophobicContact CD1-CG2 4.47Å; L103-L141 HydrophobicContact CB-CD1 3.97Å; L103-L141 HydrophobicContact CB-CD2 4.24Å; L103-L141 HydrophobicContact CD1-CD2 4.46Å
104	L	97.9	Very high	95.5	Very high	26 Å²	26	44.5 Å²	44.5	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-63.7	-43.9	174.8	-178.3	64.6	0	0	0	111	T100 A106 L107 Q108 L141 L144	T100-L104 VanDerWaalsContact O-CB 3.27Å; T100-L104 WeakPolarHBondContact O-CB 3.31Å; T100-L104 PolarHBondContact O-N 3.32Å; L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 2.96Å; L104-L107 PolarHBondContact O-N 2.78Å; L104-L107 VanDerWaalsContact O-N 3.14Å; L104-Q108 HydrophobicContact CG-CG 4.48Å; L104-Q108 WeakPolarHBondContact O-CG 3.47Å; L104-Q108 PolarHBondContact O-N 3.26Å; L104-L141 HydrophobicContact CB-CD1 4.17Å; L104-L144 HydrophobicContact CD1-CB 4.28Å; L104-L144 HydrophobicContact CD2-CB 3.93Å; L104-L144 HydrophobicContact CD2-CD1 4.22Å
105	E	97.9	Very high	95.9	Very high	91 Å²	91	48.2 Å²	48.2	43%	0.425	26%	0.255	S	S	.	.	H	α-helix	trans	-59.6	-38.7	176.3	-161.6	-163	137.8	0	0	111.4	P101 L107 Q108 R109	P101-E105 WeakPolarHBondContact O-CB 3.46Å; P101-E105 PolarHBondContact O-N 3.4Å; E105-L107 PolarHBondContact O-N 3.37Å; E105-Q108 PolarHBondContact O-N 2.93Å; E105-R109 VanDerWaalsContact CG-NH1 3.32Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 WeakPolarHBondContact O-CG 3.36Å; E105-R109 PolarHBondContact O-N 3.39Å; E105-R109 IonicContact OE1-CZ 2.72Å; E105-R109 IonicContact OE1-NH1 2.88Å; E105-R109 PolarHBondContact OE1-NH1 2.8Å; E105-R109 IonicContact OE2-NH1 3.31Å
106	A	98.1	Very high	96.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-61.8	-42.1	175	0	0	0	0	0	112.8	L66 F102 L103 L104 R109 L110	L66-A106 HydrophobicContact CB-CB 3.94Å; L66-A106 HydrophobicContact CD2-CB 4.17Å; L66-A106 WeakPolarHBondContact CD2-O 3.48Å; F102-A106 PolarHBondContact O-N 3.04Å; F102-A106 VanDerWaalsContact O-N 3.14Å; L103-A106 WeakPolarHBondContact O-CB 3.22Å; L103-A106 PolarHBondContact O-N 3.4Å; L104-A106 VanDerWaalsContact C-N 3.26Å; L104-A106 PolarHBondContact O-N 2.96Å; A106-R109 VanDerWaalsContact CA-NH2 3.27Å; A106-L110 PolarHBondContact O-N 3.19Å
107	L	98.4	Very high	96.9	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.063	28%	0.28	C	S	.	.	H	α-helix	trans	-65.1	-43.2	174.8	-69.3	170	0	0	0	111.9	L66 L103 L104 E105 R109 L110 E111 P119 V122 L141 L147	L66-L107 HydrophobicContact CD1-CD2 3.82Å; L66-L107 HydrophobicContact CD2-CD2 3.99Å; L103-L107 PolarHBondContact O-N 3.03Å; L104-L107 PolarHBondContact O-N 2.78Å; L104-L107 VanDerWaalsContact O-N 3.14Å; E105-L107 PolarHBondContact O-N 3.37Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 3.26Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 3.35Å; L107-E111 PolarHBondContact O-N 3.29Å; L107-P119 HydrophobicContact CD2-CG 4.36Å; L107-V122 HydrophobicContact CD2-CG2 4.2Å; L107-L141 HydrophobicContact CD1-CD1 3.89Å; L107-L141 HydrophobicContact CD1-CD2 4.3Å; L107-L141 HydrophobicContact CD1-CG 4.19Å; L107-L147 HydrophobicContact CD1-CD1 4.24Å; L107-L147 HydrophobicContact CD2-CD1 4.23Å
108	Q	98.3	Very high	97.2	Very high	98 Å²	98	52.5 Å²	52.5	46%	0.458	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-39	178.3	-71.1	171.5	-16	0	0	112.3	L104 E105 E111 T112	L104-Q108 HydrophobicContact CG-CG 4.48Å; L104-Q108 WeakPolarHBondContact O-CG 3.47Å; L104-Q108 PolarHBondContact O-N 3.26Å; E105-Q108 PolarHBondContact O-N 2.93Å; Q108-E111 PolarHBondContact O-N 3.35Å; Q108-T112 PolarHBondContact O-N 3.28Å; Q108-T112 PolarHBondContact O-OG1 3.03Å
109	R	98.3	Very high	97.5	Very high	55 Å²	55	51.9 Å²	51.9	21%	0.208	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-43	173	-73.7	-169.6	-52.8	-92.6	-4.5	111.5	D80 E105 A106 L107 T112 S113	D80-R109 IonicContact OD2-CZ 3.31Å; D80-R109 VanDerWaalsContact OD2-CZ 3.31Å; D80-R109 IonicContact OD2-NE 3.47Å; D80-R109 PolarHBondContact OD2-NE 2.94Å; D80-R109 IonicContact OD2-NH2 2.84Å; D80-R109 PolarHBondContact OD2-NH2 2.7Å; E105-R109 VanDerWaalsContact CG-NH1 3.32Å; E105-R109 WeakPolarHBondContact O-CB 3.48Å; E105-R109 WeakPolarHBondContact O-CG 3.36Å; E105-R109 PolarHBondContact O-N 3.39Å; E105-R109 IonicContact OE1-CZ 2.72Å; E105-R109 IonicContact OE1-NH1 2.88Å; E105-R109 PolarHBondContact OE1-NH1 2.8Å; E105-R109 IonicContact OE2-NH1 3.31Å; A106-R109 VanDerWaalsContact CA-NH2 3.27Å; L107-R109 VanDerWaalsContact C-N 3.35Å; L107-R109 PolarHBondContact O-N 3.26Å; R109-T112 PolarHBondContact O-N 3.05Å; R109-S113 VanDerWaalsContact O-CB 3.26Å; R109-S113 WeakPolarHBondContact O-CB 3.28Å; R109-S113 PolarHBondContact O-N 3.19Å; R109-S113 PolarHBondContact O-OG 3.4Å
110	L	98.4	Very high	97.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.4	-49.1	174.9	169.5	60.8	0	0	0	111	L66 V68 Y78 A106 L107 T112 S113 Q114 L117 V118	L66-L110 HydrophobicContact CD2-CB 3.95Å; L66-L110 HydrophobicContact CD2-CD2 3.88Å; V68-L110 HydrophobicContact CG2-CD2 3.63Å; Y78-L110 HydrophobicContact CD1-CD1 3.95Å; Y78-L110 HydrophobicContact CD1-CD2 4.3Å; Y78-L110 HydrophobicContact CD2-CD1 3.91Å; Y78-L110 HydrophobicContact CE1-CB 4.18Å; Y78-L110 HydrophobicContact CE1-CD1 3.89Å; Y78-L110 HydrophobicContact CE1-CD2 4.38Å; Y78-L110 HydrophobicContact CE1-CG 4.37Å; Y78-L110 HydrophobicContact CE2-CD1 3.83Å; Y78-L110 HydrophobicContact CG-CD1 3.95Å; A106-L110 PolarHBondContact O-N 3.19Å; L107-L110 WeakPolarHBondContact O-CB 3.46Å; L107-L110 PolarHBondContact O-N 3.35Å; L110-T112 VanDerWaalsContact C-N 3.25Å; L110-T112 PolarHBondContact O-N 3.34Å; L110-S113 PolarHBondContact O-N 3.05Å; L110-Q114 HydrophobicContact CD1-CB 3.99Å; L110-Q114 CarbonylContact O-C 3.55Å; L110-Q114 VanDerWaalsContact O-C 3.29Å; L110-Q114 PolarHBondContact O-N 2.82Å; L110-L117 HydrophobicContact CD1-CB 4.11Å; L110-V118 HydrophobicContact CG-CG2 4.36Å
111	E	98	Very high	98.1	Very high	123 Å²	123	52.8 Å²	52.8	58%	0.575	29%	0.286	S	S	*	.	H	α-helix	trans	-57.3	-39.8	179.5	-175	173.6	-158.4	0	0	112.1	L107 Q108 P115 V118	L107-E111 PolarHBondContact O-N 3.29Å; Q108-E111 PolarHBondContact O-N 3.35Å; E111-P115 WeakPolarHBondContact O-CB 3.38Å; E111-P115 WeakPolarHBondContact O-CD 3.33Å; E111-V118 HydrophobicContact CB-CG2 4.07Å; E111-V118 HydrophobicContact CG-CG2 4.31Å
112	T	97.8	Very high	98.2	Very high	123 Å²	123	49.5 Å²	49.5	76%	0.755	27%	0.265	S	S	*	.	H	α-helix	trans	-74.2	-41.1	177.8	-55.8	0	0	0	0	112.6	Q108 R109 L110	Q108-T112 PolarHBondContact O-N 3.28Å; Q108-T112 PolarHBondContact O-OG1 3.03Å; R109-T112 PolarHBondContact O-N 3.05Å; L110-T112 VanDerWaalsContact C-N 3.25Å; L110-T112 PolarHBondContact O-N 3.34Å
113	S	97.9	Very high	98.3	Very high	72 Å²	72	47.5 Å²	47.5	50%	0.503	26%	0.256	S	S	.	.	H	α-helix	trans	-89.1	-36.6	-170.1	61.5	0	0	0	0	114.1	R109 L110	R109-S113 VanDerWaalsContact O-CB 3.26Å; R109-S113 WeakPolarHBondContact O-CB 3.28Å; R109-S113 PolarHBondContact O-N 3.19Å; R109-S113 PolarHBondContact O-OG 3.4Å; L110-S113 PolarHBondContact O-N 3.05Å
114	Q	98.2	Very high	98.4	Very high	84 Å²	84	47.6 Å²	47.6	39%	0.393	26%	0.257	S	S	.	.			trans	-144.4	66	-177.7	-57.2	-172.5	24.9	0	0	110.3	L110 T116 L117	L110-Q114 HydrophobicContact CD1-CB 3.99Å; L110-Q114 CarbonylContact O-C 3.55Å; L110-Q114 VanDerWaalsContact O-C 3.29Å; L110-Q114 PolarHBondContact O-N 2.82Å; Q114-T116 PolarHBondContact O-N 2.72Å; Q114-T116 VanDerWaalsContact O-N 3.08Å; Q114-L117 HydrophobicContact CB-CB 4.38Å; Q114-L117 HydrophobicContact CB-CD1 4.4Å; Q114-L117 HydrophobicContact CB-CG 4.43Å; Q114-L117 PolarHBondContact O-N 2.86Å
115	P	97.7	Very high	98.3	Very high	83 Å²	83	48.3 Å²	48.3	54%	0.539	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-57	-29.6	-173.8	19	-32.1	0	0	0	114	E111 L117 V118	E111-P115 WeakPolarHBondContact O-CB 3.38Å; E111-P115 WeakPolarHBondContact O-CD 3.33Å; P115-L117 PolarHBondContact O-N 2.95Å; P115-V118 WeakPolarHBondContact O-CG2 3.35Å; P115-V118 PolarHBondContact O-N 3.44Å
116	T	98.3	Very high	98.3	Very high	114 Å²	114	44.5 Å²	44.5	70%	0.699	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-68.5	-14.8	177.7	55.4	0	0	0	0	113.6	Q114	Q114-T116 PolarHBondContact O-N 2.72Å; Q114-T116 VanDerWaalsContact O-N 3.08Å
117	L	98.6	Very high	98.3	Very high	35 Å²	35	45.7 Å²	45.7	18%	0.183	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-102.6	4.7	177.9	-63.2	-170.3	0	0	0	113.4	V68 L77 Y78 L110 Q114 P115	V68-L117 WeakPolarHBondContact CG1-O 3.45Å; L77-L117 HydrophobicContact CB-CD2 4.44Å; L77-L117 HydrophobicContact CD1-CD2 4.44Å; Y78-L117 HydrophobicContact CD2-CD1 4.44Å; L110-L117 HydrophobicContact CD1-CB 4.11Å; Q114-L117 HydrophobicContact CB-CB 4.38Å; Q114-L117 HydrophobicContact CB-CD1 4.4Å; Q114-L117 HydrophobicContact CB-CG 4.43Å; Q114-L117 PolarHBondContact O-N 2.86Å; P115-L117 PolarHBondContact O-N 2.95Å
118	V	98.6	Very high	98.3	Very high	37 Å²	37	45.1 Å²	45.1	22%	0.224	25%	0.249	C	C	.	.			trans	-56.1	128.8	174.4	173.5	0	0	0	0	109.5	R46 L110 E111 P115 L147	R46-V118 PolarHBondContact NE-O 3.44Å; L110-V118 HydrophobicContact CG-CG2 4.36Å; E111-V118 HydrophobicContact CB-CG2 4.07Å; E111-V118 HydrophobicContact CG-CG2 4.31Å; P115-V118 WeakPolarHBondContact O-CG2 3.35Å; P115-V118 PolarHBondContact O-N 3.44Å; V118-L147 HydrophobicContact CG1-CD2 4.43Å
119	P	98.8	Very high	98.3	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.013	23%	0.228	C	C	.	.			trans	-72	147.6	-179.4	30.2	-35.3	0	0	0	111	V68 L107 V121 V122 L147	V68-P119 HydrophobicContact CG1-CB 4.34Å; V68-P119 HydrophobicContact CG2-CB 4.43Å; V68-P119 HydrophobicContact CG2-CG 4.34Å; L107-P119 HydrophobicContact CD2-CG 4.36Å; P119-V121 VanDerWaalsContact C-N 3.31Å; P119-V122 HydrophobicContact CB-CG2 4.47Å; P119-V122 HydrophobicContact CG-CG2 3.78Å; P119-L147 HydrophobicContact CG-CD1 4.49Å
120	Q	98.9	Very high	98.3	Very high	39 Å²	39	38 Å²	38	18%	0.182	22%	0.219	C	C	.	.	S	Bend	trans	-79.9	-18.3	174.9	-69.9	160.9	-90.5	0	0	112.4	W35 G43 L44 R46 P148	W35-Q120 HydrophobicContact CZ2-CB 4.46Å; G43-Q120 PolarHBondContact O-NE2 3.32Å; L44-Q120 HydrophobicContact CD1-CB 3.67Å; L44-Q120 HydrophobicContact CD1-CG 4.4Å; R46-Q120 VanDerWaalsContact N-OE1 3.14Å; R46-Q120 PolarHBondContact O-N 2.87Å; Q120-P148 VanDerWaalsContact O-CD 3.31Å; Q120-P148 WeakPolarHBondContact O-CD 3.28Å; Q120-P148 WeakPolarHBondContact O-CG 3.28Å
121	V	98.9	Very high	98.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	141.5	178.5	57.3	0	0	0	0	109.5	W35 L44 V47 G48 P119 F123 P148 V150 I214 L222	W35-V121 HydrophobicContact CH2-CB 3.78Å; W35-V121 HydrophobicContact CH2-CG1 3.86Å; W35-V121 HydrophobicContact CH2-CG2 4.27Å; W35-V121 HydrophobicContact CZ2-CB 4.01Å; W35-V121 HydrophobicContact CZ2-CG1 4.33Å; L44-V121 HydrophobicContact CD1-CG1 4.07Å; V47-V121 HydrophobicContact CB-CG1 4.37Å; V47-V121 HydrophobicContact CG1-CG1 3.76Å; G48-V121 PolarHBondContact N-O 2.9Å; P119-V121 VanDerWaalsContact C-N 3.31Å; V121-F123 HydrophobicContact CG1-CE2 4.49Å; V121-P148 CarbonylContact C-O 3.49Å; V121-P148 VanDerWaalsContact CA-O 3.28Å; V121-P148 WeakPolarHBondContact CA-O 3.37Å; V121-P148 HydrophobicContact CB-CB 4.08Å; V121-P148 HydrophobicContact CG2-CB 4.01Å; V121-P148 WeakPolarHBondContact CG2-O 3.42Å; V121-V150 HydrophobicContact CG2-CG2 4.18Å; V121-I214 HydrophobicContact CG2-CD1 4.48Å; V121-L222 HydrophobicContact CG1-CD2 3.72Å; V121-L222 HydrophobicContact CG2-CD2 4.23Å
122	V	98.9	Very high	98	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.1	-179.3	-176.3	0	0	0	0	110.7	V50 L107 P119 V124 L141 L147 P148 C149 V150	V50-V122 HydrophobicContact CG1-CG1 3.93Å; V50-V122 HydrophobicContact CG2-CG1 4Å; L107-V122 HydrophobicContact CD2-CG2 4.2Å; P119-V122 HydrophobicContact CB-CG2 4.47Å; P119-V122 HydrophobicContact CG-CG2 3.78Å; V122-V124 HydrophobicContact CG1-CG2 4.3Å; V122-L141 HydrophobicContact CG1-CD2 4.32Å; V122-L147 HydrophobicContact CG2-CD1 3.89Å; V122-P148 PolarHBondContact N-O 3.23Å; V122-C149 WeakPolarHBondContact O-CA 3.48Å; V122-V150 PolarHBondContact O-N 2.89Å
123	F	98.9	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.7	169.4	-74	-97.7	0	0	0	110.2	V47 G48 G49 V50 V121 V150 V152 L222 T223 C226 P232 P234 I235	V47-F123 HydrophobicContact CB-CD2 4.49Å; V47-F123 HydrophobicContact CB-CE2 4.31Å; V47-F123 HydrophobicContact CG1-CE2 4.36Å; G48-F123 PolarHBondContact O-N 3.3Å; G49-F123 WeakPolarHBondContact CA-O 3.41Å; V50-F123 PolarHBondContact N-O 2.74Å; V121-F123 HydrophobicContact CG1-CE2 4.49Å; F123-V150 HydrophobicContact CD1-CB 4.21Å; F123-V150 HydrophobicContact CD1-CG1 4.39Å; F123-V150 HydrophobicContact CE1-CB 4.25Å; F123-V150 HydrophobicContact CE1-CG1 4.27Å; F123-V152 HydrophobicContact CD1-CG2 3.81Å; F123-V152 HydrophobicContact CE1-CG2 4.25Å; F123-L222 HydrophobicContact CE2-CD2 3.87Å; F123-L222 HydrophobicContact CE2-CG 4.24Å; F123-L222 HydrophobicContact CZ-CB 4.42Å; F123-L222 HydrophobicContact CZ-CD2 3.77Å; F123-L222 HydrophobicContact CZ-CG 3.8Å; F123-T223 HydrophobicContact CE1-CG2 4.41Å; F123-T223 WeakPolarHBondContact CE1-OG1 3.39Å; F123-C226 HydrophobicContact CZ-CB 4.36Å; F123-P232 HydrophobicContact CD1-CG 4.35Å; F123-P234 HydrophobicContact CB-CB 4.16Å; F123-P234 HydrophobicContact CD2-CB 4.26Å; F123-P234 HydrophobicContact CD2-CG 4.03Å; F123-P234 HydrophobicContact CG-CB 4.41Å; F123-P234 HydrophobicContact CG-CG 4.47Å; F123-I235 HydrophobicContact CB-CD1 4.09Å; F123-I235 HydrophobicContact CB-CG1 3.87Å
124	V	98.7	Very high	97.8	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.024	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	127.6	-178.6	-171.9	0	0	0	0	109	V50 V122 G126 V137 A138 L141 V150 V152	V50-V124 HydrophobicContact CG2-CB 4.06Å; V50-V124 HydrophobicContact CG2-CG1 3.95Å; V50-V124 HydrophobicContact CG2-CG2 3.75Å; V122-V124 HydrophobicContact CG1-CG2 4.3Å; V124-G126 VanDerWaalsContact C-N 3.27Å; V124-G126 PolarHBondContact O-N 3.32Å; V124-V137 HydrophobicContact CG1-CB 4.49Å; V124-V137 HydrophobicContact CG1-CG1 3.72Å; V124-V137 HydrophobicContact CG1-CG2 4.16Å; V124-A138 HydrophobicContact CB-CB 3.91Å; V124-A138 HydrophobicContact CG1-CB 4.43Å; V124-A138 HydrophobicContact CG2-CB 4Å; V124-L141 HydrophobicContact CG2-CD2 3.93Å; V124-V150 PolarHBondContact N-O 3.01Å; V124-V152 PolarHBondContact O-N 3.48Å
125	D	97	Very high	97.8	Very high	41 Å²	41	30.6 Å²	30.6	22%	0.219	16%	0.16	C	C	.	.	S	Bend	trans	-71	84.7	171.4	-167.3	5	0	0	0	110.2	K154 I235	D125-K154 WeakPolarHBondContact OD2-CE 3.22Å; D125-K154 IonicContact OD2-NZ 3.16Å; D125-K154 PolarHBondContact OD2-NZ 2.97Å; D125-I235 HydrophobicContact CB-CD1 4.48Å; D125-I235 HydrophobicContact CB-CG2 3.78Å
126	G	96.6	Very high	97.8	Very high	12 Å²	12	26.7 Å²	26.7	12%	0.124	14%	0.135	C	C	.	.	S	Bend	trans	166.1	-173.9	-171.6	0	0	0	0	0	111.9	V124 G151 V152 A153	V124-G126 VanDerWaalsContact C-N 3.27Å; V124-G126 PolarHBondContact O-N 3.32Å; G126-G151 CarbonylContact O-C 3.58Å; G126-G151 WeakPolarHBondContact O-CA 3.37Å; G126-V152 PolarHBondContact N-O 2.95Å; G126-V152 CarbonylContact O-C 3.42Å; G126-V152 PolarHBondContact O-N 3.02Å; G126-A153 PolarHBondContact O-N 3.21Å
127	N	98.3	Very high	97.8	Very high	25 Å²	25	21.9 Å²	21.9	13%	0.134	11%	0.105	C	C	.	.			trans	-96.7	151.6	-179.2	-60.7	-74.4	0	0	0	111.3	F130 H131 G136 V137 A138 A153	N127-F130 VanDerWaalsContact CB-O 3.26Å; N127-F130 WeakPolarHBondContact CB-O 3.33Å; N127-F130 PolarHBondContact OD1-O 2.89Å; N127-H131 HydrophobicContact CB-CB 4.49Å; N127-G136 CarbonylContact O-C 3.53Å; N127-G136 VanDerWaalsContact O-C 3.22Å; N127-G136 VanDerWaalsContact O-CA 3.25Å; N127-G136 WeakPolarHBondContact O-CA 3.5Å; N127-V137 PolarHBondContact O-N 3.29Å; N127-A138 PolarHBondContact O-N 3.01Å; N127-A153 WeakPolarHBondContact OD1-CB 3.48Å
128	G	98.5	Very high	97.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-103.4	-114.9	164.9	0	0	0	0	0	110.5	F130 H131 G136 C139 S209 V210	G128-F130 PolarHBondContact O-N 3.32Å; G128-H131 WeakPolarHBondContact O-CB 3.48Å; G128-G136 WeakPolarHBondContact O-CA 3.26Å; G128-G136 PolarHBondContact O-N 2.7Å; G128-C139 WeakPolarHBondContact CA-SG 3.15Å; G128-S209 PolarHBondContact N-OG 2.78Å; G128-V210 CarbonylContact C-O 3.47Å; G128-V210 VanDerWaalsContact CA-O 3.25Å; G128-V210 WeakPolarHBondContact CA-O 3.32Å
129	L	98.3	Very high	97.8	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	9%	0.086	C	C	.	.	S	Bend	trans	-62.9	-24	178.1	-68.9	-178.5	0	0	0	113.4	V27 E29 H131 E134 C139 V210	V27-L129 HydrophobicContact CG1-CD2 4Å; E29-L129 HydrophobicContact CB-CD1 4.5Å; E29-L129 HydrophobicContact CG-CD1 3.76Å; E29-L129 WeakPolarHBondContact OE2-CD1 3.4Å; L129-H131 PolarHBondContact O-N 2.99Å; L129-E134 HydrophobicContact CD2-CB 4.37Å; L129-E134 WeakPolarHBondContact CD2-O 3.41Å; L129-E134 VanDerWaalsContact O-CA 3.31Å; L129-E134 WeakPolarHBondContact O-CA 3.38Å; L129-C139 PolarHBondContact N-SG 3.01Å; L129-V210 HydrophobicContact CD1-CB 3.83Å; L129-V210 HydrophobicContact CD1-CG1 4.26Å; L129-V210 HydrophobicContact CG-CB 4.15Å; L129-V210 PolarHBondContact N-O 3.32Å
130	F	98	Very high	97.8	Very high	1 Å²	1	18.9 Å²	18.9	0%	0.004	9%	0.088	C	C	.	.	S	Bend	trans	-77.8	69	175.4	-171.3	-119.7	0	0	0	111.3	N127 G128 L156 L157 V159 V162 L184 L192	N127-F130 VanDerWaalsContact CB-O 3.26Å; N127-F130 WeakPolarHBondContact CB-O 3.33Å; N127-F130 PolarHBondContact OD1-O 2.89Å; G128-F130 PolarHBondContact O-N 3.32Å; F130-L156 HydrophobicContact CE1-CD1 3.72Å; F130-L156 HydrophobicContact CZ-CD1 3.8Å; F130-L157 HydrophobicContact CE1-CB 4.18Å; F130-L157 VanDerWaalsContact CE1-O 3.28Å; F130-L157 WeakPolarHBondContact CE1-O 3.3Å; F130-L157 VanDerWaalsContact CZ-O 3.22Å; F130-L157 WeakPolarHBondContact CZ-O 3.21Å; F130-V159 HydrophobicContact CD2-CG2 4.5Å; F130-V159 HydrophobicContact CE2-CG2 4.2Å; F130-V159 HydrophobicContact CZ-CG2 4.26Å; F130-V162 HydrophobicContact CE2-CB 4Å; F130-V162 HydrophobicContact CE2-CG1 4.25Å; F130-V162 HydrophobicContact CE2-CG2 3.87Å; F130-V162 HydrophobicContact CZ-CB 3.96Å; F130-V162 HydrophobicContact CZ-CG1 3.89Å; F130-V162 HydrophobicContact CZ-CG2 4.33Å; F130-L184 HydrophobicContact CD1-CD1 3.8Å; F130-L184 HydrophobicContact CD2-CB 4.19Å; F130-L184 HydrophobicContact CD2-CD1 4.18Å; F130-L184 HydrophobicContact CE1-CD1 3.72Å; F130-L184 HydrophobicContact CE2-CB 3.92Å; F130-L184 HydrophobicContact CE2-CD1 4.11Å; F130-L184 HydrophobicContact CG-CD1 4.03Å; F130-L184 HydrophobicContact CZ-CB 4.31Å; F130-L184 HydrophobicContact CZ-CD1 3.89Å; F130-L192 HydrophobicContact CB-CB 4.3Å; F130-L192 HydrophobicContact CD2-CB 3.8Å; F130-L192 HydrophobicContact CD2-CD1 4.47Å; F130-L192 PolarHBondContact N-O 3.06Å
131	H	97.3	Very high	97.7	Very high	18 Å²	18	17 Å²	17	8%	0.083	8%	0.079	C	C	.	.	S	Bend	trans	-147.3	163.3	-171.2	-172.5	-110.1	0	0	0	112	G93 N127 G128 L129 R133 E134 F135	G93-H131 PolarHBondContact O-CE1 2.92Å; G93-H131 VanDerWaalsContact O-CE1 3.27Å; N127-H131 HydrophobicContact CB-CB 4.49Å; G128-H131 WeakPolarHBondContact O-CB 3.48Å; L129-H131 PolarHBondContact O-N 2.99Å; H131-R133 PolarHBondContact O-N 2.97Å; H131-E134 PolarHBondContact O-N 2.82Å; H131-F135 PolarHBondContact ND1-O 3.13Å; H131-F135 VanDerWaalsContact ND1-O 3.15Å
132	Y	93.3	Very high	97.7	Very high	105 Å²	105	17 Å²	17	41%	0.412	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	-39.6	-178.3	-63.7	-85.4	0	0	0	113.7	L157 V159 Q160	Y132-L157 HydrophobicContact CD2-CD2 4.38Å; Y132-L157 HydrophobicContact CE2-CD1 3.91Å; Y132-L157 HydrophobicContact CE2-CD2 4.13Å; Y132-L157 HydrophobicContact CE2-CG 4.47Å; Y132-V159 HydrophobicContact CD1-CB 4.44Å; Y132-V159 HydrophobicContact CD1-CG1 3.3Å; Y132-V159 HydrophobicContact CD2-CG1 4.04Å; Y132-V159 HydrophobicContact CE1-CG1 3.26Å; Y132-V159 HydrophobicContact CE2-CG1 4.01Å; Y132-V159 HydrophobicContact CG-CG1 3.69Å; Y132-Q160 PolarHBondContact O-NE2 3.48Å
133	R	95.2	Very high	97.7	Very high	86 Å²	86	17.9 Å²	17.9	33%	0.325	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	26.5	-179.7	-58.4	-171.5	-168.1	75.3	4.7	112.8	E17 Q20 G93 F94 H131 F135	E17-R133 IonicContact OE1-CZ 2.7Å; E17-R133 IonicContact OE1-NE 3.63Å; E17-R133 PolarHBondContact OE1-NE 2.86Å; E17-R133 IonicContact OE1-NH2 3.56Å; E17-R133 PolarHBondContact OE1-NH2 3.17Å; Q20-R133 VanDerWaalsContact OE1-CD 3.31Å; Q20-R133 VanDerWaalsContact OE1-NH1 3.1Å; G93-R133 PolarHBondContact O-NH1 2.9Å; F94-R133 VanDerWaalsContact CZ-NH1 3.26Å; H131-R133 PolarHBondContact O-N 2.97Å; R133-F135 PolarHBondContact O-N 2.92Å
134	E	96.9	Very high	97.7	Very high	37 Å²	37	21.4 Å²	21.4	17%	0.173	10%	0.103	C	C	.	.	S	Bend	trans	53	23.7	-173.5	-57.4	-172.3	-168	0	0	114.7	R24 L129 H131 K190 L192	R24-E134 WeakPolarHBondContact CD-O 3.45Å; R24-E134 IonicContact CZ-OE2 3.06Å; R24-E134 PolarHBondContact NE-O 3.35Å; R24-E134 IonicContact NE-OE2 3.49Å; R24-E134 IonicContact NH2-OE2 3.72Å; R24-E134 PolarHBondContact NH2-OE2 2.73Å; L129-E134 HydrophobicContact CD2-CB 4.37Å; L129-E134 WeakPolarHBondContact CD2-O 3.41Å; L129-E134 VanDerWaalsContact O-CA 3.31Å; L129-E134 WeakPolarHBondContact O-CA 3.38Å; H131-E134 PolarHBondContact O-N 2.82Å; E134-K190 IonicContact OE2-NZ 2.87Å; E134-K190 PolarHBondContact OE2-NZ 2.81Å; E134-L192 HydrophobicContact CG-CD1 4.45Å; E134-L192 HydrophobicContact CG-CD2 3.99Å
135	F	97.9	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.			trans	-143.2	75.5	-175.2	-164.7	-107	0	0	0	110.4	Q20 L23 R24 V27 H131 R133 C139 H140 V143	Q20-F135 HydrophobicContact CB-CD1 4.06Å; Q20-F135 HydrophobicContact CG-CD1 3.94Å; L23-F135 HydrophobicContact CB-CE1 3.81Å; L23-F135 HydrophobicContact CB-CE2 3.89Å; L23-F135 HydrophobicContact CB-CZ 3.29Å; L23-F135 HydrophobicContact CD1-CE1 4.06Å; L23-F135 HydrophobicContact CD1-CZ 4.01Å; L23-F135 HydrophobicContact CG-CZ 4.28Å; R24-F135 HydrophobicContact CB-CB 4.28Å; R24-F135 HydrophobicContact CB-CD2 3.99Å; R24-F135 HydrophobicContact CB-CG 4.27Å; V27-F135 HydrophobicContact CG2-CD2 3.79Å; V27-F135 HydrophobicContact CG2-CE2 3.69Å; H131-F135 PolarHBondContact ND1-O 3.13Å; H131-F135 VanDerWaalsContact ND1-O 3.15Å; R133-F135 PolarHBondContact O-N 2.92Å; F135-C139 HydrophobicContact CD2-CB 3.42Å; F135-C139 VanDerWaalsContact CD2-CB 3.42Å; F135-C139 HydrophobicContact CE2-CB 3.58Å; F135-C139 HydrophobicContact CG-CB 4.18Å; F135-C139 HydrophobicContact CZ-CB 4.43Å; F135-H140 HydrophobicContact CE1-CB 3.75Å; F135-H140 AromaticContact CE1-CG 3.68Å; F135-H140 VanDerWaalsContact CZ-CA 3.47Å; F135-H140 HydrophobicContact CZ-CB 3.91Å; F135-V143 HydrophobicContact CE2-CG2 4.19Å
136	G	97.6	Very high	97.8	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	12%	0.117	C	C	.	.			trans	-81.6	-177.7	174.4	0	0	0	0	0	112.9	N127 G128 A138 C139 H140	N127-G136 CarbonylContact O-C 3.53Å; N127-G136 VanDerWaalsContact O-C 3.22Å; N127-G136 VanDerWaalsContact O-CA 3.25Å; N127-G136 WeakPolarHBondContact O-CA 3.5Å; G128-G136 WeakPolarHBondContact O-CA 3.26Å; G128-G136 PolarHBondContact O-N 2.7Å; G136-A138 VanDerWaalsContact C-N 3.26Å; G136-A138 PolarHBondContact O-N 2.91Å; G136-C139 WeakPolarHBondContact O-CB 3.45Å; G136-C139 PolarHBondContact O-N 3.34Å; G136-C139 VanDerWaalsContact O-N 3.09Å; G136-H140 PolarHBondContact O-N 3.09Å
137	V	97.8	Very high	97.9	Very high	13 Å²	13	23.3 Å²	23.3	8%	0.079	12%	0.119	C	C	.	.	H	α-helix	trans	-58.1	-34.7	-177.6	61.5	0	0	0	0	113.1	A96 E99 L103 V124 N127 H140 L141	A96-V137 HydrophobicContact CB-CB 4.04Å; A96-V137 HydrophobicContact CB-CG2 4.39Å; E99-V137 HydrophobicContact CB-CG2 4.49Å; L103-V137 HydrophobicContact CD1-CG2 4.47Å; V124-V137 HydrophobicContact CG1-CB 4.49Å; V124-V137 HydrophobicContact CG1-CG1 3.72Å; V124-V137 HydrophobicContact CG1-CG2 4.16Å; N127-V137 PolarHBondContact O-N 3.29Å; V137-H140 PolarHBondContact O-N 3.26Å; V137-L141 WeakPolarHBondContact O-CB 3.42Å; V137-L141 PolarHBondContact O-N 3.06Å
138	A	98.6	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.8	-35.3	177.8	0	0	0	0	0	112.6	V124 N127 G136 G142 C149 G151	V124-A138 HydrophobicContact CB-CB 3.91Å; V124-A138 HydrophobicContact CG1-CB 4.43Å; V124-A138 HydrophobicContact CG2-CB 4Å; N127-A138 PolarHBondContact O-N 3.01Å; G136-A138 VanDerWaalsContact C-N 3.26Å; G136-A138 PolarHBondContact O-N 2.91Å; A138-G142 PolarHBondContact O-N 3.07Å; A138-C149 VanDerWaalsContact O-CB 3.3Å; A138-C149 WeakPolarHBondContact O-CB 3.42Å; A138-G151 VanDerWaalsContact CB-CA 3.48Å
139	C	98.8	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.3	-44.9	172.8	-59.8	0	0	0	0	110.9	V27 G128 L129 F135 G136 G142 V143 G211	V27-C139 HydrophobicContact CG2-CB 3.92Å; G128-C139 WeakPolarHBondContact CA-SG 3.15Å; L129-C139 PolarHBondContact N-SG 3.01Å; F135-C139 HydrophobicContact CD2-CB 3.42Å; F135-C139 VanDerWaalsContact CD2-CB 3.42Å; F135-C139 HydrophobicContact CE2-CB 3.58Å; F135-C139 HydrophobicContact CG-CB 4.18Å; F135-C139 HydrophobicContact CZ-CB 4.43Å; G136-C139 WeakPolarHBondContact O-CB 3.45Å; G136-C139 PolarHBondContact O-N 3.34Å; G136-C139 VanDerWaalsContact O-N 3.09Å; C139-G142 PolarHBondContact O-N 2.88Å; C139-V143 WeakPolarHBondContact O-CB 3.25Å; C139-V143 WeakPolarHBondContact O-CG2 3.26Å; C139-V143 PolarHBondContact O-N 3.03Å; C139-G211 VanDerWaalsContact CA-O 3.27Å; C139-G211 WeakPolarHBondContact CA-O 3.38Å; C139-G211 PolarHBondContact SG-O 2.9Å
140	H	98.6	Very high	98	Very high	11 Å²	11	22.2 Å²	22.2	5%	0.051	11%	0.113	C	C	.	.	H	α-helix	trans	-61.2	-49.4	-178.2	-158	164.2	0	0	0	111.3	A96 F97 T100 F135 G136 V137 L144	A96-H140 HydrophobicContact CB-CB 4.01Å; A96-H140 WeakPolarHBondContact CB-ND1 3.25Å; F97-H140 AromaticContact CD1-CE1 3.99Å; F97-H140 AromaticContact CE1-CE1 3.93Å; T100-H140 HydrophobicContact CG2-CB 4.2Å; F135-H140 HydrophobicContact CE1-CB 3.75Å; F135-H140 AromaticContact CE1-CG 3.68Å; F135-H140 VanDerWaalsContact CZ-CA 3.47Å; F135-H140 HydrophobicContact CZ-CB 3.91Å; G136-H140 PolarHBondContact O-N 3.09Å; V137-H140 PolarHBondContact O-N 3.26Å; H140-L144 WeakPolarHBondContact O-CG 3.41Å; H140-L144 PolarHBondContact O-N 2.93Å
141	L	98.7	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.2	-43.7	176.4	-174.2	62.7	0	0	0	111.9	V50 T100 L103 L104 L107 V122 V124 V137 L144 S145	V50-L141 HydrophobicContact CG2-CD2 3.87Å; T100-L141 HydrophobicContact CG2-CB 4.13Å; T100-L141 HydrophobicContact CG2-CD1 4.12Å; L103-L141 HydrophobicContact CB-CD1 3.97Å; L103-L141 HydrophobicContact CB-CD2 4.24Å; L103-L141 HydrophobicContact CD1-CD2 4.46Å; L104-L141 HydrophobicContact CB-CD1 4.17Å; L107-L141 HydrophobicContact CD1-CD1 3.89Å; L107-L141 HydrophobicContact CD1-CD2 4.3Å; L107-L141 HydrophobicContact CD1-CG 4.19Å; V122-L141 HydrophobicContact CG1-CD2 4.32Å; V124-L141 HydrophobicContact CG2-CD2 3.93Å; V137-L141 WeakPolarHBondContact O-CB 3.42Å; V137-L141 PolarHBondContact O-N 3.06Å; L141-L144 PolarHBondContact O-N 3.3Å; L141-S145 VanDerWaalsContact O-CB 3.26Å; L141-S145 WeakPolarHBondContact O-CB 3.42Å; L141-S145 PolarHBondContact O-N 3.06Å; L141-S145 PolarHBondContact O-OG 2.89Å
142	G	98.8	Very high	98.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62	-47.2	-179.3	0	0	0	0	0	113.1	A138 C139 S145 G146 C149 H212	A138-G142 PolarHBondContact O-N 3.07Å; C139-G142 PolarHBondContact O-N 2.88Å; G142-S145 PolarHBondContact O-OG 3.5Å; G142-G146 WeakPolarHBondContact O-CA 3.33Å; G142-G146 PolarHBondContact O-N 3.07Å; G142-C149 WeakPolarHBondContact CA-SG 3.38Å; G142-H212 PolarHBondContact O-CD2 3.2Å
143	V	98.8	Very high	98.3	Very high	17 Å²	17	16.7 Å²	16.7	10%	0.103	9%	0.093	C	C	.	.	H	α-helix	trans	-62.1	-46.1	177.7	169.9	0	0	0	0	111.2	L23 E26 V27 F135 C139	L23-V143 HydrophobicContact CD2-CG1 3.75Å; E26-V143 HydrophobicContact CB-CG1 3.73Å; E26-V143 HydrophobicContact CB-CG2 4.21Å; E26-V143 HydrophobicContact CG-CG1 4.49Å; V27-V143 HydrophobicContact CG2-CG2 3.71Å; F135-V143 HydrophobicContact CE2-CG2 4.19Å; C139-V143 WeakPolarHBondContact O-CB 3.25Å; C139-V143 WeakPolarHBondContact O-CG2 3.26Å; C139-V143 PolarHBondContact O-N 3.03Å
144	L	98.5	Very high	98.4	Very high	75 Å²	75	14.9 Å²	14.9	39%	0.393	9%	0.087	S	C	.	.	H	α-helix	trans	-73.3	-31.1	-177.1	-65.2	-177.1	0	0	0	113.7	L23 T100 L104 H140 L141	L23-L144 HydrophobicContact CD2-CD2 4.07Å; T100-L144 HydrophobicContact CG2-CD1 3.97Å; L104-L144 HydrophobicContact CD1-CB 4.28Å; L104-L144 HydrophobicContact CD2-CB 3.93Å; L104-L144 HydrophobicContact CD2-CD1 4.22Å; H140-L144 WeakPolarHBondContact O-CG 3.41Å; H140-L144 PolarHBondContact O-N 2.93Å; L141-L144 PolarHBondContact O-N 3.3Å
145	S	98.4	Very high	98.4	Very high	34 Å²	34	17.9 Å²	17.9	24%	0.238	11%	0.105	C	C	.	.	H	α-helix	trans	-87.1	-18.6	177.3	63.5	0	0	0	0	113.5	L141 G142 L147	L141-S145 VanDerWaalsContact O-CB 3.26Å; L141-S145 WeakPolarHBondContact O-CB 3.42Å; L141-S145 PolarHBondContact O-N 3.06Å; L141-S145 PolarHBondContact O-OG 2.89Å; G142-S145 PolarHBondContact O-OG 3.5Å; S145-L147 PolarHBondContact O-N 3.15Å; S145-L147 PolarHBondContact OG-N 3.27Å
146	G	98.6	Very high	98.4	Very high	29 Å²	29	19.1 Å²	19.1	30%	0.299	11%	0.111	S	C	.	.			trans	70.1	1.7	-171.4	0	0	0	0	0	114.6	G142 R213	G142-G146 WeakPolarHBondContact O-CA 3.33Å; G142-G146 PolarHBondContact O-N 3.07Å; G146-R213 PolarHBondContact O-NH1 3.39Å
147	L	98.8	Very high	98.4	Very high	33 Å²	33	20.6 Å²	20.6	17%	0.173	12%	0.119	C	C	.	.	S	Bend	trans	-85.3	149.4	-178.9	-65.2	175.4	0	0	0	111.6	L107 V118 P119 V122 S145 C149	L107-L147 HydrophobicContact CD1-CD1 4.24Å; L107-L147 HydrophobicContact CD2-CD1 4.23Å; V118-L147 HydrophobicContact CG1-CD2 4.43Å; P119-L147 HydrophobicContact CG-CD1 4.49Å; V122-L147 HydrophobicContact CG2-CD1 3.89Å; S145-L147 PolarHBondContact O-N 3.15Å; S145-L147 PolarHBondContact OG-N 3.27Å; L147-C149 PolarHBondContact O-N 3.2Å
148	P	98.9	Very high	98.3	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.039	14%	0.139	C	C	.	.			trans	-54	128.7	162.8	-26.6	35.8	0	0	0	111.6	E33 W35 Q120 V121 V122 H212 R213	E33-P148 HydrophobicContact CG-CG 4.22Å; W35-P148 HydrophobicContact CZ2-CB 4.46Å; W35-P148 HydrophobicContact CZ2-CG 4.4Å; Q120-P148 VanDerWaalsContact O-CD 3.31Å; Q120-P148 WeakPolarHBondContact O-CD 3.28Å; Q120-P148 WeakPolarHBondContact O-CG 3.28Å; V121-P148 CarbonylContact C-O 3.49Å; V121-P148 VanDerWaalsContact CA-O 3.28Å; V121-P148 WeakPolarHBondContact CA-O 3.37Å; V121-P148 HydrophobicContact CB-CB 4.08Å; V121-P148 HydrophobicContact CG2-CB 4.01Å; V121-P148 WeakPolarHBondContact CG2-O 3.42Å; V122-P148 PolarHBondContact N-O 3.23Å; P148-H212 CarbonylContact C-O 3.55Å; P148-H212 VanDerWaalsContact CA-O 3.23Å; P148-H212 WeakPolarHBondContact CA-O 3.25Å; P148-R213 HydrophobicContact CB-CB 4.4Å; P148-R213 HydrophobicContact CG-CB 4.17Å
149	C	98.9	Very high	98.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.6	-179.6	-79.3	0	0	0	0	112.2	V122 A138 G142 L147 G211 H212 I214	V122-C149 WeakPolarHBondContact O-CA 3.48Å; A138-C149 VanDerWaalsContact O-CB 3.3Å; A138-C149 WeakPolarHBondContact O-CB 3.42Å; G142-C149 WeakPolarHBondContact CA-SG 3.38Å; L147-C149 PolarHBondContact O-N 3.2Å; C149-G211 CarbonylContact O-C 3.22Å; C149-G211 WeakPolarHBondContact O-CA 3.14Å; C149-G211 PolarHBondContact O-N 3.43Å; C149-H212 HydrophobicContact CB-CB 4.42Å; C149-H212 PolarHBondContact N-O 3.06Å; C149-H212 PolarHBondContact O-N 2.69Å; C149-H212 VanDerWaalsContact O-N 3.07Å; C149-I214 WeakPolarHBondContact O-CG2 3.48Å
150	V	98.9	Very high	98	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.6	174.8	-176.9	0	0	0	0	109.2	V121 V122 F123 V124 V152 V208 I214 A219	V121-V150 HydrophobicContact CG2-CG2 4.18Å; V122-V150 PolarHBondContact O-N 2.89Å; F123-V150 HydrophobicContact CD1-CB 4.21Å; F123-V150 HydrophobicContact CD1-CG1 4.39Å; F123-V150 HydrophobicContact CE1-CB 4.25Å; F123-V150 HydrophobicContact CE1-CG1 4.27Å; V124-V150 PolarHBondContact N-O 3.01Å; V150-V152 HydrophobicContact CG1-CG2 3.8Å; V150-V208 HydrophobicContact CG1-CG1 3.73Å; V150-I214 HydrophobicContact CG2-CD1 3.81Å; V150-I214 HydrophobicContact CG2-CG2 3.99Å; V150-A219 HydrophobicContact CG1-CB 3.92Å; V150-A219 HydrophobicContact CG2-CB 3.87Å
151	G	98.8	Very high	97.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.7	169.8	0	0	0	0	0	110.3	G126 A138 V208 S209	G126-G151 CarbonylContact O-C 3.58Å; G126-G151 WeakPolarHBondContact O-CA 3.37Å; A138-G151 VanDerWaalsContact CB-CA 3.48Å; G151-V208 CarbonylContact O-C 3.29Å; G151-V208 WeakPolarHBondContact O-CA 3.3Å; G151-S209 PolarHBondContact N-O 3.22Å; G151-S209 PolarHBondContact O-N 2.81Å
152	V	98.8	Very high	97.7	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	101.6	175	-174.4	0	0	0	0	109.8	F123 V124 G126 V150 V206 Y207 V208 T223 P232 I235	F123-V152 HydrophobicContact CD1-CG2 3.81Å; F123-V152 HydrophobicContact CE1-CG2 4.25Å; V124-V152 PolarHBondContact O-N 3.48Å; G126-V152 PolarHBondContact N-O 2.95Å; G126-V152 CarbonylContact O-C 3.42Å; G126-V152 PolarHBondContact O-N 3.02Å; V150-V152 HydrophobicContact CG1-CG2 3.8Å; V152-V206 HydrophobicContact CG1-CB 3.82Å; V152-V206 HydrophobicContact CG1-CG1 4.36Å; V152-V206 HydrophobicContact CG1-CG2 3.93Å; V152-Y207 WeakPolarHBondContact CA-O 3.44Å; V152-V208 HydrophobicContact CG1-CG2 4.45Å; V152-V208 HydrophobicContact CG2-CG2 4.43Å; V152-T223 HydrophobicContact CG1-CG2 4.14Å; V152-T223 HydrophobicContact CG2-CG2 3.93Å; V152-P232 HydrophobicContact CG1-CG 4.18Å; V152-I235 HydrophobicContact CB-CD1 3.58Å; V152-I235 HydrophobicContact CG1-CD1 4.28Å; V152-I235 HydrophobicContact CG2-CD1 4.14Å
153	A	98.3	Very high	97.6	Very high	6 Å²	6	36.2 Å²	36.2	5%	0.05	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.6	178.8	0	0	0	0	0	112.1	G126 N127 N155 Y207	G126-A153 PolarHBondContact O-N 3.21Å; N127-A153 WeakPolarHBondContact OD1-CB 3.48Å; A153-N155 VanDerWaalsContact C-N 3.33Å; A153-N155 PolarHBondContact O-N 3.37Å; A153-Y207 PolarHBondContact N-O 3.18Å; A153-Y207 PolarHBondContact O-N 3.45Å
154	K	97.4	Very high	97.5	Very high	48 Å²	48	41.5 Å²	41.5	21%	0.209	23%	0.232	C	C	.	.	S	Bend	trans	-75.5	-17	177.7	-66.4	164.2	-178	163.5	0	113.6	D125 R230 V231 D239	D125-K154 WeakPolarHBondContact OD2-CE 3.22Å; D125-K154 IonicContact OD2-NZ 3.16Å; D125-K154 PolarHBondContact OD2-NZ 2.97Å; K154-R230 PolarHBondContact O-NH2 3.23Å; K154-V231 HydrophobicContact CG-CG2 4.36Å; K154-D239 IonicContact NZ-OD1 3.5Å
155	N	97.4	Very high	97.4	Very high	100 Å²	100	41.3 Å²	41.3	54%	0.535	23%	0.231	S	C	.	.	S	Bend	trans	-139.1	156.1	-178.5	-60.4	-59.6	0	0	0	110.2	A153 L157 K204 Y207	A153-N155 VanDerWaalsContact C-N 3.33Å; A153-N155 PolarHBondContact O-N 3.37Å; N155-L157 PolarHBondContact O-N 3.49Å; N155-K204 PolarHBondContact OD1-NZ 3.26Å; N155-Y207 VanDerWaalsContact C-CE2 3.41Å; N155-Y207 WeakPolarHBondContact O-CD2 3.49Å
156	L	97.8	Very high	97.4	Very high	25 Å²	25	47.7 Å²	47.7	13%	0.131	26%	0.257	C	S	.	.			trans	-70.4	124.1	178.8	-176.3	70.1	0	0	0	109.3	F130 Q158 V162 K164 L184 Y207	F130-L156 HydrophobicContact CE1-CD1 3.72Å; F130-L156 HydrophobicContact CZ-CD1 3.8Å; L156-Q158 HydrophobicContact CD2-CG 4.29Å; L156-V162 HydrophobicContact CD1-CG1 4.11Å; L156-V162 HydrophobicContact CD2-CG1 4.43Å; L156-K164 HydrophobicContact CD2-CB 3.87Å; L156-K164 HydrophobicContact CD2-CG 4.37Å; L156-L184 HydrophobicContact CD1-CD2 4.18Å; L156-Y207 HydrophobicContact CB-CD2 4.43Å; L156-Y207 HydrophobicContact CB-CE1 3.98Å; L156-Y207 HydrophobicContact CB-CE2 3.87Å; L156-Y207 HydrophobicContact CD1-CD1 3.66Å; L156-Y207 HydrophobicContact CD1-CE1 3.47Å; L156-Y207 VanDerWaalsContact CD1-CE1 3.47Å; L156-Y207 HydrophobicContact CD1-CG 4.36Å; L156-Y207 HydrophobicContact CG-CE1 4.28Å
157	L	96.4	Very high	97.3	Very high	33 Å²	33	52.5 Å²	52.5	17%	0.173	27%	0.272	C	S	.	.			trans	-81	119.8	163.4	-176.2	64	0	0	0	108.5	F130 Y132 N155 V159	F130-L157 HydrophobicContact CE1-CB 4.18Å; F130-L157 VanDerWaalsContact CE1-O 3.28Å; F130-L157 WeakPolarHBondContact CE1-O 3.3Å; F130-L157 VanDerWaalsContact CZ-O 3.22Å; F130-L157 WeakPolarHBondContact CZ-O 3.21Å; Y132-L157 HydrophobicContact CD2-CD2 4.38Å; Y132-L157 HydrophobicContact CE2-CD1 3.91Å; Y132-L157 HydrophobicContact CE2-CD2 4.13Å; Y132-L157 HydrophobicContact CE2-CG 4.47Å; N155-L157 PolarHBondContact O-N 3.49Å; L157-V159 HydrophobicContact CB-CG2 4.4Å; L157-V159 HydrophobicContact CD1-CG1 4.24Å; L157-V159 HydrophobicContact CD2-CG1 3.9Å; L157-V159 HydrophobicContact CD2-CG2 3.88Å; L157-V159 HydrophobicContact CG-CB 4.38Å; L157-V159 HydrophobicContact CG-CG1 3.68Å; L157-V159 HydrophobicContact CG-CG2 3.86Å; L157-V159 PolarHBondContact O-N 3.08Å
158	Q	96.3	Very high	97.2	Very high	109 Å²	109	51.2 Å²	51.2	51%	0.509	27%	0.265	S	S	.	.			trans	-85.5	91.4	-179.7	-66.6	-173.9	95.2	0	0	110.1	L156 V162 L163 K164	L156-Q158 HydrophobicContact CD2-CG 4.29Å; Q158-V162 CarbonylContact C-O 3.46Å; Q158-V162 VanDerWaalsContact CA-O 3.28Å; Q158-V162 WeakPolarHBondContact CA-O 3.5Å; Q158-L163 HydrophobicContact CB-CD2 4.5Å; Q158-K164 HydrophobicContact CG-CB 4.46Å
159	V	95.4	Very high	97.2	Very high	9 Å²	9	54.8 Å²	54.8	6%	0.055	28%	0.281	C	S	.	.			trans	-143.6	161.8	-174.2	-72.6	0	0	0	0	110.7	F130 Y132 L157 G161 V162	F130-V159 HydrophobicContact CD2-CG2 4.5Å; F130-V159 HydrophobicContact CE2-CG2 4.2Å; F130-V159 HydrophobicContact CZ-CG2 4.26Å; Y132-V159 HydrophobicContact CD1-CB 4.44Å; Y132-V159 HydrophobicContact CD1-CG1 3.3Å; Y132-V159 HydrophobicContact CD2-CG1 4.04Å; Y132-V159 HydrophobicContact CE1-CG1 3.26Å; Y132-V159 HydrophobicContact CE2-CG1 4.01Å; Y132-V159 HydrophobicContact CG-CG1 3.69Å; L157-V159 HydrophobicContact CB-CG2 4.4Å; L157-V159 HydrophobicContact CD1-CG1 4.24Å; L157-V159 HydrophobicContact CD2-CG1 3.9Å; L157-V159 HydrophobicContact CD2-CG2 3.88Å; L157-V159 HydrophobicContact CG-CB 4.38Å; L157-V159 HydrophobicContact CG-CG1 3.68Å; L157-V159 HydrophobicContact CG-CG2 3.86Å; L157-V159 PolarHBondContact O-N 3.08Å; V159-G161 PolarHBondContact O-N 3.3Å; V159-G161 VanDerWaalsContact O-N 3.07Å; V159-V162 PolarHBondContact N-O 3.06Å; V159-V162 WeakPolarHBondContact O-CB 3.24Å; V159-V162 PolarHBondContact O-N 3.38Å
160	Q	94.8	Very high	97.1	Very high	70 Å²	70	58.4 Å²	58.4	33%	0.327	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	28.5	173	-60.7	-64.6	-33.8	0	0	113.2	Y132 V162 A186 A187 L192	Y132-Q160 PolarHBondContact O-NE2 3.48Å; Q160-V162 VanDerWaalsContact C-N 3.29Å; Q160-V162 PolarHBondContact O-N 2.88Å; Q160-A186 HydrophobicContact CB-CB 3.82Å; Q160-A186 CarbonylContact O-C 3.53Å; Q160-A186 VanDerWaalsContact O-CA 3.23Å; Q160-A186 WeakPolarHBondContact O-CA 3.27Å; Q160-A187 PolarHBondContact O-N 3.35Å; Q160-L192 HydrophobicContact CB-CD1 3.88Å; Q160-L192 HydrophobicContact CG-CD1 3.68Å
161	G	95.4	Very high	97.1	Very high	58 Å²	58	61.5 Å²	61.5	60%	0.598	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-0.2	-177	0	0	0	0	0	115.2	V159	V159-G161 PolarHBondContact O-N 3.3Å; V159-G161 VanDerWaalsContact O-N 3.07Å
162	V	96.9	Very high	97.1	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.085	33%	0.327	C	S	.	.			trans	-83.6	119	173.8	-177.1	0	0	0	0	109.2	F130 L156 Q158 V159 Q160 L184 T185	F130-V162 HydrophobicContact CE2-CB 4Å; F130-V162 HydrophobicContact CE2-CG1 4.25Å; F130-V162 HydrophobicContact CE2-CG2 3.87Å; F130-V162 HydrophobicContact CZ-CB 3.96Å; F130-V162 HydrophobicContact CZ-CG1 3.89Å; F130-V162 HydrophobicContact CZ-CG2 4.33Å; L156-V162 HydrophobicContact CD1-CG1 4.11Å; L156-V162 HydrophobicContact CD2-CG1 4.43Å; Q158-V162 CarbonylContact C-O 3.46Å; Q158-V162 VanDerWaalsContact CA-O 3.28Å; Q158-V162 WeakPolarHBondContact CA-O 3.5Å; V159-V162 PolarHBondContact N-O 3.06Å; V159-V162 WeakPolarHBondContact O-CB 3.24Å; V159-V162 PolarHBondContact O-N 3.38Å; Q160-V162 VanDerWaalsContact C-N 3.29Å; Q160-V162 PolarHBondContact O-N 2.88Å; V162-L184 HydrophobicContact CG1-CD2 4.33Å; V162-T185 VanDerWaalsContact CG2-O 3.31Å; V162-T185 WeakPolarHBondContact CG2-O 3.48Å
163	L	96.8	Very high	97	Very high	91 Å²	91	66.1 Å²	66.1	48%	0.476	36%	0.356	S	S	.	.			trans	-118	158.2	-175.3	-59.6	179.3	0	0	0	111.3	Q158 D165 H168	Q158-L163 HydrophobicContact CB-CD2 4.5Å; L163-D165 VanDerWaalsContact C-N 3.27Å; L163-D165 PolarHBondContact O-N 3.24Å; L163-H168 WeakPolarHBondContact O-CB 3.5Å
164	K	96.1	Very high	97	Very high	129 Å²	129	68.9 Å²	68.9	56%	0.561	38%	0.379	S	S	*	.			trans	-90.1	62.6	172.4	-163.3	-170.7	172.1	-167	0	110.5	L156 Q158	L156-K164 HydrophobicContact CD2-CB 3.87Å; L156-K164 HydrophobicContact CD2-CG 4.37Å; Q158-K164 HydrophobicContact CG-CB 4.46Å
165	D	97.1	Very high	97	Very high	70 Å²	70	67.3 Å²	67.3	37%	0.374	37%	0.372	S	S	.	.	S	Bend	trans	-97.5	-172	-177.8	59.8	21.3	0	0	0	112.9	L163 E167 H168 Q169	L163-D165 VanDerWaalsContact C-N 3.27Å; L163-D165 PolarHBondContact O-N 3.24Å; D165-E167 VanDerWaalsContact C-N 3.32Å; D165-E167 PolarHBondContact O-N 2.91Å; D165-E167 PolarHBondContact OD1-N 3.08Å; D165-H168 PolarHBondContact O-N 2.8Å; D165-H168 PolarHBondContact OD1-N 2.96Å; D165-Q169 WeakPolarHBondContact O-CG 3.35Å; D165-Q169 PolarHBondContact O-N 2.81Å
166	E	97.4	Very high	97	Very high	169 Å²	169	69 Å²	69	79%	0.79	38%	0.377	S	S	*	.	H	α-helix	trans	-63.9	-34.3	179.7	-65.6	-176.8	176.1	0	0	112.7	Q169 S170	E166-Q169 PolarHBondContact O-N 2.8Å; E166-S170 WeakPolarHBondContact O-CB 3.35Å; E166-S170 PolarHBondContact O-N 3.26Å; E166-S170 PolarHBondContact O-OG 3.42Å
167	E	96.6	Very high	97	Very high	130 Å²	130	73.9 Å²	73.9	61%	0.607	40%	0.397	S	S	*	.	H	α-helix	trans	-65.3	-48.3	175.8	-177.6	174.7	-179.4	0	0	110	D165 Q169 S170 Q171	D165-E167 VanDerWaalsContact C-N 3.32Å; D165-E167 PolarHBondContact O-N 2.91Å; D165-E167 PolarHBondContact OD1-N 3.08Å; E167-Q169 VanDerWaalsContact C-N 3.31Å; E167-Q169 PolarHBondContact O-N 3.26Å; E167-S170 WeakPolarHBondContact O-CB 3.48Å; E167-S170 PolarHBondContact O-N 3.49Å; E167-S170 VanDerWaalsContact O-N 3.07Å; E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 3.03Å
168	H	97.6	Very high	97	Very high	5 Å²	5	73 Å²	73	2%	0.023	40%	0.396	C	S	.	.	H	α-helix	trans	-59.7	-41.2	176.3	-169.6	80.3	0	0	0	112	L163 D165 S170 Q171 I172 F182 Y207	L163-H168 WeakPolarHBondContact O-CB 3.5Å; D165-H168 PolarHBondContact O-N 2.8Å; D165-H168 PolarHBondContact OD1-N 2.96Å; H168-S170 VanDerWaalsContact C-N 3.35Å; H168-Q171 PolarHBondContact O-N 3.28Å; H168-I172 WeakPolarHBondContact O-CG1 3.12Å; H168-I172 PolarHBondContact O-N 3.44Å; H168-F182 AromaticContact CE1-CE2 3.79Å; H168-F182 AromaticContact CE1-CZ 3.6Å; H168-F182 AromaticContact ND1-CE2 3.76Å; H168-F182 AromaticContact ND1-CZ 3.8Å; H168-Y207 AromaticContact CE1-CE1 3.68Å; H168-Y207 AromaticContact NE2-CE1 3.61Å; H168-Y207 AromaticContact NE2-CZ 3.76Å; H168-Y207 PolarHBondContact NE2-OH 2.64Å
169	Q	97.7	Very high	97.1	Very high	82 Å²	82	69.1 Å²	69.1	38%	0.383	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-39.4	174.5	-67	-40.9	-69.6	0	0	112.3	D165 E166 E167 I172 A173	D165-Q169 WeakPolarHBondContact O-CG 3.35Å; D165-Q169 PolarHBondContact O-N 2.81Å; E166-Q169 PolarHBondContact O-N 2.8Å; E167-Q169 VanDerWaalsContact C-N 3.31Å; E167-Q169 PolarHBondContact O-N 3.26Å; Q169-I172 PolarHBondContact O-N 3.22Å; Q169-A173 PolarHBondContact O-N 2.82Å
170	S	97.9	Very high	97.2	Very high	76 Å²	76	70.7 Å²	70.7	53%	0.531	39%	0.393	S	S	.	.	H	α-helix	trans	-64.9	-41.3	178	-60.5	0	0	0	0	111.6	E166 E167 H168 A173 A174	E166-S170 WeakPolarHBondContact O-CB 3.35Å; E166-S170 PolarHBondContact O-N 3.26Å; E166-S170 PolarHBondContact O-OG 3.42Å; E167-S170 WeakPolarHBondContact O-CB 3.48Å; E167-S170 PolarHBondContact O-N 3.49Å; E167-S170 VanDerWaalsContact O-N 3.07Å; H168-S170 VanDerWaalsContact C-N 3.35Å; S170-A173 PolarHBondContact O-N 2.96Å; S170-A174 PolarHBondContact O-N 3.33Å
171	Q	98.1	Very high	97.4	Very high	64 Å²	64	69.4 Å²	69.4	30%	0.299	39%	0.393	S	S	.	.	H	α-helix	trans	-63.5	-40	174.1	-69.7	178.2	-39.5	0	0	112.1	E167 H168 A174 F182	E167-Q171 WeakPolarHBondContact O-CG 3.35Å; E167-Q171 PolarHBondContact O-N 3.03Å; H168-Q171 PolarHBondContact O-N 3.28Å; Q171-A174 WeakPolarHBondContact O-CB 3.38Å; Q171-A174 PolarHBondContact O-N 2.89Å; Q171-F182 HydrophobicContact CB-CD1 3.78Å; Q171-F182 HydrophobicContact CB-CD2 4.02Å; Q171-F182 HydrophobicContact CB-CE1 3.61Å; Q171-F182 HydrophobicContact CB-CE2 3.85Å; Q171-F182 HydrophobicContact CB-CG 3.98Å; Q171-F182 HydrophobicContact CB-CZ 3.63Å; Q171-F182 HydrophobicContact CG-CD2 4.45Å; Q171-F182 HydrophobicContact CG-CE2 4.5Å
172	I	98.1	Very high	97.6	Very high	24 Å²	24	67.5 Å²	67.5	12%	0.123	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-45.2	172.8	-68.9	173.1	0	0	0	110.9	H168 Q169 A174 L175 F182 P205	H168-I172 WeakPolarHBondContact O-CG1 3.12Å; H168-I172 PolarHBondContact O-N 3.44Å; Q169-I172 PolarHBondContact O-N 3.22Å; I172-A174 PolarHBondContact O-N 2.84Å; I172-L175 WeakPolarHBondContact O-CB 3.28Å; I172-L175 PolarHBondContact O-N 2.93Å; I172-L175 VanDerWaalsContact O-N 3.13Å; I172-F182 HydrophobicContact CG1-CE1 3.84Å; I172-F182 HydrophobicContact CG1-CZ 3.94Å; I172-P205 HydrophobicContact CD1-CG 3.83Å; I172-P205 HydrophobicContact CG1-CG 3.96Å
173	A	97.7	Very high	97.7	Very high	76 Å²	76	69.7 Å²	69.7	63%	0.628	38%	0.382	S	S	*	.	H	α-helix	trans	-63.9	-26	179.2	0	0	0	0	0	112.8	Q169 S170 L175 Q176	Q169-A173 PolarHBondContact O-N 2.82Å; S170-A173 PolarHBondContact O-N 2.96Å; A173-L175 VanDerWaalsContact C-N 3.34Å; A173-Q176 PolarHBondContact O-NE2 3.2Å
174	A	98	Very high	97.8	Very high	65 Å²	65	65.4 Å²	65.4	54%	0.537	36%	0.36	S	S	.	.	H	α-helix	trans	-73.9	-19.4	175.8	0	0	0	0	0	113.7	S170 Q171 I172 Q176	S170-A174 PolarHBondContact O-N 3.33Å; Q171-A174 WeakPolarHBondContact O-CB 3.38Å; Q171-A174 PolarHBondContact O-N 2.89Å; I172-A174 PolarHBondContact O-N 2.84Å; A174-Q176 WeakPolarHBondContact O-CG 3.41Å; A174-Q176 PolarHBondContact O-N 3.48Å; A174-Q176 PolarHBondContact O-NE2 2.99Å
175	L	98.1	Very high	97.8	Very high	14 Å²	14	62.6 Å²	62.6	7%	0.073	35%	0.353	C	S	.	.			trans	-71.8	113.9	178.2	-58.3	178.1	0	0	0	110.8	I172 A173 D180 F182 R197	I172-L175 WeakPolarHBondContact O-CB 3.28Å; I172-L175 PolarHBondContact O-N 2.93Å; I172-L175 VanDerWaalsContact O-N 3.13Å; A173-L175 VanDerWaalsContact C-N 3.34Å; L175-D180 HydrophobicContact CB-CB 4.15Å; L175-D180 HydrophobicContact CD2-CB 3.66Å; L175-D180 HydrophobicContact CG-CB 4.5Å; L175-F182 HydrophobicContact CD1-CD1 3.98Å; L175-F182 HydrophobicContact CD1-CE1 3.99Å; L175-F182 HydrophobicContact CD2-CD1 4.02Å; L175-F182 HydrophobicContact CG-CD1 4.16Å; L175-F182 HydrophobicContact CG-CE1 4.45Å; L175-R197 HydrophobicContact CB-CB 3.97Å; L175-R197 HydrophobicContact CD1-CB 3.89Å; L175-R197 HydrophobicContact CG-CB 4.5Å; L175-R197 PolarHBondContact O-NH1 3.46Å
176	Q	96.7	Very high	97.8	Very high	135 Å²	135	59.5 Å²	59.5	63%	0.631	34%	0.337	S	S	*	.			trans	-96.2	-36.5	-170.3	-61.8	-52.8	-55.5	0	0	113.7	A173 A174 D180 R197	A173-Q176 PolarHBondContact O-NE2 3.2Å; A174-Q176 WeakPolarHBondContact O-CG 3.41Å; A174-Q176 PolarHBondContact O-N 3.48Å; A174-Q176 PolarHBondContact O-NE2 2.99Å; Q176-D180 WeakPolarHBondContact CA-OD2 3.45Å; Q176-D180 PolarHBondContact N-OD2 3.12Å; Q176-R197 PolarHBondContact O-NH1 3.14Å
177	K	97.6	Very high	97.7	Very high	128 Å²	128	55.7 Å²	55.7	56%	0.557	34%	0.335	S	S	*	.	S	Bend	trans	-134.3	164.9	-175.2	60.8	176.2	-179.3	-178.6	0	112.7	G179 D180	K177-G179 PolarHBondContact O-N 2.59Å; K177-D180 VanDerWaalsContact CE-OD1 3.23Å; K177-D180 WeakPolarHBondContact CE-OD1 3.28Å; K177-D180 VanDerWaalsContact CG-CG 3.49Å; K177-D180 VanDerWaalsContact CG-OD1 3.22Å; K177-D180 WeakPolarHBondContact CG-OD1 3.46Å; K177-D180 WeakPolarHBondContact CG-OD2 3.35Å; K177-D180 PolarHBondContact N-OD2 2.97Å; K177-D180 WeakPolarHBondContact O-CB 3.42Å; K177-D180 PolarHBondContact O-N 3.46Å; K177-D180 VanDerWaalsContact O-N 3.15Å
178	G	97.8	Very high	97.7	Very high	14 Å²	14	53.8 Å²	53.8	14%	0.144	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	131.7	168.4	0	0	0	0	0	111	R197 D200	G178-R197 CarbonylContact C-O 3.42Å; G178-R197 WeakPolarHBondContact CA-O 3.37Å; G178-D200 PolarHBondContact N-OD1 2.81Å
179	G	97.5	Very high	97.7	Very high	28 Å²	28	56.1 Å²	56.1	29%	0.289	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.2	-18.2	-177.1	0	0	0	0	0	113.7	K177 S181 R197 H224	K177-G179 PolarHBondContact O-N 2.59Å; G179-S181 PolarHBondContact O-N 3.24Å; G179-R197 PolarHBondContact N-O 3.23Å; G179-H224 PolarHBondContact N-CD2 3.39Å; G179-H224 VanDerWaalsContact N-CD2 3.28Å; G179-H224 PolarHBondContact N-NE2 2.72Å; G179-H224 VanDerWaalsContact N-NE2 3.19Å
180	D	98.5	Very high	97.6	Very high	42 Å²	42	55.2 Å²	55.2	23%	0.225	36%	0.356	C	S	.	.			trans	-62.8	138.6	173.5	-67.3	-12.6	0	0	0	109.7	L175 Q176 K177 R197	L175-D180 HydrophobicContact CB-CB 4.15Å; L175-D180 HydrophobicContact CD2-CB 3.66Å; L175-D180 HydrophobicContact CG-CB 4.5Å; Q176-D180 WeakPolarHBondContact CA-OD2 3.45Å; Q176-D180 PolarHBondContact N-OD2 3.12Å; K177-D180 VanDerWaalsContact CE-OD1 3.23Å; K177-D180 WeakPolarHBondContact CE-OD1 3.28Å; K177-D180 VanDerWaalsContact CG-CG 3.49Å; K177-D180 VanDerWaalsContact CG-OD1 3.22Å; K177-D180 WeakPolarHBondContact CG-OD1 3.46Å; K177-D180 WeakPolarHBondContact CG-OD2 3.35Å; K177-D180 PolarHBondContact N-OD2 2.97Å; K177-D180 WeakPolarHBondContact O-CB 3.42Å; K177-D180 PolarHBondContact O-N 3.46Å; K177-D180 VanDerWaalsContact O-N 3.15Å; D180-R197 PolarHBondContact O-N 3.38Å
181	S	98.8	Very high	97.7	Very high	44 Å²	44	54.6 Å²	54.6	31%	0.308	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	158.9	-179.8	60	0	0	0	0	112.4	G179 A195	G179-S181 PolarHBondContact O-N 3.24Å; S181-A195 CarbonylContact C-O 3.6Å; S181-A195 WeakPolarHBondContact CA-O 3.32Å; S181-A195 WeakPolarHBondContact CB-O 3.34Å
182	F	98.7	Very high	97.7	Very high	18 Å²	18	51.7 Å²	51.7	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.1	171.9	66.7	-98.1	0	0	0	110.9	H168 Q171 I172 L175 L184 K194 A195	H168-F182 AromaticContact CE1-CE2 3.79Å; H168-F182 AromaticContact CE1-CZ 3.6Å; H168-F182 AromaticContact ND1-CE2 3.76Å; H168-F182 AromaticContact ND1-CZ 3.8Å; Q171-F182 HydrophobicContact CB-CD1 3.78Å; Q171-F182 HydrophobicContact CB-CD2 4.02Å; Q171-F182 HydrophobicContact CB-CE1 3.61Å; Q171-F182 HydrophobicContact CB-CE2 3.85Å; Q171-F182 HydrophobicContact CB-CG 3.98Å; Q171-F182 HydrophobicContact CB-CZ 3.63Å; Q171-F182 HydrophobicContact CG-CD2 4.45Å; Q171-F182 HydrophobicContact CG-CE2 4.5Å; I172-F182 HydrophobicContact CG1-CE1 3.84Å; I172-F182 HydrophobicContact CG1-CZ 3.94Å; L175-F182 HydrophobicContact CD1-CD1 3.98Å; L175-F182 HydrophobicContact CD1-CE1 3.99Å; L175-F182 HydrophobicContact CD2-CD1 4.02Å; L175-F182 HydrophobicContact CG-CD1 4.16Å; L175-F182 HydrophobicContact CG-CE1 4.45Å; F182-L184 HydrophobicContact CE2-CD2 4.22Å; F182-K194 CarbonylContact O-C 3.46Å; F182-K194 VanDerWaalsContact O-CA 3.24Å; F182-K194 WeakPolarHBondContact O-CA 3.23Å; F182-K194 WeakPolarHBondContact O-CB 3.42Å; F182-A195 HydrophobicContact CD1-CB 3.97Å; F182-A195 HydrophobicContact CD2-CB 4.19Å; F182-A195 HydrophobicContact CE1-CB 3.5Å; F182-A195 HydrophobicContact CE2-CB 3.76Å; F182-A195 HydrophobicContact CG-CB 4.29Å; F182-A195 HydrophobicContact CZ-CB 3.4Å; F182-A195 PolarHBondContact N-O 2.91Å; F182-A195 PolarHBondContact O-N 3.29Å
183	P	98.5	Very high	97.7	Very high	59 Å²	59	50.5 Å²	50.5	38%	0.383	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	144.5	-176.4	29.8	-35.1	0	0	0	112.5	V191	P183-V191 HydrophobicContact CB-CG1 3.75Å; P183-V191 HydrophobicContact CB-CG2 4.04Å
184	L	98.5	Very high	97.8	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	91.8	166.6	-55.6	172.3	0	0	0	107.7	F130 L156 V162 F182 L192 G193 A195 Y207	F130-L184 HydrophobicContact CD1-CD1 3.8Å; F130-L184 HydrophobicContact CD2-CB 4.19Å; F130-L184 HydrophobicContact CD2-CD1 4.18Å; F130-L184 HydrophobicContact CE1-CD1 3.72Å; F130-L184 HydrophobicContact CE2-CB 3.92Å; F130-L184 HydrophobicContact CE2-CD1 4.11Å; F130-L184 HydrophobicContact CG-CD1 4.03Å; F130-L184 HydrophobicContact CZ-CB 4.31Å; F130-L184 HydrophobicContact CZ-CD1 3.89Å; L156-L184 HydrophobicContact CD1-CD2 4.18Å; V162-L184 HydrophobicContact CG1-CD2 4.33Å; F182-L184 HydrophobicContact CE2-CD2 4.22Å; L184-L192 PolarHBondContact O-N 2.73Å; L184-G193 PolarHBondContact N-O 3.44Å; L184-A195 HydrophobicContact CD2-CB 4.22Å; L184-Y207 HydrophobicContact CD1-CD1 3.82Å; L184-Y207 HydrophobicContact CD2-CD1 4.15Å; L184-Y207 HydrophobicContact CD2-CE1 4.35Å
185	T	98	Very high	97.8	Very high	69 Å²	69	46.1 Å²	46.1	42%	0.423	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	119.3	-176	-50.4	0	0	0	0	110	V162	V162-T185 VanDerWaalsContact CG2-O 3.31Å; V162-T185 WeakPolarHBondContact CG2-O 3.48Å
186	A	96.7	Very high	97.8	Very high	5 Å²	5	45.4 Å²	45.4	4%	0.041	28%	0.281	C	S	.	.			trans	-65.3	162.3	173.8	0	0	0	0	0	111.8	Q160 S188 G189 K190 L192	Q160-A186 HydrophobicContact CB-CB 3.82Å; Q160-A186 CarbonylContact O-C 3.53Å; Q160-A186 VanDerWaalsContact O-CA 3.23Å; Q160-A186 WeakPolarHBondContact O-CA 3.27Å; A186-S188 PolarHBondContact O-N 3Å; A186-S188 VanDerWaalsContact O-N 3.07Å; A186-G189 WeakPolarHBondContact O-CA 3.34Å; A186-G189 PolarHBondContact O-N 2.84Å; A186-K190 WeakPolarHBondContact CB-O 3.13Å; A186-K190 PolarHBondContact N-O 3.46Å; A186-L192 HydrophobicContact CB-CD1 3.82Å; A186-L192 HydrophobicContact CB-CG 4.22Å
187	A	95.8	Very high	97.9	Very high	90 Å²	90	40.9 Å²	40.9	74%	0.744	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.8	172.9	0	0	0	0	0	113.2	Q160 G189	Q160-A187 PolarHBondContact O-N 3.35Å; A187-G189 PolarHBondContact O-N 3.31Å
188	S	95.3	Very high	97.9	Very high	90 Å²	90	34.9 Å²	34.9	63%	0.629	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-10.1	172.5	61	0	0	0	0	114.2	A186 K190	A186-S188 PolarHBondContact O-N 3Å; A186-S188 VanDerWaalsContact O-N 3.07Å; S188-K190 VanDerWaalsContact C-N 3.34Å; S188-K190 PolarHBondContact OG-N 2.89Å
189	G	97	Very high	97.8	Very high	54 Å²	54	34.9 Å²	34.9	56%	0.557	23%	0.229	S	C	*	.	S	Bend	trans	87.4	-6.5	-171.5	0	0	0	0	0	114.4	A186 A187	A186-G189 WeakPolarHBondContact O-CA 3.34Å; A186-G189 PolarHBondContact O-N 2.84Å; A187-G189 PolarHBondContact O-N 3.31Å
190	K	97.4	Very high	97.7	Very high	63 Å²	63	38.7 Å²	38.7	27%	0.274	24%	0.243	S	C	.	.			trans	-74.1	132.5	177.7	-173.6	175	176.1	-176.7	0	110.7	E29 E134 A186 S188 L192	E29-K190 IonicContact OE1-NZ 3.26Å; E29-K190 PolarHBondContact OE1-NZ 3.46Å; E29-K190 IonicContact OE2-NZ 3.6Å; E134-K190 IonicContact OE2-NZ 2.87Å; E134-K190 PolarHBondContact OE2-NZ 2.81Å; A186-K190 WeakPolarHBondContact CB-O 3.13Å; A186-K190 PolarHBondContact N-O 3.46Å; S188-K190 VanDerWaalsContact C-N 3.34Å; S188-K190 PolarHBondContact OG-N 2.89Å; K190-L192 HydrophobicContact CB-CD2 4.49Å; K190-L192 HydrophobicContact CD-CD2 3.69Å; K190-L192 HydrophobicContact CG-CD2 3.89Å; K190-L192 PolarHBondContact O-N 2.92Å
191	V	98.4	Very high	97.5	Very high	62 Å²	62	45.4 Å²	45.4	38%	0.376	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.9	169.7	-178.9	0	0	0	0	108.7	P183 G193 L216	P183-V191 HydrophobicContact CB-CG1 3.75Å; P183-V191 HydrophobicContact CB-CG2 4.04Å; V191-G193 WeakPolarHBondContact CG1-O 3.32Å; V191-L216 HydrophobicContact CG1-CD2 3.69Å
192	L	98.1	Very high	97.3	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-12.8	-175.8	-67.6	-179.4	0	0	0	113.5	F130 E134 Q160 L184 A186 K190 S209	F130-L192 HydrophobicContact CB-CB 4.3Å; F130-L192 HydrophobicContact CD2-CB 3.8Å; F130-L192 HydrophobicContact CD2-CD1 4.47Å; F130-L192 PolarHBondContact N-O 3.06Å; E134-L192 HydrophobicContact CG-CD1 4.45Å; E134-L192 HydrophobicContact CG-CD2 3.99Å; Q160-L192 HydrophobicContact CB-CD1 3.88Å; Q160-L192 HydrophobicContact CG-CD1 3.68Å; L184-L192 PolarHBondContact O-N 2.73Å; A186-L192 HydrophobicContact CB-CD1 3.82Å; A186-L192 HydrophobicContact CB-CG 4.22Å; K190-L192 HydrophobicContact CB-CD2 4.49Å; K190-L192 HydrophobicContact CD-CD2 3.69Å; K190-L192 HydrophobicContact CG-CD2 3.89Å; K190-L192 PolarHBondContact O-N 2.92Å; L192-S209 WeakPolarHBondContact O-CB 3.44Å
193	G	98.7	Very high	97.2	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.9	-174.3	179.4	0	0	0	0	0	111.6	L184 V191 V208	L184-G193 PolarHBondContact N-O 3.44Å; V191-G193 WeakPolarHBondContact CG1-O 3.32Å; G193-V208 CarbonylContact C-O 3.52Å; G193-V208 WeakPolarHBondContact CA-O 3.44Å
194	K	98.9	Very high	97.1	Very high	48 Å²	48	50 Å²	50	21%	0.209	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	142.8	169.6	-61.6	-163.5	-176	168.8	0	110.8	F182 V208 L216 D217 V220	F182-K194 CarbonylContact O-C 3.46Å; F182-K194 VanDerWaalsContact O-CA 3.24Å; F182-K194 WeakPolarHBondContact O-CA 3.23Å; F182-K194 WeakPolarHBondContact O-CB 3.42Å; K194-V208 PolarHBondContact N-O 3.13Å; K194-V208 PolarHBondContact O-N 2.65Å; K194-L216 HydrophobicContact CG-CD1 4.45Å; K194-L216 HydrophobicContact CG-CD2 4.04Å; K194-L216 HydrophobicContact CG-CG 4.24Å; K194-D217 IonicContact NZ-OD1 3.92Å; K194-V220 HydrophobicContact CB-CG2 3.91Å; K194-V220 HydrophobicContact CD-CG2 4.02Å; K194-V220 HydrophobicContact CG-CG2 4.09Å
195	A	98.8	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	124.7	160.1	0	0	0	0	0	108.2	S181 F182 L184 P205 Y207	S181-A195 CarbonylContact C-O 3.6Å; S181-A195 WeakPolarHBondContact CA-O 3.32Å; S181-A195 WeakPolarHBondContact CB-O 3.34Å; F182-A195 HydrophobicContact CD1-CB 3.97Å; F182-A195 HydrophobicContact CD2-CB 4.19Å; F182-A195 HydrophobicContact CE1-CB 3.5Å; F182-A195 HydrophobicContact CE2-CB 3.76Å; F182-A195 HydrophobicContact CG-CB 4.29Å; F182-A195 HydrophobicContact CZ-CB 3.4Å; F182-A195 PolarHBondContact N-O 2.91Å; F182-A195 PolarHBondContact O-N 3.29Å; L184-A195 HydrophobicContact CD2-CB 4.22Å; A195-P205 HydrophobicContact CB-CB 4.3Å; A195-Y207 HydrophobicContact CB-CD1 3.95Å; A195-Y207 HydrophobicContact CB-CE1 3.79Å
196	L	98.8	Very high	97.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.7	-176.4	169.4	64.2	0	0	0	109.8	S198 P205 V206 V208 V220 T223 H224	L196-S198 PolarHBondContact O-N 2.91Å; L196-S198 VanDerWaalsContact O-N 3.12Å; L196-P205 CarbonylContact O-C 3.43Å; L196-P205 WeakPolarHBondContact O-CA 3.33Å; L196-P205 VanDerWaalsContact O-CB 3.25Å; L196-P205 WeakPolarHBondContact O-CB 3.17Å; L196-V206 HydrophobicContact CB-CG2 4.09Å; L196-V206 HydrophobicContact CD2-CG2 4.18Å; L196-V206 HydrophobicContact CG-CG2 4.32Å; L196-V206 PolarHBondContact N-O 2.77Å; L196-V206 PolarHBondContact O-N 3.49Å; L196-V208 HydrophobicContact CB-CG2 4.11Å; L196-V208 HydrophobicContact CD2-CG2 3.96Å; L196-V220 HydrophobicContact CD1-CG1 4.09Å; L196-V220 HydrophobicContact CD2-CG1 4.35Å; L196-T223 HydrophobicContact CD2-CG2 3.81Å; L196-H224 HydrophobicContact CD1-CB 4.44Å; L196-H224 HydrophobicContact CD2-CB 4.2Å
197	R	98.6	Very high	97.2	Very high	39 Å²	39	47 Å²	47	15%	0.147	27%	0.274	C	S	.	.			trans	-74.9	97.6	161.2	-177.6	168.6	-178.2	-177.1	-10.8	107.5	L175 Q176 G178 G179 D180 C199 D200 S202	L175-R197 HydrophobicContact CB-CB 3.97Å; L175-R197 HydrophobicContact CD1-CB 3.89Å; L175-R197 HydrophobicContact CG-CB 4.5Å; L175-R197 PolarHBondContact O-NH1 3.46Å; Q176-R197 PolarHBondContact O-NH1 3.14Å; G178-R197 CarbonylContact C-O 3.42Å; G178-R197 WeakPolarHBondContact CA-O 3.37Å; G179-R197 PolarHBondContact N-O 3.23Å; D180-R197 PolarHBondContact O-N 3.38Å; R197-C199 PolarHBondContact O-N 3.37Å; R197-D200 PolarHBondContact NH2-O 3.16Å; R197-S202 PolarHBondContact NE-O 3.19Å
198	S	96.5	Very high	97.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	24%	0.238	C	C	.	.			trans	-77.4	-17.2	-167.8	49.3	0	0	0	0	115	L196 H224 C227 R230	L196-S198 PolarHBondContact O-N 2.91Å; L196-S198 VanDerWaalsContact O-N 3.12Å; S198-H224 PolarHBondContact O-CD2 3.14Å; S198-C227 VanDerWaalsContact CB-SG 3.58Å; S198-C227 WeakPolarHBondContact O-CB 3.43Å; S198-R230 WeakPolarHBondContact CB-O 3.46Å; S198-R230 PolarHBondContact OG-O 3.29Å
199	C	95.9	Very high	97.6	Very high	14 Å²	14	38.5 Å²	38.5	10%	0.095	21%	0.209	C	C	.	.			trans	-158.2	162.1	173.8	70.2	0	0	0	0	111.4	R197 K201 S202 Y229	R197-C199 PolarHBondContact O-N 3.37Å; C199-K201 VanDerWaalsContact C-N 3.26Å; C199-K201 PolarHBondContact O-N 3.07Å; C199-S202 PolarHBondContact O-N 2.95Å; C199-S202 VanDerWaalsContact O-O 3.09Å; C199-Y229 VanDerWaalsContact SG-C 3.6Å
200	D	95.8	Very high	97.7	Very high	109 Å²	109	36.2 Å²	36.2	58%	0.583	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.1	179.8	-64.7	-33.9	0	0	0	112.9	G178 R197 S202	G178-D200 PolarHBondContact N-OD1 2.81Å; R197-D200 PolarHBondContact NH2-O 3.16Å; D200-S202 PolarHBondContact O-N 3.41Å
201	K	94.5	Very high	97.7	Very high	183 Å²	183	33.2 Å²	33.2	80%	0.796	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-7.9	-175.1	-61.7	178.6	-175.7	172.4	0	114.2	C199	C199-K201 VanDerWaalsContact C-N 3.26Å; C199-K201 PolarHBondContact O-N 3.07Å
202	S	95.4	Very high	97.7	Very high	29 Å²	29	30.9 Å²	30.9	20%	0.203	16%	0.156	C	C	.	.			trans	-138.6	130.3	179.1	-164	0	0	0	0	111.5	R197 C199 D200 K204	R197-S202 PolarHBondContact NE-O 3.19Å; C199-S202 PolarHBondContact O-N 2.95Å; C199-S202 VanDerWaalsContact O-O 3.09Å; D200-S202 PolarHBondContact O-N 3.41Å; S202-K204 PolarHBondContact OG-N 2.93Å
203	S	94.7	Very high	97.8	Very high	86 Å²	86	34.1 Å²	34.1	60%	0.601	17%	0.168	S	C	*	.			trans	-83.1	-16.1	170.5	54.6	0	0	0	0	112.8	P205	S203-P205 WeakPolarHBondContact O-CD 3.26Å
204	K	97.5	Very high	97.8	Very high	102 Å²	102	34.1 Å²	34.1	44%	0.443	17%	0.168	S	C	.	.	S	Bend	trans	-78.9	113.5	-179.6	-173	-179.3	176.6	-178.6	0	109.4	N155 S202 R230	N155-K204 PolarHBondContact OD1-NZ 3.26Å; S202-K204 PolarHBondContact OG-N 2.93Å; K204-R230 PolarHBondContact O-NE 3.32Å
205	P	98.3	Very high	97.8	Very high	2 Å²	2	33 Å²	33	1%	0.013	17%	0.166	C	C	.	.			trans	-69.7	166.2	-176.3	32.6	-39.2	0	0	0	112	I172 A195 L196 S203 Y207 R230	I172-P205 HydrophobicContact CD1-CG 3.83Å; I172-P205 HydrophobicContact CG1-CG 3.96Å; A195-P205 HydrophobicContact CB-CB 4.3Å; L196-P205 CarbonylContact O-C 3.43Å; L196-P205 WeakPolarHBondContact O-CA 3.33Å; L196-P205 VanDerWaalsContact O-CB 3.25Å; L196-P205 WeakPolarHBondContact O-CB 3.17Å; S203-P205 WeakPolarHBondContact O-CD 3.26Å; P205-Y207 HydrophobicContact CG-CE1 4.44Å; P205-Y207 HydrophobicContact CG-CE2 4.41Å; P205-R230 PolarHBondContact O-NH2 3.2Å
206	V	98.8	Very high	97.8	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	157	157.2	-62.9	0	0	0	0	108.8	V152 L196 V208 T223 R230	V152-V206 HydrophobicContact CG1-CB 3.82Å; V152-V206 HydrophobicContact CG1-CG1 4.36Å; V152-V206 HydrophobicContact CG1-CG2 3.93Å; L196-V206 HydrophobicContact CB-CG2 4.09Å; L196-V206 HydrophobicContact CD2-CG2 4.18Å; L196-V206 HydrophobicContact CG-CG2 4.32Å; L196-V206 PolarHBondContact N-O 2.77Å; L196-V206 PolarHBondContact O-N 3.49Å; V206-V208 HydrophobicContact CG2-CG2 4.14Å; V206-T223 HydrophobicContact CG2-CG2 4.39Å; V206-R230 HydrophobicContact CG1-CG 4.4Å; V206-R230 WeakPolarHBondContact CG1-O 3.41Å
207	Y	98.9	Very high	97.8	Very high	11 Å²	11	38.4 Å²	38.4	4%	0.043	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.9	-178.6	-59.3	-85.3	0	0	0	108.7	V152 A153 N155 L156 H168 L184 A195 P205	V152-Y207 WeakPolarHBondContact CA-O 3.44Å; A153-Y207 PolarHBondContact N-O 3.18Å; A153-Y207 PolarHBondContact O-N 3.45Å; N155-Y207 VanDerWaalsContact C-CE2 3.41Å; N155-Y207 WeakPolarHBondContact O-CD2 3.49Å; L156-Y207 HydrophobicContact CB-CD2 4.43Å; L156-Y207 HydrophobicContact CB-CE1 3.98Å; L156-Y207 HydrophobicContact CB-CE2 3.87Å; L156-Y207 HydrophobicContact CD1-CD1 3.66Å; L156-Y207 HydrophobicContact CD1-CE1 3.47Å; L156-Y207 VanDerWaalsContact CD1-CE1 3.47Å; L156-Y207 HydrophobicContact CD1-CG 4.36Å; L156-Y207 HydrophobicContact CG-CE1 4.28Å; H168-Y207 AromaticContact CE1-CE1 3.68Å; H168-Y207 AromaticContact NE2-CE1 3.61Å; H168-Y207 AromaticContact NE2-CZ 3.76Å; H168-Y207 PolarHBondContact NE2-OH 2.64Å; L184-Y207 HydrophobicContact CD1-CD1 3.82Å; L184-Y207 HydrophobicContact CD2-CD1 4.15Å; L184-Y207 HydrophobicContact CD2-CE1 4.35Å; A195-Y207 HydrophobicContact CB-CD1 3.95Å; A195-Y207 HydrophobicContact CB-CE1 3.79Å; P205-Y207 HydrophobicContact CG-CE1 4.44Å; P205-Y207 HydrophobicContact CG-CE2 4.41Å
208	V	98.9	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.1	-174.6	-174.5	0	0	0	0	109	V150 G151 V152 G193 K194 L196 V206 A219 V220 T223	V150-V208 HydrophobicContact CG1-CG1 3.73Å; G151-V208 CarbonylContact O-C 3.29Å; G151-V208 WeakPolarHBondContact O-CA 3.3Å; V152-V208 HydrophobicContact CG1-CG2 4.45Å; V152-V208 HydrophobicContact CG2-CG2 4.43Å; G193-V208 CarbonylContact C-O 3.52Å; G193-V208 WeakPolarHBondContact CA-O 3.44Å; K194-V208 PolarHBondContact N-O 3.13Å; K194-V208 PolarHBondContact O-N 2.65Å; L196-V208 HydrophobicContact CB-CG2 4.11Å; L196-V208 HydrophobicContact CD2-CG2 3.96Å; V206-V208 HydrophobicContact CG2-CG2 4.14Å; V208-A219 HydrophobicContact CG1-CB 4.12Å; V208-V220 HydrophobicContact CB-CG2 3.91Å; V208-V220 HydrophobicContact CG1-CG2 3.9Å; V208-T223 HydrophobicContact CG2-CG2 3.84Å
209	S	98.9	Very high	97.9	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.5	175	53.3	0	0	0	0	110.5	G128 G151 L192 G211	G128-S209 PolarHBondContact N-OG 2.78Å; G151-S209 PolarHBondContact N-O 3.22Å; G151-S209 PolarHBondContact O-N 2.81Å; L192-S209 WeakPolarHBondContact O-CB 3.44Å; S209-G211 PolarHBondContact O-N 3.1Å
210	V	98.9	Very high	98	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	130.5	175.7	175.1	0	0	0	0	109.1	G128 L129 I214 L216	G128-V210 CarbonylContact C-O 3.47Å; G128-V210 VanDerWaalsContact CA-O 3.25Å; G128-V210 WeakPolarHBondContact CA-O 3.32Å; L129-V210 HydrophobicContact CD1-CB 3.83Å; L129-V210 HydrophobicContact CD1-CG1 4.26Å; L129-V210 HydrophobicContact CG-CB 4.15Å; L129-V210 PolarHBondContact N-O 3.32Å; V210-I214 HydrophobicContact CG1-CG2 4.38Å; V210-I214 WeakPolarHBondContact CG1-O 3.49Å; V210-I214 WeakPolarHBondContact CG2-O 3.42Å; V210-L216 HydrophobicContact CG2-CB 3.82Å; V210-L216 HydrophobicContact CG2-CD1 4.37Å
211	G	98.8	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-65.7	164.7	0	0	0	0	0	110.2	V27 C139 C149 S209	V27-G211 WeakPolarHBondContact CG1-O 3.32Å; C139-G211 VanDerWaalsContact CA-O 3.27Å; C139-G211 WeakPolarHBondContact CA-O 3.38Å; C139-G211 PolarHBondContact SG-O 2.9Å; C149-G211 CarbonylContact O-C 3.22Å; C149-G211 WeakPolarHBondContact O-CA 3.14Å; C149-G211 PolarHBondContact O-N 3.43Å; S209-G211 PolarHBondContact O-N 3.1Å
212	H	98.9	Very high	98.4	Very high	14 Å²	14	25.6 Å²	25.6	7%	0.065	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	145.4	-177.7	-173.1	61.2	0	0	0	110.3	E26 V28 G142 P148 C149 I214	E26-H212 PolarHBondContact O-CE1 2.87Å; V28-H212 PolarHBondContact N-ND1 2.91Å; V28-H212 CarbonylContact O-C 3.14Å; G142-H212 PolarHBondContact O-CD2 3.2Å; P148-H212 CarbonylContact C-O 3.55Å; P148-H212 VanDerWaalsContact CA-O 3.23Å; P148-H212 WeakPolarHBondContact CA-O 3.25Å; C149-H212 HydrophobicContact CB-CB 4.42Å; C149-H212 PolarHBondContact N-O 3.06Å; C149-H212 PolarHBondContact O-N 2.69Å; C149-H212 VanDerWaalsContact O-N 3.07Å; H212-I214 PolarHBondContact O-N 3.34Å; H212-I214 VanDerWaalsContact O-N 3.13Å
213	R	98.9	Very high	98.5	Very high	70 Å²	70	24.2 Å²	24.2	26%	0.264	12%	0.122	S	C	.	.	S	Bend	trans	53.3	34.2	169.7	-71.1	-178.6	74.4	-172.5	3.2	115.1	V28 E30 T32 E33 Q36 G146 P148	V28-R213 HydrophobicContact CB-CG 3.84Å; V28-R213 HydrophobicContact CG1-CG 4.34Å; V28-R213 HydrophobicContact CG2-CG 4.16Å; V28-R213 PolarHBondContact O-N 2.82Å; E30-R213 CarbonylContact O-C 3.15Å; T32-R213 HydrophobicContact CG2-CB 4.06Å; T32-R213 HydrophobicContact CG2-CG 3.92Å; T32-R213 WeakPolarHBondContact OG1-CB 3.33Å; T32-R213 PolarHBondContact OG1-NE 3.25Å; T32-R213 PolarHBondContact OG1-NH2 2.74Å; T32-R213 VanDerWaalsContact OG1-NH2 3.12Å; E33-R213 IonicContact OE1-CZ 3.84Å; E33-R213 IonicContact OE1-NH2 2.65Å; E33-R213 PolarHBondContact OE1-NH2 3.48Å; Q36-R213 PolarHBondContact NE2-O 2.81Å; Q36-R213 PolarHBondContact OE1-O 3.47Å; G146-R213 PolarHBondContact O-NH1 3.39Å; P148-R213 HydrophobicContact CB-CB 4.4Å; P148-R213 HydrophobicContact CG-CB 4.17Å
214	I	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-151.3	139	174.7	-168.1	167.6	0	0	0	108.9	E30 W35 V121 C149 V150 V210 H212 A218 A219	E30-I214 PolarHBondContact O-N 3.13Å; E30-I214 VanDerWaalsContact O-N 3.13Å; W35-I214 HydrophobicContact CH2-CD1 4.42Å; V121-I214 HydrophobicContact CG2-CD1 4.48Å; C149-I214 WeakPolarHBondContact O-CG2 3.48Å; V150-I214 HydrophobicContact CG2-CD1 3.81Å; V150-I214 HydrophobicContact CG2-CG2 3.99Å; V210-I214 HydrophobicContact CG1-CG2 4.38Å; V210-I214 WeakPolarHBondContact CG1-O 3.49Å; V210-I214 WeakPolarHBondContact CG2-O 3.42Å; H212-I214 PolarHBondContact O-N 3.34Å; H212-I214 VanDerWaalsContact O-N 3.13Å; I214-A218 HydrophobicContact CD1-CB 4.23Å; I214-A218 HydrophobicContact CG1-CB 3.8Å; I214-A219 HydrophobicContact CD1-CB 4.21Å; I214-A219 HydrophobicContact CG1-CB 4.34Å; I214-A219 HydrophobicContact CG2-CB 4.27Å
215	S	98.8	Very high	98.8	Very high	24 Å²	24	22 Å²	22	17%	0.168	11%	0.106	C	C	.	.			trans	-71.3	154.5	174.3	72.9	0	0	0	0	111.3	E29 D31 D217 A218 A219	E29-S215 WeakPolarHBondContact O-CA 3.47Å; D31-S215 VanDerWaalsContact CG-OG 3.29Å; D31-S215 PolarHBondContact OD1-N 2.91Å; D31-S215 PolarHBondContact OD1-OG 3.45Å; D31-S215 VanDerWaalsContact OD2-CB 3.31Å; D31-S215 WeakPolarHBondContact OD2-CB 3.33Å; D31-S215 PolarHBondContact OD2-OG 3.25Å; S215-D217 PolarHBondContact O-N 2.83Å; S215-A218 PolarHBondContact O-N 3.34Å; S215-A218 VanDerWaalsContact OG-CB 3.31Å; S215-A218 WeakPolarHBondContact OG-CB 3.06Å; S215-A218 PolarHBondContact OG-N 2.9Å; S215-A218 VanDerWaalsContact OG-N 3.16Å; S215-A219 VanDerWaalsContact O-CB 3.29Å; S215-A219 WeakPolarHBondContact O-CB 3.46Å; S215-A219 PolarHBondContact O-N 3.02Å
216	L	98.9	Very high	98.8	Very high	33 Å²	33	22 Å²	22	17%	0.173	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-34.3	177.1	-179.4	58.7	0	0	0	111.9	V191 K194 V210 V220	V191-L216 HydrophobicContact CG1-CD2 3.69Å; K194-L216 HydrophobicContact CG-CD1 4.45Å; K194-L216 HydrophobicContact CG-CD2 4.04Å; K194-L216 HydrophobicContact CG-CG 4.24Å; V210-L216 HydrophobicContact CG2-CB 3.82Å; V210-L216 HydrophobicContact CG2-CD1 4.37Å; L216-V220 HydrophobicContact CD1-CG2 4.15Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 WeakPolarHBondContact O-CG2 3.24Å; L216-V220 PolarHBondContact O-N 2.91Å; L216-V220 VanDerWaalsContact O-N 3.08Å
217	D	98.6	Very high	98.7	Very high	81 Å²	81	22.8 Å²	22.8	43%	0.433	11%	0.111	S	C	.	.	H	α-helix	trans	-67.9	-50.2	177.6	-170.3	76.6	0	0	0	111.8	K194 S215 A219 V220 R221	K194-D217 IonicContact NZ-OD1 3.92Å; S215-D217 PolarHBondContact O-N 2.83Å; D217-A219 VanDerWaalsContact C-N 3.31Å; D217-A219 PolarHBondContact O-N 2.93Å; D217-V220 PolarHBondContact O-N 2.92Å; D217-R221 WeakPolarHBondContact O-CG 3.33Å; D217-R221 PolarHBondContact O-N 3.3Å; D217-R221 IonicContact OD2-NE 3.5Å; D217-R221 PolarHBondContact OD2-NE 3.43Å
218	A	98.8	Very high	98.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.5	-42.1	175.9	0	0	0	0	0	111.7	D31 F41 I214 S215 V220 R221 L222	D31-A218 VanDerWaalsContact OD1-CB 3.27Å; D31-A218 WeakPolarHBondContact OD1-CB 3.25Å; F41-A218 HydrophobicContact CE1-CB 4.34Å; I214-A218 HydrophobicContact CD1-CB 4.23Å; I214-A218 HydrophobicContact CG1-CB 3.8Å; S215-A218 PolarHBondContact O-N 3.34Å; S215-A218 VanDerWaalsContact OG-CB 3.31Å; S215-A218 WeakPolarHBondContact OG-CB 3.06Å; S215-A218 PolarHBondContact OG-N 2.9Å; S215-A218 VanDerWaalsContact OG-N 3.16Å; A218-V220 PolarHBondContact O-N 2.93Å; A218-R221 PolarHBondContact O-N 3.42Å; A218-L222 VanDerWaalsContact O-CB 3.24Å; A218-L222 WeakPolarHBondContact O-CB 3.23Å; A218-L222 PolarHBondContact O-N 3.14Å
219	A	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-59.1	-44.1	176.5	0	0	0	0	0	112.6	V150 V208 I214 S215 D217 T223	V150-A219 HydrophobicContact CG1-CB 3.92Å; V150-A219 HydrophobicContact CG2-CB 3.87Å; V208-A219 HydrophobicContact CG1-CB 4.12Å; I214-A219 HydrophobicContact CD1-CB 4.21Å; I214-A219 HydrophobicContact CG1-CB 4.34Å; I214-A219 HydrophobicContact CG2-CB 4.27Å; S215-A219 VanDerWaalsContact O-CB 3.29Å; S215-A219 WeakPolarHBondContact O-CB 3.46Å; S215-A219 PolarHBondContact O-N 3.02Å; D217-A219 VanDerWaalsContact C-N 3.31Å; D217-A219 PolarHBondContact O-N 2.93Å; A219-T223 VanDerWaalsContact O-CB 3.3Å; A219-T223 WeakPolarHBondContact O-CB 3.38Å; A219-T223 PolarHBondContact O-N 2.61Å; A219-T223 PolarHBondContact O-OG1 2.87Å
220	V	98.8	Very high	98.4	Very high	8 Å²	8	36.3 Å²	36.3	5%	0.048	16%	0.163	C	C	.	.	H	α-helix	trans	-69.1	-46.1	179.1	170.3	0	0	0	0	111.2	K194 L196 V208 L216 D217 A218 T223 H224	K194-V220 HydrophobicContact CB-CG2 3.91Å; K194-V220 HydrophobicContact CD-CG2 4.02Å; K194-V220 HydrophobicContact CG-CG2 4.09Å; L196-V220 HydrophobicContact CD1-CG1 4.09Å; L196-V220 HydrophobicContact CD2-CG1 4.35Å; V208-V220 HydrophobicContact CB-CG2 3.91Å; V208-V220 HydrophobicContact CG1-CG2 3.9Å; L216-V220 HydrophobicContact CD1-CG2 4.15Å; L216-V220 WeakPolarHBondContact O-CB 3.47Å; L216-V220 WeakPolarHBondContact O-CG2 3.24Å; L216-V220 PolarHBondContact O-N 2.91Å; L216-V220 VanDerWaalsContact O-N 3.08Å; D217-V220 PolarHBondContact O-N 2.92Å; A218-V220 PolarHBondContact O-N 2.93Å; V220-T223 PolarHBondContact O-N 3.15Å; V220-H224 PolarHBondContact O-N 3.37Å
221	R	98.6	Very high	98.4	Very high	71 Å²	71	37.1 Å²	37.1	27%	0.268	17%	0.168	S	C	.	.	H	α-helix	trans	-59.1	-48.5	176.4	-72.6	-168.7	-61.8	115	3.4	111.3	Q36 P39 F41 D217 A218 H224 L225	Q36-R221 PolarHBondContact O-NH2 3.28Å; Q36-R221 VanDerWaalsContact O-NH2 3.17Å; P39-R221 PolarHBondContact O-NH1 2.73Å; F41-R221 HydrophobicContact CE2-CB 4.05Å; F41-R221 HydrophobicContact CZ-CB 3.84Å; D217-R221 WeakPolarHBondContact O-CG 3.33Å; D217-R221 PolarHBondContact O-N 3.3Å; D217-R221 IonicContact OD2-NE 3.5Å; D217-R221 PolarHBondContact OD2-NE 3.43Å; A218-R221 PolarHBondContact O-N 3.42Å; R221-H224 PolarHBondContact O-N 3.11Å; R221-L225 WeakPolarHBondContact O-CG 3.37Å; R221-L225 PolarHBondContact O-N 3.08Å
222	L	98.8	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-42.2	-179.7	-172.1	67.9	0	0	0	111.5	W35 F41 L44 Y71 V121 F123 A218 H224 L225 C226	W35-L222 HydrophobicContact CH2-CD2 4.29Å; W35-L222 HydrophobicContact CZ3-CD2 4.1Å; F41-L222 HydrophobicContact CD1-CD1 4.31Å; F41-L222 HydrophobicContact CD2-CD1 3.8Å; F41-L222 HydrophobicContact CE1-CB 4.18Å; F41-L222 HydrophobicContact CE1-CD1 4.41Å; F41-L222 HydrophobicContact CE2-CB 3.95Å; F41-L222 HydrophobicContact CE2-CD1 3.93Å; F41-L222 HydrophobicContact CG-CD1 3.99Å; F41-L222 HydrophobicContact CZ-CB 3.66Å; F41-L222 HydrophobicContact CZ-CD1 4.22Å; L44-L222 HydrophobicContact CD2-CD1 3.43Å; L44-L222 VanDerWaalsContact CD2-CD1 3.43Å; L44-L222 HydrophobicContact CD2-CD2 4.23Å; L44-L222 HydrophobicContact CD2-CG 4.47Å; Y71-L222 HydrophobicContact CE2-CD1 3.85Å; V121-L222 HydrophobicContact CG1-CD2 3.72Å; V121-L222 HydrophobicContact CG2-CD2 4.23Å; F123-L222 HydrophobicContact CE2-CD2 3.87Å; F123-L222 HydrophobicContact CE2-CG 4.24Å; F123-L222 HydrophobicContact CZ-CB 4.42Å; F123-L222 HydrophobicContact CZ-CD2 3.77Å; F123-L222 HydrophobicContact CZ-CG 3.8Å; A218-L222 VanDerWaalsContact O-CB 3.24Å; A218-L222 WeakPolarHBondContact O-CB 3.23Å; A218-L222 PolarHBondContact O-N 3.14Å; L222-H224 VanDerWaalsContact C-N 3.28Å; L222-H224 PolarHBondContact O-N 3.25Å; L222-L225 PolarHBondContact O-N 3.26Å; L222-C226 PolarHBondContact O-N 3.1Å; L222-C226 PolarHBondContact O-SG 2.87Å; L222-C226 VanDerWaalsContact O-SG 3.4Å
223	T	98.8	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.2	-46.9	174.9	-59.1	0	0	0	0	111	F123 V152 L196 V206 V208 A219 V220 C226 C227 P232	F123-T223 HydrophobicContact CE1-CG2 4.41Å; F123-T223 WeakPolarHBondContact CE1-OG1 3.39Å; V152-T223 HydrophobicContact CG1-CG2 4.14Å; V152-T223 HydrophobicContact CG2-CG2 3.93Å; L196-T223 HydrophobicContact CD2-CG2 3.81Å; V206-T223 HydrophobicContact CG2-CG2 4.39Å; V208-T223 HydrophobicContact CG2-CG2 3.84Å; A219-T223 VanDerWaalsContact O-CB 3.3Å; A219-T223 WeakPolarHBondContact O-CB 3.38Å; A219-T223 PolarHBondContact O-N 2.61Å; A219-T223 PolarHBondContact O-OG1 2.87Å; V220-T223 PolarHBondContact O-N 3.15Å; T223-C226 PolarHBondContact O-N 2.96Å; T223-C227 PolarHBondContact O-N 2.82Å; T223-C227 PolarHBondContact O-SG 3.38Å; T223-P232 HydrophobicContact CG2-CB 4.4Å; T223-P232 HydrophobicContact CG2-CG 4.23Å
224	H	98.6	Very high	98.3	Very high	61 Å²	61	33.2 Å²	33.2	28%	0.282	15%	0.153	S	C	.	.	H	α-helix	trans	-61.1	-45	177.9	175.9	-117.5	0	0	0	112.3	G179 L196 S198 V220 R221 L222 C226 C227	G179-H224 PolarHBondContact N-CD2 3.39Å; G179-H224 VanDerWaalsContact N-CD2 3.28Å; G179-H224 PolarHBondContact N-NE2 2.72Å; G179-H224 VanDerWaalsContact N-NE2 3.19Å; L196-H224 HydrophobicContact CD1-CB 4.44Å; L196-H224 HydrophobicContact CD2-CB 4.2Å; S198-H224 PolarHBondContact O-CD2 3.14Å; V220-H224 PolarHBondContact O-N 3.37Å; R221-H224 PolarHBondContact O-N 3.11Å; L222-H224 VanDerWaalsContact C-N 3.28Å; L222-H224 PolarHBondContact O-N 3.25Å; H224-C226 VanDerWaalsContact C-N 3.25Å; H224-C226 PolarHBondContact O-N 2.92Å; H224-C227 WeakPolarHBondContact O-CB 3.38Å; H224-C227 PolarHBondContact O-N 2.64Å
225	L	98.2	Very high	98.3	Very high	81 Å²	81	33.3 Å²	33.3	42%	0.424	15%	0.153	S	C	.	.	H	α-helix	trans	-67.2	-25.5	178.3	-66.6	177.4	0	0	0	113.2	F41 Y71 R221 L222 C227	F41-L225 HydrophobicContact CD2-CD1 3.6Å; F41-L225 HydrophobicContact CE2-CD1 3.6Å; Y71-L225 WeakPolarHBondContact OH-CD1 3.46Å; R221-L225 WeakPolarHBondContact O-CG 3.37Å; R221-L225 PolarHBondContact O-N 3.08Å; L222-L225 PolarHBondContact O-N 3.26Å; L225-C227 VanDerWaalsContact C-N 3.28Å; L225-C227 PolarHBondContact O-N 3.13Å
226	C	98.5	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.2	172.9	-67.8	0	0	0	0	113.8	L74 F123 L222 T223 H224 P232 E233	L74-C226 HydrophobicContact CD2-CB 4.42Å; F123-C226 HydrophobicContact CZ-CB 4.36Å; L222-C226 PolarHBondContact O-N 3.1Å; L222-C226 PolarHBondContact O-SG 2.87Å; L222-C226 VanDerWaalsContact O-SG 3.4Å; T223-C226 PolarHBondContact O-N 2.96Å; H224-C226 VanDerWaalsContact C-N 3.25Å; H224-C226 PolarHBondContact O-N 2.92Å; C226-P232 HydrophobicContact CB-CB 3.96Å; C226-P232 WeakPolarHBondContact O-CA 3.32Å; C226-E233 PolarHBondContact O-N 2.54Å
227	C	98	Very high	98.3	Very high	19 Å²	19	35 Å²	35	13%	0.128	16%	0.155	C	C	.	.			trans	-96.1	99	-176.2	-81.1	0	0	0	0	113.3	S198 T223 H224 L225 Y229 P232	S198-C227 VanDerWaalsContact CB-SG 3.58Å; S198-C227 WeakPolarHBondContact O-CB 3.43Å; T223-C227 PolarHBondContact O-N 2.82Å; T223-C227 PolarHBondContact O-SG 3.38Å; H224-C227 WeakPolarHBondContact O-CB 3.38Å; H224-C227 PolarHBondContact O-N 2.64Å; L225-C227 VanDerWaalsContact C-N 3.28Å; L225-C227 PolarHBondContact O-N 3.13Å; C227-Y229 VanDerWaalsContact C-N 3.33Å; C227-Y229 VanDerWaalsContact CB-O 3.28Å; C227-Y229 WeakPolarHBondContact CB-O 3.45Å; C227-P232 WeakPolarHBondContact SG-CA 3.27Å; C227-P232 VanDerWaalsContact SG-N 3.41Å
228	R	95.8	Very high	98.3	Very high	122 Å²	122	31.1 Å²	31.1	46%	0.46	13%	0.134	S	C	.	.	S	Bend	trans	-77.2	-24.3	161.3	-68.7	-177	168.5	147.9	-1.1	113	D73 L74 E233	D73-R228 PolarHBondContact O-NH2 3.05Å; L74-R228 HydrophobicContact CD1-CG 4.24Å; L74-R228 PolarHBondContact O-NH1 3.27Å; L74-R228 VanDerWaalsContact O-NH1 3.1Å; R228-E233 HydrophobicContact CB-CG 4.07Å; R228-E233 HydrophobicContact CG-CG 3.87Å
229	Y	96.4	Very high	98.2	Very high	125 Å²	125	32.4 Å²	32.4	49%	0.49	14%	0.141	S	C	.	.	S	Bend	trans	-132.6	-168	177.9	-54.6	-84.1	0	0	0	108.9	C199 C227 V231 E233	C199-Y229 VanDerWaalsContact SG-C 3.6Å; C227-Y229 VanDerWaalsContact C-N 3.33Å; C227-Y229 VanDerWaalsContact CB-O 3.28Å; C227-Y229 WeakPolarHBondContact CB-O 3.45Å; Y229-V231 VanDerWaalsContact C-N 3.34Å; Y229-V231 PolarHBondContact O-N 3.37Å; Y229-E233 VanDerWaalsContact CD2-OE1 3.25Å; Y229-E233 WeakPolarHBondContact CD2-OE1 3.5Å; Y229-E233 WeakPolarHBondContact CE2-OE1 3.49Å
230	R	97.7	Very high	98.1	Very high	48 Å²	48	35.6 Å²	35.6	18%	0.181	16%	0.16	C	C	.	.	S	Bend	trans	-58.4	-44	176.9	-179.2	-172.3	170	-112.1	-10.8	112.6	K154 S198 K204 P205 V206	K154-R230 PolarHBondContact O-NH2 3.23Å; S198-R230 WeakPolarHBondContact CB-O 3.46Å; S198-R230 PolarHBondContact OG-O 3.29Å; K204-R230 PolarHBondContact O-NE 3.32Å; P205-R230 PolarHBondContact O-NH2 3.2Å; V206-R230 HydrophobicContact CG1-CG 4.4Å; V206-R230 WeakPolarHBondContact CG1-O 3.41Å
231	V	98.2	Very high	98.1	Very high	23 Å²	23	37.6 Å²	37.6	14%	0.139	17%	0.167	C	C	.	.	S	Bend	trans	-94	135.8	-179.3	178.6	0	0	0	0	108.2	K154 Y229 I235 R236	K154-V231 HydrophobicContact CG-CG2 4.36Å; Y229-V231 VanDerWaalsContact C-N 3.34Å; Y229-V231 PolarHBondContact O-N 3.37Å; V231-I235 HydrophobicContact CG1-CB 3.89Å; V231-I235 HydrophobicContact CG1-CG2 3.55Å; V231-R236 HydrophobicContact CB-CB 4.48Å; V231-R236 HydrophobicContact CG1-CB 4.21Å
232	P	98.6	Very high	98	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.154	C	C	.	.			trans	-61.7	143.5	-179.8	26.9	-35.8	0	0	0	110.6	F123 V152 T223 C226 C227 P234 I235 R236	F123-P232 HydrophobicContact CD1-CG 4.35Å; V152-P232 HydrophobicContact CG1-CG 4.18Å; T223-P232 HydrophobicContact CG2-CB 4.4Å; T223-P232 HydrophobicContact CG2-CG 4.23Å; C226-P232 HydrophobicContact CB-CB 3.96Å; C226-P232 WeakPolarHBondContact O-CA 3.32Å; C227-P232 WeakPolarHBondContact SG-CA 3.27Å; C227-P232 VanDerWaalsContact SG-N 3.41Å; P232-P234 VanDerWaalsContact C-CD 3.47Å; P232-P234 VanDerWaalsContact C-N 3.35Å; P232-I235 HydrophobicContact CG-CB 4.24Å; P232-I235 HydrophobicContact CG-CD1 3.9Å; P232-I235 HydrophobicContact CG-CG1 4.29Å; P232-I235 PolarHBondContact O-N 2.88Å; P232-I235 VanDerWaalsContact O-N 3.11Å; P232-R236 PolarHBondContact O-N 2.69Å
233	E	98.8	Very high	97.8	Very high	2 Å²	2	41 Å²	41	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-52.4	-42.8	-173.1	-81.3	-65	129.9	0	0	113.6	L69 L74 C226 R228 Y229 I235 R236 Q237	L69-E233 HydrophobicContact CD2-CB 3.75Å; L74-E233 HydrophobicContact CB-CB 4.16Å; L74-E233 HydrophobicContact CB-CG 4.18Å; L74-E233 HydrophobicContact CD1-CB 4.05Å; L74-E233 HydrophobicContact CD1-CG 3.85Å; L74-E233 HydrophobicContact CG-CB 4.46Å; C226-E233 PolarHBondContact O-N 2.54Å; R228-E233 HydrophobicContact CB-CG 4.07Å; R228-E233 HydrophobicContact CG-CG 3.87Å; Y229-E233 VanDerWaalsContact CD2-OE1 3.25Å; Y229-E233 WeakPolarHBondContact CD2-OE1 3.5Å; Y229-E233 WeakPolarHBondContact CE2-OE1 3.49Å; E233-I235 PolarHBondContact O-N 3.01Å; E233-R236 PolarHBondContact O-N 3.17Å; E233-R236 IonicContact OE1-CZ 3.97Å; E233-R236 IonicContact OE1-NE 3.14Å; E233-R236 PolarHBondContact OE1-NE 2.83Å; E233-R236 IonicContact OE1-NH2 3.94Å; E233-R236 PolarHBondContact OE1-NH2 2.92Å; E233-R236 IonicContact OE2-CZ 3.21Å; E233-R236 IonicContact OE2-NE 2.64Å; E233-R236 PolarHBondContact OE2-NE 2.99Å; E233-R236 IonicContact OE2-NH2 2.92Å; E233-R236 PolarHBondContact OE2-NH2 3.04Å; E233-Q237 VanDerWaalsContact O-CB 3.32Å; E233-Q237 WeakPolarHBondContact O-CB 3.36Å; E233-Q237 WeakPolarHBondContact O-CG 3.34Å; E233-Q237 PolarHBondContact O-N 2.91Å; E233-Q237 PolarHBondContact OE2-NE2 2.68Å; E233-Q237 VanDerWaalsContact OE2-NE2 3.13Å
234	P	98.8	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-45.2	178.3	-25.6	35.6	0	0	0	113.1	V47 G48 V67 L69 F123 P232 A238	V47-P234 HydrophobicContact CB-CG 4.2Å; V47-P234 HydrophobicContact CG2-CG 3.63Å; G48-P234 WeakPolarHBondContact O-CB 3.37Å; V67-P234 VanDerWaalsContact CG2-O 3.32Å; V67-P234 WeakPolarHBondContact CG2-O 3.48Å; L69-P234 HydrophobicContact CD1-CB 4.47Å; L69-P234 HydrophobicContact CD2-CG 4.35Å; F123-P234 HydrophobicContact CB-CB 4.16Å; F123-P234 HydrophobicContact CD2-CB 4.26Å; F123-P234 HydrophobicContact CD2-CG 4.03Å; F123-P234 HydrophobicContact CG-CB 4.41Å; F123-P234 HydrophobicContact CG-CG 4.47Å; P232-P234 VanDerWaalsContact C-CD 3.47Å; P232-P234 VanDerWaalsContact C-N 3.35Å; P234-A238 WeakPolarHBondContact O-CB 3.4Å; P234-A238 PolarHBondContact O-N 2.98Å; P234-A238 VanDerWaalsContact O-N 3.08Å
235	I	98.6	Very high	97.5	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-69.2	-42.4	176.9	-69.4	173.5	0	0	0	110.9	F123 D125 V152 V231 P232 E233 Q237 A238 D239	F123-I235 HydrophobicContact CB-CD1 4.09Å; F123-I235 HydrophobicContact CB-CG1 3.87Å; D125-I235 HydrophobicContact CB-CD1 4.48Å; D125-I235 HydrophobicContact CB-CG2 3.78Å; V152-I235 HydrophobicContact CB-CD1 3.58Å; V152-I235 HydrophobicContact CG1-CD1 4.28Å; V152-I235 HydrophobicContact CG2-CD1 4.14Å; V231-I235 HydrophobicContact CG1-CB 3.89Å; V231-I235 HydrophobicContact CG1-CG2 3.55Å; P232-I235 HydrophobicContact CG-CB 4.24Å; P232-I235 HydrophobicContact CG-CD1 3.9Å; P232-I235 HydrophobicContact CG-CG1 4.29Å; P232-I235 PolarHBondContact O-N 2.88Å; P232-I235 VanDerWaalsContact O-N 3.11Å; E233-I235 PolarHBondContact O-N 3.01Å; I235-Q237 VanDerWaalsContact C-N 3.31Å; I235-Q237 PolarHBondContact O-N 3.16Å; I235-A238 PolarHBondContact O-N 2.84Å; I235-D239 WeakPolarHBondContact O-CB 3.39Å; I235-D239 PolarHBondContact O-N 3.22Å
236	R	98.4	Very high	97.2	Very high	64 Å²	64	41.3 Å²	41.3	24%	0.242	18%	0.178	C	C	.	.	H	α-helix	trans	-61.2	-42.3	179.5	-166.3	-166.3	65.6	66.2	-0	111.3	V231 P232 E233 V240	V231-R236 HydrophobicContact CB-CB 4.48Å; V231-R236 HydrophobicContact CG1-CB 4.21Å; P232-R236 PolarHBondContact O-N 2.69Å; E233-R236 PolarHBondContact O-N 3.17Å; E233-R236 IonicContact OE1-CZ 3.97Å; E233-R236 IonicContact OE1-NE 3.14Å; E233-R236 PolarHBondContact OE1-NE 2.83Å; E233-R236 IonicContact OE1-NH2 3.94Å; E233-R236 PolarHBondContact OE1-NH2 2.92Å; E233-R236 IonicContact OE2-CZ 3.21Å; E233-R236 IonicContact OE2-NE 2.64Å; E233-R236 PolarHBondContact OE2-NE 2.99Å; E233-R236 IonicContact OE2-NH2 2.92Å; E233-R236 PolarHBondContact OE2-NH2 3.04Å; R236-V240 WeakPolarHBondContact O-CB 3.34Å; R236-V240 VanDerWaalsContact O-CG2 3.27Å; R236-V240 WeakPolarHBondContact O-CG2 3.18Å; R236-V240 PolarHBondContact O-N 2.77Å
237	Q	98.7	Very high	96.9	Very high	29 Å²	29	48.5 Å²	48.5	14%	0.136	21%	0.205	C	C	.	.	H	α-helix	trans	-70.7	-35.3	179.7	-67	-71.7	8.6	0	0	111.8	V67 L69 V76 E233 I235 R241	V67-Q237 HydrophobicContact CG1-CB 4.5Å; V67-Q237 HydrophobicContact CG2-CB 4.2Å; L69-Q237 HydrophobicContact CD1-CB 4.38Å; L69-Q237 HydrophobicContact CD1-CG 4.48Å; L69-Q237 HydrophobicContact CD2-CG 4.15Å; V76-Q237 HydrophobicContact CG2-CB 4.37Å; V76-Q237 HydrophobicContact CG2-CG 4.03Å; E233-Q237 VanDerWaalsContact O-CB 3.32Å; E233-Q237 WeakPolarHBondContact O-CB 3.36Å; E233-Q237 WeakPolarHBondContact O-CG 3.34Å; E233-Q237 PolarHBondContact O-N 2.91Å; E233-Q237 PolarHBondContact OE2-NE2 2.68Å; E233-Q237 VanDerWaalsContact OE2-NE2 3.13Å; I235-Q237 VanDerWaalsContact C-N 3.31Å; I235-Q237 PolarHBondContact O-N 3.16Å; Q237-R241 WeakPolarHBondContact O-CB 3.45Å; Q237-R241 WeakPolarHBondContact O-CD 3.38Å; Q237-R241 WeakPolarHBondContact O-CG 3.46Å; Q237-R241 PolarHBondContact O-N 3.35Å; Q237-R241 PolarHBondContact O-NH1 3.46Å
238	A	98.3	Very high	96.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-52.4	172	0	0	0	0	0	111.2	D51 Q65 V67 P234 I235 V240 R241 S242	D51-A238 HydrophobicContact CB-CB 3.64Å; Q65-A238 HydrophobicContact CG-CB 4.04Å; Q65-A238 WeakPolarHBondContact CG-O 3.2Å; V67-A238 HydrophobicContact CG2-CB 4.12Å; P234-A238 WeakPolarHBondContact O-CB 3.4Å; P234-A238 PolarHBondContact O-N 2.98Å; P234-A238 VanDerWaalsContact O-N 3.08Å; I235-A238 PolarHBondContact O-N 2.84Å; A238-V240 PolarHBondContact O-N 2.74Å; A238-R241 PolarHBondContact O-N 2.83Å; A238-S242 WeakPolarHBondContact O-CB 3.26Å; A238-S242 PolarHBondContact O-N 2.96Å; A238-S242 PolarHBondContact O-OG 2.78Å
239	D	97.3	Very high	96.3	Very high	26 Å²	26	51.4 Å²	51.4	14%	0.139	22%	0.224	C	C	.	.	H	α-helix	trans	-60.4	-40.2	179.4	174.8	86.9	0	0	0	112.9	K154 I235 S242 R243	K154-D239 IonicContact NZ-OD1 3.5Å; I235-D239 WeakPolarHBondContact O-CB 3.39Å; I235-D239 PolarHBondContact O-N 3.22Å; D239-S242 WeakPolarHBondContact CA-OG 3.32Å; D239-S242 PolarHBondContact O-OG 3.04Å; D239-R243 VanDerWaalsContact CG-NE 3.26Å; D239-R243 WeakPolarHBondContact O-CB 3.46Å; D239-R243 WeakPolarHBondContact O-CD 3.17Å; D239-R243 WeakPolarHBondContact O-CG 3.5Å; D239-R243 PolarHBondContact O-N 2.74Å; D239-R243 IonicContact OD1-CZ 2.76Å; D239-R243 VanDerWaalsContact OD1-CZ 3.31Å; D239-R243 IonicContact OD1-NE 3.53Å; D239-R243 PolarHBondContact OD1-NE 2.93Å; D239-R243 IonicContact OD1-NH2 3.8Å; D239-R243 PolarHBondContact OD1-NH2 3.12Å; D239-R243 IonicContact OD2-NE 3.34Å; D239-R243 PolarHBondContact OD2-NE 3.02Å; D239-R243 VanDerWaalsContact OD2-NE 3.16Å
240	V	97.3	Very high	95.8	Very high	68 Å²	68	49.7 Å²	49.7	41%	0.412	22%	0.219	S	C	.	.	H	α-helix	trans	-65.9	-42.4	177.9	167.6	0	0	0	0	111.5	R236 A238 E244	R236-V240 WeakPolarHBondContact O-CB 3.34Å; R236-V240 VanDerWaalsContact O-CG2 3.27Å; R236-V240 WeakPolarHBondContact O-CG2 3.18Å; R236-V240 PolarHBondContact O-N 2.77Å; A238-V240 PolarHBondContact O-N 2.74Å; V240-E244 VanDerWaalsContact O-CB 3.28Å; V240-E244 WeakPolarHBondContact O-CB 3.32Å; V240-E244 PolarHBondContact O-N 2.75Å
241	R	97.8	Very high	94.9	Very high	49 Å²	49	51.6 Å²	51.6	19%	0.185	24%	0.237	C	C	.	.	H	α-helix	trans	-73.7	-40.8	-177.8	-76.9	167.4	171.7	61.3	12.7	113	Q65 V67 E79 Q237 A238 R243 E244 Y245	Q65-R241 HydrophobicContact CG-CB 4.17Å; V67-R241 VanDerWaalsContact CG1-CD 3.47Å; E79-R241 IonicContact OE2-CZ 3.51Å; E79-R241 IonicContact OE2-NE 2.77Å; E79-R241 PolarHBondContact OE2-NE 3.05Å; E79-R241 IonicContact OE2-NH2 2.8Å; E79-R241 PolarHBondContact OE2-NH2 3.38Å; Q237-R241 WeakPolarHBondContact O-CB 3.45Å; Q237-R241 WeakPolarHBondContact O-CD 3.38Å; Q237-R241 WeakPolarHBondContact O-CG 3.46Å; Q237-R241 PolarHBondContact O-N 3.35Å; Q237-R241 PolarHBondContact O-NH1 3.46Å; A238-R241 PolarHBondContact O-N 2.83Å; R241-R243 VanDerWaalsContact C-N 3.31Å; R241-R243 PolarHBondContact O-N 3.26Å; R241-E244 PolarHBondContact O-N 3.46Å; R241-Y245 WeakPolarHBondContact O-CB 3.32Å; R241-Y245 PolarHBondContact O-N 2.99Å
242	S	96.6	Very high	93.5	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-45.7	177.3	65.2	0	0	0	0	110	D51 S53 A238 D239 Y245 L246	D51-S242 WeakPolarHBondContact OD2-CB 3.33Å; D51-S242 PolarHBondContact OD2-OG 3.42Å; S53-S242 WeakPolarHBondContact CB-OG 3.45Å; S53-S242 PolarHBondContact OG-OG 2.92Å; A238-S242 WeakPolarHBondContact O-CB 3.26Å; A238-S242 PolarHBondContact O-N 2.96Å; A238-S242 PolarHBondContact O-OG 2.78Å; D239-S242 WeakPolarHBondContact CA-OG 3.32Å; D239-S242 PolarHBondContact O-OG 3.04Å; S242-Y245 PolarHBondContact O-N 3.14Å; S242-L246 WeakPolarHBondContact O-CG 3.28Å; S242-L246 PolarHBondContact O-N 3.21Å
243	R	94.6	Very high	91.5	Very high	142 Å²	142	59.1 Å²	59.1	54%	0.536	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-41.3	174.7	-69	173.3	-169.9	-78.3	-13.1	113.2	D239 R241 L246 R247	D239-R243 VanDerWaalsContact CG-NE 3.26Å; D239-R243 WeakPolarHBondContact O-CB 3.46Å; D239-R243 WeakPolarHBondContact O-CD 3.17Å; D239-R243 WeakPolarHBondContact O-CG 3.5Å; D239-R243 PolarHBondContact O-N 2.74Å; D239-R243 IonicContact OD1-CZ 2.76Å; D239-R243 VanDerWaalsContact OD1-CZ 3.31Å; D239-R243 IonicContact OD1-NE 3.53Å; D239-R243 PolarHBondContact OD1-NE 2.93Å; D239-R243 IonicContact OD1-NH2 3.8Å; D239-R243 PolarHBondContact OD1-NH2 3.12Å; D239-R243 IonicContact OD2-NE 3.34Å; D239-R243 PolarHBondContact OD2-NE 3.02Å; D239-R243 VanDerWaalsContact OD2-NE 3.16Å; R241-R243 VanDerWaalsContact C-N 3.31Å; R241-R243 PolarHBondContact O-N 3.26Å; R243-L246 PolarHBondContact O-N 2.76Å; R243-R247 WeakPolarHBondContact O-CB 3.43Å; R243-R247 PolarHBondContact O-N 2.75Å
244	E	95.1	Very high	88.8	Confident	77 Å²	77	67.4 Å²	67.4	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-64.8	-42.6	177.7	179.5	64	179.1	0	0	111.6	V240 R241 L246 R247 I248	V240-E244 VanDerWaalsContact O-CB 3.28Å; V240-E244 WeakPolarHBondContact O-CB 3.32Å; V240-E244 PolarHBondContact O-N 2.75Å; R241-E244 PolarHBondContact O-N 3.46Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 3.13Å; E244-R247 WeakPolarHBondContact O-CB 3.36Å; E244-R247 PolarHBondContact O-N 3.27Å; E244-R247 IonicContact OE1-CZ 3.6Å; E244-R247 IonicContact OE1-NE 3.02Å; E244-R247 IonicContact OE1-NH2 2.64Å; E244-R247 PolarHBondContact OE1-NH2 2.95Å; E244-R247 IonicContact OE2-CZ 3.35Å; E244-R247 IonicContact OE2-NE 2.83Å; E244-R247 PolarHBondContact OE2-NE 3.4Å; E244-R247 IonicContact OE2-NH2 3.13Å; E244-R247 PolarHBondContact OE2-NH2 3.09Å; E244-R247 VanDerWaalsContact OE2-NH2 3.13Å; E244-I248 HydrophobicContact CG-CD1 3.96Å; E244-I248 WeakPolarHBondContact O-CG1 3.45Å; E244-I248 PolarHBondContact O-N 3.35Å; E244-I248 WeakPolarHBondContact OE1-CD1 3.26Å
245	Y	95.1	Very high	86	Confident	56 Å²	56	76.8 Å²	76.8	22%	0.22	40%	0.398	C	S	.	.	H	α-helix	trans	-57.6	-47.6	173.7	-176.6	-87.7	0	0	0	111.2	C63 S81 M83 R241 S242 R247 I248 H249 F250	C63-Y245 HydrophobicContact CB-CD1 4.14Å; C63-Y245 VanDerWaalsContact SG-CD1 3.57Å; S81-Y245 VanDerWaalsContact CB-CD2 3.43Å; M83-Y245 HydrophobicContact CB-CE1 4.24Å; M83-Y245 HydrophobicContact CE-CD1 4.32Å; M83-Y245 HydrophobicContact CE-CE1 3.98Å; R241-Y245 WeakPolarHBondContact O-CB 3.32Å; R241-Y245 PolarHBondContact O-N 2.99Å; S242-Y245 PolarHBondContact O-N 3.14Å; Y245-R247 VanDerWaalsContact C-N 3.35Å; Y245-R247 PolarHBondContact O-N 2.96Å; Y245-I248 PolarHBondContact O-N 2.99Å; Y245-H249 AromaticContact CD2-CD2 3.51Å; Y245-H249 AromaticContact CD2-NE2 3.84Å; Y245-H249 HydrophobicContact CE1-CB 4.46Å; Y245-H249 AromaticContact CE2-CD2 3.45Å; Y245-H249 VanDerWaalsContact CE2-CD2 3.45Å; Y245-H249 WeakPolarHBondContact CE2-CD2 3.41Å; Y245-H249 AromaticContact CE2-NE2 3.63Å; Y245-H249 AromaticContact CG-CD2 3.84Å; Y245-H249 AromaticContact CZ-CD2 3.74Å; Y245-H249 WeakPolarHBondContact O-CB 3.49Å; Y245-H249 PolarHBondContact O-CD2 2.82Å; Y245-H249 VanDerWaalsContact O-CD2 3.27Å; Y245-H249 PolarHBondContact O-N 3.19Å; Y245-F250 HydrophobicContact CE1-CE2 4.31Å
246	L	93.4	Very high	85.3	Confident	17 Å²	17	80.6 Å²	80.6	9%	0.089	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-43.7	175.4	-67.3	-178	0	0	0	112.1	F54 I55 C63 M83 S242 R243 E244 I248 F250	F54-L246 VanDerWaalsContact O-CD1 3.32Å; F54-L246 WeakPolarHBondContact O-CD1 3.43Å; I55-L246 HydrophobicContact CG1-CD2 3.75Å; C63-L246 HydrophobicContact CB-CD2 3.78Å; C63-L246 HydrophobicContact CB-CG 3.94Å; M83-L246 HydrophobicContact CE-CD2 3.22Å; S242-L246 WeakPolarHBondContact O-CG 3.28Å; S242-L246 PolarHBondContact O-N 3.21Å; R243-L246 PolarHBondContact O-N 2.76Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 3.13Å; L246-I248 VanDerWaalsContact C-N 3.32Å; L246-I248 PolarHBondContact O-N 3.45Å; L246-F250 HydrophobicContact CD2-CD2 4.34Å; L246-F250 CarbonylContact O-C 3.58Å; L246-F250 VanDerWaalsContact O-CA 3.26Å; L246-F250 WeakPolarHBondContact O-CA 3.48Å; L246-F250 WeakPolarHBondContact O-CB 3.38Å; L246-F250 PolarHBondContact O-N 2.64Å
247	R	91.7	Very high	84.7	Confident	150 Å²	150	81.5 Å²	81.5	57%	0.566	43%	0.427	S	S	*	.	H	α-helix	trans	-61.8	-39.1	179.9	-171.1	-172.6	68.4	76	-1.6	112.5	R243 E244 Y245	R243-R247 WeakPolarHBondContact O-CB 3.43Å; R243-R247 PolarHBondContact O-N 2.75Å; E244-R247 WeakPolarHBondContact O-CB 3.36Å; E244-R247 PolarHBondContact O-N 3.27Å; E244-R247 IonicContact OE1-CZ 3.6Å; E244-R247 IonicContact OE1-NE 3.02Å; E244-R247 IonicContact OE1-NH2 2.64Å; E244-R247 PolarHBondContact OE1-NH2 2.95Å; E244-R247 IonicContact OE2-CZ 3.35Å; E244-R247 IonicContact OE2-NE 2.83Å; E244-R247 PolarHBondContact OE2-NE 3.4Å; E244-R247 IonicContact OE2-NH2 3.13Å; E244-R247 PolarHBondContact OE2-NH2 3.09Å; E244-R247 VanDerWaalsContact OE2-NH2 3.13Å; Y245-R247 VanDerWaalsContact C-N 3.35Å; Y245-R247 PolarHBondContact O-N 2.96Å
248	I	91.6	Very high	83.9	Confident	95 Å²	95	84.4 Å²	84.4	49%	0.487	44%	0.443	S	S	.	.	H	α-helix	trans	-76.8	-45.7	-178.6	-68.5	170.4	0	0	0	111.4	E244 Y245 L246	E244-I248 HydrophobicContact CG-CD1 3.96Å; E244-I248 WeakPolarHBondContact O-CG1 3.45Å; E244-I248 PolarHBondContact O-N 3.35Å; E244-I248 WeakPolarHBondContact OE1-CD1 3.26Å; Y245-I248 PolarHBondContact O-N 2.99Å; L246-I248 VanDerWaalsContact C-N 3.32Å; L246-I248 PolarHBondContact O-N 3.45Å
249	H	88.8	Confident	83	Confident	108 Å²	108	89.4 Å²	89.4	50%	0.5	47%	0.469	S	S	.	.	H	α-helix	trans	-94.1	-20.6	-170.2	-67	-74.1	0	0	0	114	Y245	Y245-H249 AromaticContact CD2-CD2 3.51Å; Y245-H249 AromaticContact CD2-NE2 3.84Å; Y245-H249 HydrophobicContact CE1-CB 4.46Å; Y245-H249 AromaticContact CE2-CD2 3.45Å; Y245-H249 VanDerWaalsContact CE2-CD2 3.45Å; Y245-H249 WeakPolarHBondContact CE2-CD2 3.41Å; Y245-H249 AromaticContact CE2-NE2 3.63Å; Y245-H249 AromaticContact CG-CD2 3.84Å; Y245-H249 AromaticContact CZ-CD2 3.74Å; Y245-H249 WeakPolarHBondContact O-CB 3.49Å; Y245-H249 PolarHBondContact O-CD2 2.82Å; Y245-H249 VanDerWaalsContact O-CD2 3.27Å; Y245-H249 PolarHBondContact O-N 3.19Å
250	F	86.3	Confident	82.1	Confident	88 Å²	88	93.3 Å²	93.3	39%	0.386	49%	0.49	S	S	.	.	S	Bend	trans	-138	58.5	-177.8	-57.1	-90.3	0	0	0	109.9	I55 M83 Y245 L246 A252	I55-F250 HydrophobicContact CD1-CB 4.1Å; I55-F250 HydrophobicContact CD1-CD1 3.83Å; I55-F250 HydrophobicContact CD1-CD2 4.49Å; I55-F250 HydrophobicContact CD1-CE1 4.43Å; I55-F250 HydrophobicContact CD1-CG 3.86Å; I55-F250 HydrophobicContact CG1-CB 4.47Å; M83-F250 HydrophobicContact CB-CE2 4.4Å; M83-F250 HydrophobicContact CB-CZ 4.37Å; M83-F250 HydrophobicContact CE-CD2 3.42Å; M83-F250 VanDerWaalsContact CE-CD2 3.42Å; M83-F250 HydrophobicContact CE-CE1 4.49Å; M83-F250 HydrophobicContact CE-CE2 3.11Å; M83-F250 HydrophobicContact CE-CG 4.28Å; M83-F250 HydrophobicContact CE-CZ 3.71Å; M83-F250 HydrophobicContact CG-CE2 4.1Å; M83-F250 HydrophobicContact CG-CZ 3.79Å; M83-F250 HydrophobicContact SD-CE2 4.17Å; M83-F250 HydrophobicContact SD-CZ 4.19Å; Y245-F250 HydrophobicContact CE1-CE2 4.31Å; L246-F250 HydrophobicContact CD2-CD2 4.34Å; L246-F250 CarbonylContact O-C 3.58Å; L246-F250 VanDerWaalsContact O-CA 3.26Å; L246-F250 WeakPolarHBondContact O-CA 3.48Å; L246-F250 WeakPolarHBondContact O-CB 3.38Å; L246-F250 PolarHBondContact O-N 2.64Å; F250-A252 PolarHBondContact O-N 3.36Å
251	P	78.4	Confident	81.1	Confident	88 Å²	88	95 Å²	95	57%	0.571	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-56.8	137.3	177.1	26.5	-33.9	0	0	0	108.9	S253	P251-S253 PolarHBondContact O-N 3.16Å; P251-S253 VanDerWaalsContact O-N 3.16Å
252	A	68.9	Low	79.9	Confident	83 Å²	83	98.3 Å²	98.3	69%	0.686	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-55.7	126.4	170.8	0	0	0	0	0	107.7	F250 D254	F250-A252 PolarHBondContact O-N 3.36Å; A252-D254 PolarHBondContact O-N 3.14Å; A252-D254 VanDerWaalsContact O-N 3.14Å
253	S	57.5	Low	78.7	Confident	99 Å²	99	105.8 Å²	105.8	69%	0.692	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-53.8	121.7	165.6	-41.4	0	0	0	0	106.8	P251 T255	P251-S253 PolarHBondContact O-N 3.16Å; P251-S253 VanDerWaalsContact O-N 3.16Å; S253-T255 VanDerWaalsContact C-N 3.28Å; S253-T255 PolarHBondContact O-N 2.83Å
254	D	42.4	Very low	77.3	Confident	175 Å²	175	102.8 Å²	102.8	94%	0.936	56%	0.559	S	S	*	*			trans	-60.4	97.2	167.4	-75.8	-36	0	0	0	107.2	A252	A252-D254 PolarHBondContact O-N 3.14Å; A252-D254 VanDerWaalsContact O-N 3.14Å
255	T	38.6	Very low	75.7	Confident	198 Å²	198	105.2 Å²	105.2	100%	1.215	58%	0.577	S	S	*	*			trans	-132.2	0	171.6	52.9	0	0	0	0	109.2	S253	S253-T255 VanDerWaalsContact C-N 3.28Å; S253-T255 PolarHBondContact O-N 2.83Å

Retrieved 255 of 255 residues in 64.7 ms (Link to these results)

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