A0A087X3T2_POEFO Loading...

Ubiquitin-conjugating enzyme E2 J2

Catalyzes the covalent attachment of ubiquitin to other proteins. Seems to function in the selective degradation of misfolded membrane proteins from the endoplasmic reticulum (ERAD). In cooperation with the GATOR2 complex, catalyzes 'Lys-6'-linked ubiquitination of NPRL2.

AlphaFold DB (A0A3B3TNT9), UniProt , Accession A0A087X3T2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 261 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.6	Very low	58.8	Low	238 Å²	238	143.6 Å²	143.6	100%	1.172	78%	0.778	S	S	*	*				0	90.9	0	-73.1	157.8	154.9	0	0	107.9	N3	M1-N3 PolarHBondContact O-N 3.17Å
2	N	40.1	Very low	61.8	Low	159 Å²	159	137.6 Å²	137.6	85%	0.85	75%	0.749	S	S	*	*			trans	-86.5	102.2	178.4	-75.9	-1.1	0	0	0	108.3	T4	N2-T4 VanDerWaalsContact C-N 3.32Å; N2-T4 PolarHBondContact O-N 2.91Å
3	N	49.8	Very low	64.5	Low	157 Å²	157	127.5 Å²	127.5	84%	0.84	70%	0.695	S	S	*	*			trans	-73.4	87.4	175.2	-166.7	7.2	0	0	0	108.7	M1 G5	M1-N3 PolarHBondContact O-N 3.17Å; N3-G5 PolarHBondContact O-N 2.9Å
4	T	50.6	Low	66.8	Low	131 Å²	131	122.4 Å²	122.4	80%	0.804	67%	0.671	S	S	*	*			trans	-72.5	76.3	167.3	50.9	0	0	0	0	108.2	N2 N6	N2-T4 VanDerWaalsContact C-N 3.32Å; N2-T4 PolarHBondContact O-N 2.91Å; T4-N6 PolarHBondContact O-N 3.12Å; T4-N6 VanDerWaalsContact O-N 3.17Å
5	G	52.9	Low	68.8	Low	48 Å²	48	121.2 Å²	121.2	50%	0.495	66%	0.658	S	S	.	*			trans	-54.1	120.7	169.6	0	0	0	0	0	108.7	N3 K7	N3-G5 PolarHBondContact O-N 2.9Å; G5-K7 VanDerWaalsContact C-N 3.29Å; G5-K7 PolarHBondContact O-N 3.03Å
6	N	54.5	Low	70.6	Confident	154 Å²	154	115.1 Å²	115.1	82%	0.824	62%	0.623	S	S	*	*			trans	-62.3	85.1	-177.8	-163.4	19.1	0	0	0	109.9	T4 R8	T4-N6 PolarHBondContact O-N 3.12Å; T4-N6 VanDerWaalsContact O-N 3.17Å; N6-R8 PolarHBondContact O-N 3.34Å
7	K	60.8	Low	72.3	Confident	201 Å²	201	108.3 Å²	108.3	87%	0.874	59%	0.586	S	S	*	*			trans	-68.6	100.1	175.3	-71.8	-174.4	-178.1	-179.3	0	107.5	G5 A9	G5-K7 VanDerWaalsContact C-N 3.29Å; G5-K7 PolarHBondContact O-N 3.03Å; K7-A9 PolarHBondContact O-N 2.88Å
8	R	67.3	Low	73.7	Confident	231 Å²	231	109.1 Å²	109.1	87%	0.872	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-54.1	130	170.9	-77.1	-177.3	175.7	174.8	-0.7	108.6	N6	N6-R8 PolarHBondContact O-N 3.34Å
9	A	69.6	Low	75	Confident	86 Å²	86	108.8 Å²	108.8	71%	0.711	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-55.9	145.1	174.1	0	0	0	0	0	110.3	K7 T11	K7-A9 PolarHBondContact O-N 2.88Å; A9-T11 PolarHBondContact O-N 3.4Å
10	P	76.4	Confident	76.1	Confident	108 Å²	108	103.4 Å²	103.4	70%	0.701	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-59.9	136.2	177.4	24.7	-32.7	0	0	0	110.3	T12	P10-T12 PolarHBondContact O-N 2.72Å
11	T	84.6	Confident	77.2	Confident	67 Å²	67	102 Å²	102	41%	0.411	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-60.3	124	179.7	-52.8	0	0	0	0	110.3	A9 Q15 R16	A9-T11 PolarHBondContact O-N 3.4Å; T11-Q15 HydrophobicContact CG2-CB 3.81Å; T11-R16 HydrophobicContact CG2-CB 3.99Å
12	T	94.9	Very high	80	Confident	71 Å²	71	96.4 Å²	96.4	44%	0.436	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-72.9	157.1	175.7	61.1	0	0	0	0	111.6	P10 T14 Q15 R16	P10-T12 PolarHBondContact O-N 2.72Å; T12-T14 VanDerWaalsContact C-N 3.27Å; T12-T14 PolarHBondContact O-N 3.06Å; T12-Q15 PolarHBondContact O-N 3.37Å; T12-Q15 VanDerWaalsContact O-N 3.11Å; T12-Q15 WeakPolarHBondContact OG1-CB 3.33Å; T12-Q15 VanDerWaalsContact OG1-CD 3.27Å; T12-Q15 VanDerWaalsContact OG1-CG 3.24Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.3Å; T12-Q15 PolarHBondContact OG1-N 3.31Å; T12-Q15 PolarHBondContact OG1-OE1 3.45Å; T12-R16 PolarHBondContact O-N 3.41Å
13	A	96	Very high	82.7	Confident	6 Å²	6	94.2 Å²	94.2	5%	0.05	49%	0.491	C	S	.	.	H	α-helix	trans	-51.3	-46.1	174.5	0	0	0	0	0	112.4	Q15 R16 L17 L42 R69 F71	A13-Q15 PolarHBondContact O-N 2.81Å; A13-R16 PolarHBondContact O-N 3.41Å; A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 VanDerWaalsContact O-CG 3.27Å; A13-L17 WeakPolarHBondContact O-CG 3.33Å; A13-L17 PolarHBondContact O-N 3.21Å; A13-L42 HydrophobicContact CB-CD2 3.99Å; A13-R69 WeakPolarHBondContact CB-O 3.49Å; A13-F71 WeakPolarHBondContact CA-O 3.43Å; A13-F71 HydrophobicContact CB-CB 4.04Å; A13-F71 VanDerWaalsContact CB-O 3.24Å; A13-F71 WeakPolarHBondContact CB-O 3.49Å; A13-F71 PolarHBondContact N-O 3.19Å
14	T	97.1	Very high	85	Confident	57 Å²	57	87.1 Å²	87.1	35%	0.35	45%	0.453	S	S	.	.	H	α-helix	trans	-61.2	-44.9	177.9	-58	0	0	0	0	112.6	T12 R16 L17 K18 I41	T12-T14 VanDerWaalsContact C-N 3.27Å; T12-T14 PolarHBondContact O-N 3.06Å; T14-R16 VanDerWaalsContact C-N 3.35Å; T14-L17 PolarHBondContact O-N 3.48Å; T14-K18 HydrophobicContact CG2-CD 4.47Å; T14-K18 VanDerWaalsContact O-CG 3.32Å; T14-K18 WeakPolarHBondContact O-CG 3.37Å; T14-K18 PolarHBondContact O-N 2.96Å; T14-I41 HydrophobicContact CG2-CD1 4.36Å; T14-I41 HydrophobicContact CG2-CG2 3.97Å
15	Q	96.9	Very high	87.2	Confident	104 Å²	104	85.5 Å²	85.5	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-63.8	-42.9	177.1	-75.6	165.3	-28.8	0	0	111.2	T11 T12 A13 K18 Q19	T11-Q15 HydrophobicContact CG2-CB 3.81Å; T12-Q15 PolarHBondContact O-N 3.37Å; T12-Q15 VanDerWaalsContact O-N 3.11Å; T12-Q15 WeakPolarHBondContact OG1-CB 3.33Å; T12-Q15 VanDerWaalsContact OG1-CD 3.27Å; T12-Q15 VanDerWaalsContact OG1-CG 3.24Å; T12-Q15 WeakPolarHBondContact OG1-CG 3.3Å; T12-Q15 PolarHBondContact OG1-N 3.31Å; T12-Q15 PolarHBondContact OG1-OE1 3.45Å; A13-Q15 PolarHBondContact O-N 2.81Å; Q15-K18 PolarHBondContact O-N 3.5Å; Q15-Q19 WeakPolarHBondContact O-CG 3.4Å; Q15-Q19 PolarHBondContact O-N 3.38Å; Q15-Q19 VanDerWaalsContact O-N 3.16Å
16	R	97.7	Very high	89.4	Confident	23 Å²	23	92.2 Å²	92.2	9%	0.087	45%	0.45	C	S	.	.	H	α-helix	trans	-63.2	-44.3	177.6	173.9	57.9	-166.4	-72.9	-19.2	112	T11 T12 A13 T14 Q19 D20 F71 P72 P107 W109	T11-R16 HydrophobicContact CG2-CB 3.99Å; T12-R16 PolarHBondContact O-N 3.41Å; A13-R16 PolarHBondContact O-N 3.41Å; T14-R16 VanDerWaalsContact C-N 3.35Å; R16-Q19 WeakPolarHBondContact O-CB 3.46Å; R16-Q19 PolarHBondContact O-N 2.84Å; R16-Q19 VanDerWaalsContact O-N 3.16Å; R16-D20 IonicContact CZ-OD1 3.68Å; R16-D20 IonicContact CZ-OD2 3.56Å; R16-D20 IonicContact NE-OD1 3.71Å; R16-D20 PolarHBondContact NE-OD1 3.46Å; R16-D20 IonicContact NE-OD2 3.98Å; R16-D20 PolarHBondContact NE-OD2 2.81Å; R16-D20 IonicContact NH2-OD1 3.52Å; R16-D20 IonicContact NH2-OD2 2.92Å; R16-D20 PolarHBondContact NH2-OD2 3.05Å; R16-D20 PolarHBondContact O-N 3.35Å; R16-F71 HydrophobicContact CB-CE1 4.49Å; R16-F71 HydrophobicContact CG-CD1 4.06Å; R16-F71 HydrophobicContact CG-CE1 3.63Å; R16-P72 HydrophobicContact CG-CB 4.18Å; R16-P72 HydrophobicContact CG-CG 4.09Å; R16-P72 VanDerWaalsContact NH1-CG 3.35Å; R16-P107 PolarHBondContact NH1-O 3.5Å; R16-W109 PolarHBondContact NH2-O 3.49Å
17	L	98.5	Very high	91.4	Very high	0 Å²	0	90.4 Å²	90.4	0%	0	44%	0.44	C	S	.	.	H	α-helix	trans	-67.8	-35.4	179.7	-72.1	165	0	0	0	112.2	A13 T14 Q19 D20 Y21 I41 L42 W44 F67 F71 V111	A13-L17 WeakPolarHBondContact O-CB 3.41Å; A13-L17 VanDerWaalsContact O-CG 3.27Å; A13-L17 WeakPolarHBondContact O-CG 3.33Å; A13-L17 PolarHBondContact O-N 3.21Å; T14-L17 PolarHBondContact O-N 3.48Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.02Å; L17-D20 PolarHBondContact O-N 3.17Å; L17-Y21 WeakPolarHBondContact O-CB 3.33Å; L17-Y21 PolarHBondContact O-N 3.19Å; L17-I41 HydrophobicContact CB-CD1 4.27Å; L17-I41 HydrophobicContact CB-CG1 4.19Å; L17-I41 WeakPolarHBondContact CD1-O 3.37Å; L17-L42 HydrophobicContact CD1-CD2 3.63Å; L17-W44 HydrophobicContact CB-CZ2 4.14Å; L17-W44 HydrophobicContact CD2-CZ2 4.17Å; L17-W44 WeakPolarHBondContact O-CZ2 3.33Å; L17-F67 HydrophobicContact CD1-CB 4.04Å; L17-F67 HydrophobicContact CD1-CD1 4.48Å; L17-F67 HydrophobicContact CD1-CD2 4.03Å; L17-F67 HydrophobicContact CD1-CG 3.93Å; L17-F67 HydrophobicContact CD2-CD1 3.81Å; L17-F67 HydrophobicContact CD2-CD2 3.87Å; L17-F67 HydrophobicContact CD2-CE1 3.7Å; L17-F67 HydrophobicContact CD2-CE2 3.77Å; L17-F67 HydrophobicContact CD2-CG 3.9Å; L17-F67 HydrophobicContact CD2-CZ 3.69Å; L17-F71 HydrophobicContact CD1-CD1 4.29Å; L17-F71 HydrophobicContact CD2-CD1 3.92Å; L17-F71 HydrophobicContact CD2-CE1 3.55Å; L17-F71 HydrophobicContact CD2-CZ 4.26Å; L17-F71 HydrophobicContact CG-CD1 3.86Å; L17-F71 HydrophobicContact CG-CE1 3.88Å; L17-V111 HydrophobicContact CD2-CG2 4.06Å
18	K	98.1	Very high	93.1	Very high	123 Å²	123	85.1 Å²	85.1	54%	0.535	43%	0.427	S	S	.	.	H	α-helix	trans	-59.5	-41.8	170.1	-73.6	177.8	179.9	-174.7	0	111.8	T14 Q15 Y21 L22 I41	T14-K18 HydrophobicContact CG2-CD 4.47Å; T14-K18 VanDerWaalsContact O-CG 3.32Å; T14-K18 WeakPolarHBondContact O-CG 3.37Å; T14-K18 PolarHBondContact O-N 2.96Å; Q15-K18 PolarHBondContact O-N 3.5Å; K18-Y21 PolarHBondContact O-N 3.48Å; K18-L22 WeakPolarHBondContact O-CG 3.29Å; K18-L22 PolarHBondContact O-N 3.29Å; K18-L22 VanDerWaalsContact O-N 3.07Å; K18-I41 HydrophobicContact CD-CD1 4.5Å; K18-I41 HydrophobicContact CG-CD1 3.53Å
19	Q	98.1	Very high	94.5	Very high	104 Å²	104	75.3 Å²	75.3	49%	0.486	39%	0.393	S	S	.	.	H	α-helix	trans	-65.3	-44.5	176.2	-68.7	173	-21	0	0	111.9	Q15 R16 L17 Y21 L22 R23	Q15-Q19 WeakPolarHBondContact O-CG 3.4Å; Q15-Q19 PolarHBondContact O-N 3.38Å; Q15-Q19 VanDerWaalsContact O-N 3.16Å; R16-Q19 WeakPolarHBondContact O-CB 3.46Å; R16-Q19 PolarHBondContact O-N 2.84Å; R16-Q19 VanDerWaalsContact O-N 3.16Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.02Å; Q19-Y21 VanDerWaalsContact C-N 3.28Å; Q19-Y21 PolarHBondContact O-N 3.46Å; Q19-L22 PolarHBondContact O-N 3.38Å; Q19-R23 WeakPolarHBondContact O-CB 3.4Å; Q19-R23 PolarHBondContact O-N 3.49Å
20	D	98.4	Very high	95.8	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-65.5	-32.5	177.6	-76.8	9.5	0	0	0	111.6	R16 L17 R23 I24 S110 V111	R16-D20 IonicContact CZ-OD1 3.68Å; R16-D20 IonicContact CZ-OD2 3.56Å; R16-D20 IonicContact NE-OD1 3.71Å; R16-D20 PolarHBondContact NE-OD1 3.46Å; R16-D20 IonicContact NE-OD2 3.98Å; R16-D20 PolarHBondContact NE-OD2 2.81Å; R16-D20 IonicContact NH2-OD1 3.52Å; R16-D20 IonicContact NH2-OD2 2.92Å; R16-D20 PolarHBondContact NH2-OD2 3.05Å; R16-D20 PolarHBondContact O-N 3.35Å; L17-D20 PolarHBondContact O-N 3.17Å; D20-R23 WeakPolarHBondContact O-CB 3.47Å; D20-R23 PolarHBondContact O-N 2.92Å; D20-R23 IonicContact OD1-CZ 3.8Å; D20-R23 IonicContact OD1-NH1 2.81Å; D20-R23 PolarHBondContact OD1-NH1 3.18Å; D20-I24 PolarHBondContact O-N 3.02Å; D20-S110 VanDerWaalsContact OD2-CA 3.29Å; D20-S110 WeakPolarHBondContact OD2-CA 3.29Å; D20-V111 HydrophobicContact CB-CB 4.25Å; D20-V111 HydrophobicContact CB-CG2 3.81Å; D20-V111 PolarHBondContact OD2-N 3.19Å; D20-V111 VanDerWaalsContact OD2-N 3.08Å
21	Y	98.5	Very high	96.9	Very high	74 Å²	74	75 Å²	75	29%	0.29	37%	0.372	S	S	.	.	H	α-helix	trans	-64.8	-50.4	174.1	-178.1	-110.7	0	0	0	111.5	L17 K18 Q19 R23 I24 K25 E35 P36 W44	L17-Y21 WeakPolarHBondContact O-CB 3.33Å; L17-Y21 PolarHBondContact O-N 3.19Å; K18-Y21 PolarHBondContact O-N 3.48Å; Q19-Y21 VanDerWaalsContact C-N 3.28Å; Q19-Y21 PolarHBondContact O-N 3.46Å; Y21-R23 PolarHBondContact O-N 3.42Å; Y21-I24 WeakPolarHBondContact O-CG2 3.38Å; Y21-I24 PolarHBondContact O-N 3.16Å; Y21-K25 HydrophobicContact CD2-CG 4.37Å; Y21-K25 HydrophobicContact CE1-CG 4.22Å; Y21-K25 HydrophobicContact CE2-CD 4.3Å; Y21-K25 HydrophobicContact CE2-CG 4.04Å; Y21-K25 VanDerWaalsContact CZ-CE 3.43Å; Y21-K25 WeakPolarHBondContact O-CB 3.4Å; Y21-K25 VanDerWaalsContact O-CG 3.29Å; Y21-K25 WeakPolarHBondContact O-CG 3.44Å; Y21-K25 PolarHBondContact O-N 3.43Å; Y21-K25 WeakPolarHBondContact OH-CE 3.44Å; Y21-E35 WeakPolarHBondContact CE2-OE2 3.43Å; Y21-E35 PolarHBondContact OH-OE2 3.29Å; Y21-P36 HydrophobicContact CD2-CG 4.05Å; Y21-P36 VanDerWaalsContact CE2-CD 3.44Å; Y21-P36 HydrophobicContact CE2-CG 4.08Å; Y21-W44 VanDerWaalsContact CA-CH2 3.47Å; Y21-W44 VanDerWaalsContact CB-CH2 3.5Å; Y21-W44 AromaticContact CD2-CH2 3.9Å; Y21-W44 HydrophobicContact CD2-CH2 3.9Å; Y21-W44 HydrophobicContact CD2-CZ2 4.48Å; Y21-W44 HydrophobicContact CD2-CZ3 4.13Å; Y21-W44 HydrophobicContact CG-CH2 4.2Å
22	L	98.2	Very high	97.5	Very high	121 Å²	121	72.3 Å²	72.3	63%	0.634	36%	0.355	S	S	*	.	H	α-helix	trans	-59.9	-36.5	175.1	-65.9	175.1	0	0	0	111.5	K18 Q19 K26	K18-L22 WeakPolarHBondContact O-CG 3.29Å; K18-L22 PolarHBondContact O-N 3.29Å; K18-L22 VanDerWaalsContact O-N 3.07Å; Q19-L22 PolarHBondContact O-N 3.38Å; L22-K26 VanDerWaalsContact O-CB 3.26Å; L22-K26 WeakPolarHBondContact O-CB 3.39Å; L22-K26 PolarHBondContact O-N 3.12Å
23	R	98.1	Very high	97.7	Very high	112 Å²	112	70.7 Å²	70.7	42%	0.423	35%	0.346	S	S	.	.	H	α-helix	trans	-64	-53.3	177.1	-174.2	-177.1	-66.3	129.2	1.7	111.6	Q19 D20 Y21 K25 K26 D27 S110	Q19-R23 WeakPolarHBondContact O-CB 3.4Å; Q19-R23 PolarHBondContact O-N 3.49Å; D20-R23 WeakPolarHBondContact O-CB 3.47Å; D20-R23 PolarHBondContact O-N 2.92Å; D20-R23 IonicContact OD1-CZ 3.8Å; D20-R23 IonicContact OD1-NH1 2.81Å; D20-R23 PolarHBondContact OD1-NH1 3.18Å; Y21-R23 PolarHBondContact O-N 3.42Å; R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 3.2Å; R23-K26 PolarHBondContact O-N 3.34Å; R23-K26 VanDerWaalsContact O-N 3.17Å; R23-D27 PolarHBondContact O-N 3.38Å; R23-S110 VanDerWaalsContact NH1-CB 3.26Å
24	I	97.8	Very high	97.8	Very high	9 Å²	9	70.7 Å²	70.7	5%	0.046	35%	0.346	C	S	.	.	H	α-helix	trans	-67.9	-27.3	-177.2	-161.9	167.5	0	0	0	112.5	D20 Y21 D27 P28 V29 A34 W44 S112 L115	D20-I24 PolarHBondContact O-N 3.02Å; Y21-I24 WeakPolarHBondContact O-CG2 3.38Å; Y21-I24 PolarHBondContact O-N 3.16Å; I24-D27 CarbonylContact O-C 3.48Å; I24-P28 VanDerWaalsContact O-CA 3.31Å; I24-P28 WeakPolarHBondContact O-CA 3.24Å; I24-V29 HydrophobicContact CD1-CG2 4.05Å; I24-V29 HydrophobicContact CG1-CG2 4.36Å; I24-A34 HydrophobicContact CD1-CB 4.11Å; I24-W44 HydrophobicContact CG2-CZ3 4.34Å; I24-S112 WeakPolarHBondContact CB-OG 3.42Å; I24-S112 WeakPolarHBondContact CG1-OG 3.37Å; I24-L115 HydrophobicContact CD1-CD1 4.37Å
25	K	97.3	Very high	97.9	Very high	96 Å²	96	69.8 Å²	69.8	42%	0.417	34%	0.338	S	S	.	.	H	α-helix	trans	-72.2	-37.8	171.9	-67.9	-58	-173.5	178	0	112.9	Y21 R23 E35	Y21-K25 HydrophobicContact CD2-CG 4.37Å; Y21-K25 HydrophobicContact CE1-CG 4.22Å; Y21-K25 HydrophobicContact CE2-CD 4.3Å; Y21-K25 HydrophobicContact CE2-CG 4.04Å; Y21-K25 VanDerWaalsContact CZ-CE 3.43Å; Y21-K25 WeakPolarHBondContact O-CB 3.4Å; Y21-K25 VanDerWaalsContact O-CG 3.29Å; Y21-K25 WeakPolarHBondContact O-CG 3.44Å; Y21-K25 PolarHBondContact O-N 3.43Å; Y21-K25 WeakPolarHBondContact OH-CE 3.44Å; R23-K25 VanDerWaalsContact C-N 3.26Å; R23-K25 PolarHBondContact O-N 3.2Å; K25-E35 VanDerWaalsContact NZ-CD 3.3Å; K25-E35 IonicContact NZ-OE1 2.93Å; K25-E35 PolarHBondContact NZ-OE1 3.23Å; K25-E35 IonicContact NZ-OE2 3.31Å; K25-E35 PolarHBondContact NZ-OE2 3.04Å
26	K	97.8	Very high	97.9	Very high	190 Å²	190	66 Å²	66	83%	0.826	32%	0.322	S	S	*	.	H	α-helix	trans	-74.9	-38.2	177.7	-180	176.8	177	-179.2	0	112.4	L22 R23	L22-K26 VanDerWaalsContact O-CB 3.26Å; L22-K26 WeakPolarHBondContact O-CB 3.39Å; L22-K26 PolarHBondContact O-N 3.12Å; R23-K26 PolarHBondContact O-N 3.34Å; R23-K26 VanDerWaalsContact O-N 3.17Å
27	D	96.9	Very high	97.9	Very high	115 Å²	115	66.4 Å²	66.4	62%	0.615	33%	0.326	S	S	*	.	S	Bend	trans	-132	81.3	-176.8	-171.7	29.4	0	0	0	109.4	R23 I24	R23-D27 PolarHBondContact O-N 3.38Å; I24-D27 CarbonylContact O-C 3.48Å
28	P	97.2	Very high	97.8	Very high	90 Å²	90	72.3 Å²	72.3	58%	0.584	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-65.1	141.8	-179	-21.3	34	0	0	0	112.1	I24	I24-P28 VanDerWaalsContact O-CA 3.31Å; I24-P28 WeakPolarHBondContact O-CA 3.24Å
29	V	96.6	Very high	97.7	Very high	26 Å²	26	72 Å²	72	16%	0.158	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-87.4	140.7	174.1	-80	0	0	0	0	111.2	I24 I32	I24-V29 HydrophobicContact CD1-CG2 4.05Å; I24-V29 HydrophobicContact CG1-CG2 4.36Å; V29-I32 HydrophobicContact CG2-CB 3.71Å; V29-I32 HydrophobicContact CG2-CD1 4.17Å; V29-I32 HydrophobicContact CG2-CG2 3.79Å; V29-I32 PolarHBondContact O-N 3.41Å
30	P	97.6	Very high	97.7	Very high	94 Å²	94	69.9 Å²	69.9	61%	0.61	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	144.6	178.3	-26.6	34.8	0	0	0	112.6	I32	P30-I32 PolarHBondContact O-N 3.26Å
31	Y	98.3	Very high	97.6	Very high	92 Å²	92	71.9 Å²	71.9	36%	0.361	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	-1.1	178.7	-49.2	-78.9	0	0	0	116.3	V48 R49 P51 E52 L119	Y31-V48 CarbonylContact O-C 3.6Å; Y31-V48 WeakPolarHBondContact O-CA 3.49Å; Y31-R49 WeakPolarHBondContact CB-O 3.42Å; Y31-R49 HydrophobicContact CD1-CB 4.43Å; Y31-R49 PolarHBondContact O-N 3.47Å; Y31-P51 HydrophobicContact CD1-CB 4.34Å; Y31-P51 HydrophobicContact CD1-CG 4.26Å; Y31-P51 HydrophobicContact CD2-CG 4.37Å; Y31-P51 HydrophobicContact CE1-CB 4.01Å; Y31-P51 HydrophobicContact CE1-CG 4.41Å; Y31-P51 HydrophobicContact CE2-CB 4.45Å; Y31-P51 HydrophobicContact CG-CG 4.25Å; Y31-E52 PolarHBondContact OH-OE2 3.01Å; Y31-L119 HydrophobicContact CD2-CD2 4.02Å; Y31-L119 HydrophobicContact CG-CD2 4.33Å
32	I	98.4	Very high	97.6	Very high	11 Å²	11	69.9 Å²	69.9	6%	0.056	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133.5	-168.9	-69.3	156.5	0	0	0	110.9	V29 P30 V47 V48 L115 L119	V29-I32 HydrophobicContact CG2-CB 3.71Å; V29-I32 HydrophobicContact CG2-CD1 4.17Å; V29-I32 HydrophobicContact CG2-CG2 3.79Å; V29-I32 PolarHBondContact O-N 3.41Å; P30-I32 PolarHBondContact O-N 3.26Å; I32-V47 WeakPolarHBondContact CA-O 3.38Å; I32-V48 HydrophobicContact CG1-CG2 4.27Å; I32-L115 HydrophobicContact CD1-CB 3.96Å; I32-L115 WeakPolarHBondContact CD1-O 3.32Å; I32-L115 HydrophobicContact CG2-CB 3.9Å; I32-L115 HydrophobicContact CG2-CD1 3.65Å; I32-L115 HydrophobicContact CG2-CG 4.36Å; I32-L119 HydrophobicContact CD1-CB 4.29Å; I32-L119 HydrophobicContact CD1-CD2 4.25Å
33	C	97.6	Very high	97.7	Very high	38 Å²	38	65.8 Å²	65.8	26%	0.257	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.7	164.2	-56.7	0	0	0	0	108.8	Y46 V47 F160	C33-Y46 CarbonylContact O-C 3.49Å; C33-Y46 WeakPolarHBondContact O-CA 3.5Å; C33-Y46 WeakPolarHBondContact O-CB 3.31Å; C33-V47 PolarHBondContact N-O 2.92Å; C33-V47 PolarHBondContact O-N 3.29Å; C33-F160 HydrophobicContact CB-CD1 4.21Å; C33-F160 HydrophobicContact CB-CE1 4.28Å
34	A	98.5	Very high	97.7	Very high	6 Å²	6	60.5 Å²	60.5	5%	0.05	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.4	176.6	0	0	0	0	0	112	I24 W44 H45 L115	I24-A34 HydrophobicContact CD1-CB 4.11Å; A34-W44 HydrophobicContact CB-CE3 4.18Å; A34-H45 CarbonylContact C-O 3.47Å; A34-H45 VanDerWaalsContact CA-O 3.27Å; A34-H45 WeakPolarHBondContact CA-O 3.47Å; A34-L115 HydrophobicContact CB-CD1 3.62Å
35	E	98.6	Very high	97.7	Very high	37 Å²	37	60.6 Å²	60.6	17%	0.173	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	134.2	-179.1	-63.2	-63.9	171	0	0	111	Y21 K25 W44 H45 L159 F160	Y21-E35 WeakPolarHBondContact CE2-OE2 3.43Å; Y21-E35 PolarHBondContact OH-OE2 3.29Å; K25-E35 VanDerWaalsContact NZ-CD 3.3Å; K25-E35 IonicContact NZ-OE1 2.93Å; K25-E35 PolarHBondContact NZ-OE1 3.23Å; K25-E35 IonicContact NZ-OE2 3.31Å; K25-E35 PolarHBondContact NZ-OE2 3.04Å; E35-W44 CarbonylContact O-C 3.56Å; E35-W44 VanDerWaalsContact O-CA 3.28Å; E35-W44 WeakPolarHBondContact O-CA 3.39Å; E35-H45 PolarHBondContact N-O 2.97Å; E35-H45 PolarHBondContact O-N 3.39Å; E35-L159 HydrophobicContact CB-CB 4.37Å; E35-L159 HydrophobicContact CB-CD2 4.44Å; E35-L159 WeakPolarHBondContact CG-O 3.4Å; E35-F160 HydrophobicContact CB-CE1 4.08Å; E35-F160 HydrophobicContact CB-CZ 4.25Å; E35-F160 HydrophobicContact CG-CD1 4.02Å; E35-F160 HydrophobicContact CG-CE1 3.58Å; E35-F160 HydrophobicContact CG-CZ 4.22Å
36	P	98.5	Very high	97.8	Very high	24 Å²	24	56 Å²	56	16%	0.156	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	149.3	165	29	-32.4	0	0	0	110.8	Y21 I41 W44	Y21-P36 HydrophobicContact CD2-CG 4.05Å; Y21-P36 VanDerWaalsContact CE2-CD 3.44Å; Y21-P36 HydrophobicContact CE2-CG 4.08Å; P36-I41 HydrophobicContact CB-CG1 4.24Å; P36-W44 HydrophobicContact CB-CD2 4.14Å; P36-W44 HydrophobicContact CB-CG 4.17Å; P36-W44 HydrophobicContact CB-CZ2 4.47Å
37	L	97.8	Very high	97.9	Very high	33 Å²	33	47 Å²	47	17%	0.173	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134.7	165	-74.4	-179.6	0	0	0	109.9	S39 N40 E43 V155 L159	L37-S39 PolarHBondContact O-N 3.46Å; L37-S39 VanDerWaalsContact O-N 3.16Å; L37-N40 HydrophobicContact CB-CB 4.41Å; L37-N40 CarbonylContact O-C 3.5Å; L37-N40 VanDerWaalsContact O-C 3.32Å; L37-N40 PolarHBondContact O-N 3.5Å; L37-E43 HydrophobicContact CD1-CB 3.93Å; L37-E43 HydrophobicContact CD1-CG 3.67Å; L37-E43 HydrophobicContact CG-CB 4.4Å; L37-E43 HydrophobicContact CG-CG 4.22Å; L37-E43 PolarHBondContact N-O 2.8Å; L37-V155 HydrophobicContact CD2-CG1 4.34Å; L37-L159 HydrophobicContact CD2-CD1 3.89Å; L37-L159 HydrophobicContact CD2-CD2 4.49Å
38	P	95.8	Very high	98	Very high	123 Å²	123	41.5 Å²	41.5	80%	0.799	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.4	179.1	-26.3	33.6	0	0	0	113.3
39	S	96.1	Very high	98	Very high	116 Å²	116	41 Å²	41	81%	0.811	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-16.6	-180	56.5	0	0	0	0	114	L37	L37-S39 PolarHBondContact O-N 3.46Å; L37-S39 VanDerWaalsContact O-N 3.16Å
40	N	97.4	Very high	98.1	Very high	60 Å²	60	40.1 Å²	40.1	32%	0.321	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	97.7	-174.4	-178.8	17.2	0	0	0	112.1	L37 L42 E43	L37-N40 HydrophobicContact CB-CB 4.41Å; L37-N40 CarbonylContact O-C 3.5Å; L37-N40 VanDerWaalsContact O-C 3.32Å; L37-N40 PolarHBondContact O-N 3.5Å; N40-L42 PolarHBondContact O-N 3Å; N40-L42 VanDerWaalsContact O-N 3.08Å; N40-L42 WeakPolarHBondContact OD1-CB 3.49Å; N40-L42 PolarHBondContact OD1-N 3.04Å; N40-E43 PolarHBondContact O-N 3.49Å; N40-E43 VanDerWaalsContact O-O 3.05Å
41	I	97.7	Very high	98.1	Very high	42 Å²	42	36.3 Å²	36.3	22%	0.215	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-14.6	177.1	-159.3	171.5	0	0	0	113.9	T14 L17 K18 P36 E43 W44	T14-I41 HydrophobicContact CG2-CD1 4.36Å; T14-I41 HydrophobicContact CG2-CG2 3.97Å; L17-I41 HydrophobicContact CB-CD1 4.27Å; L17-I41 HydrophobicContact CB-CG1 4.19Å; L17-I41 WeakPolarHBondContact CD1-O 3.37Å; K18-I41 HydrophobicContact CD-CD1 4.5Å; K18-I41 HydrophobicContact CG-CD1 3.53Å; P36-I41 HydrophobicContact CB-CG1 4.24Å; I41-E43 VanDerWaalsContact C-N 3.26Å; I41-W44 PolarHBondContact O-NE1 2.94Å
42	L	98.4	Very high	98.1	Very high	32 Å²	32	37.4 Å²	37.4	17%	0.168	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-1.9	176.1	-57.8	-179.1	0	0	0	112.6	A13 L17 N40 F67 R69	A13-L42 HydrophobicContact CB-CD2 3.99Å; L17-L42 HydrophobicContact CD1-CD2 3.63Å; N40-L42 PolarHBondContact O-N 3Å; N40-L42 VanDerWaalsContact O-N 3.08Å; N40-L42 WeakPolarHBondContact OD1-CB 3.49Å; N40-L42 PolarHBondContact OD1-N 3.04Å; L42-F67 HydrophobicContact CB-CB 4.4Å; L42-F67 HydrophobicContact CD2-CB 4.32Å; L42-F67 WeakPolarHBondContact O-CD2 3.22Å; L42-F67 PolarHBondContact O-N 3.42Å; L42-R69 HydrophobicContact CD1-CG 4.24Å
43	E	98.6	Very high	98	Very high	36 Å²	36	46.4 Å²	46.4	17%	0.168	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	120.3	172.1	-178.6	165.1	-179.9	0	0	108.8	L37 N40 I41 H45 K64 L65 V66	L37-E43 HydrophobicContact CD1-CB 3.93Å; L37-E43 HydrophobicContact CD1-CG 3.67Å; L37-E43 HydrophobicContact CG-CB 4.4Å; L37-E43 HydrophobicContact CG-CG 4.22Å; L37-E43 PolarHBondContact N-O 2.8Å; N40-E43 PolarHBondContact O-N 3.49Å; N40-E43 VanDerWaalsContact O-O 3.05Å; I41-E43 VanDerWaalsContact C-N 3.26Å; E43-H45 IonicContact OE1-NE2 2.77Å; E43-K64 HydrophobicContact CG-CD 4.46Å; E43-K64 WeakPolarHBondContact OE1-CD 3.29Å; E43-K64 IonicContact OE1-NZ 3.92Å; E43-K64 PolarHBondContact OE1-NZ 3.03Å; E43-L65 WeakPolarHBondContact CA-O 3.5Å; E43-V66 HydrophobicContact CG-CG2 4.48Å
44	W	98.8	Very high	98	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.8	178.4	-71.7	41.9	0	0	0	109.1	L17 Y21 I24 A34 E35 P36 I41 K64 L65 F67 V111	L17-W44 HydrophobicContact CB-CZ2 4.14Å; L17-W44 HydrophobicContact CD2-CZ2 4.17Å; L17-W44 WeakPolarHBondContact O-CZ2 3.33Å; Y21-W44 VanDerWaalsContact CA-CH2 3.47Å; Y21-W44 VanDerWaalsContact CB-CH2 3.5Å; Y21-W44 AromaticContact CD2-CH2 3.9Å; Y21-W44 HydrophobicContact CD2-CH2 3.9Å; Y21-W44 HydrophobicContact CD2-CZ2 4.48Å; Y21-W44 HydrophobicContact CD2-CZ3 4.13Å; Y21-W44 HydrophobicContact CG-CH2 4.2Å; I24-W44 HydrophobicContact CG2-CZ3 4.34Å; A34-W44 HydrophobicContact CB-CE3 4.18Å; E35-W44 CarbonylContact O-C 3.56Å; E35-W44 VanDerWaalsContact O-CA 3.28Å; E35-W44 WeakPolarHBondContact O-CA 3.39Å; P36-W44 HydrophobicContact CB-CD2 4.14Å; P36-W44 HydrophobicContact CB-CG 4.17Å; P36-W44 HydrophobicContact CB-CZ2 4.47Å; I41-W44 PolarHBondContact O-NE1 2.94Å; W44-K64 CarbonylContact O-C 3.52Å; W44-K64 WeakPolarHBondContact O-CA 3.45Å; W44-K64 VanDerWaalsContact O-CB 3.29Å; W44-K64 WeakPolarHBondContact O-CB 3.44Å; W44-L65 HydrophobicContact CB-CB 4.38Å; W44-L65 PolarHBondContact N-O 2.99Å; W44-L65 PolarHBondContact O-N 3.27Å; W44-F67 HydrophobicContact CB-CE2 4Å; W44-F67 AromaticContact CD1-CD2 3.91Å; W44-F67 AromaticContact CD1-CE2 3.48Å; W44-F67 VanDerWaalsContact CD1-CE2 3.48Å; W44-F67 HydrophobicContact CD2-CE2 4.25Å; W44-F67 HydrophobicContact CG-CD2 4.49Å; W44-F67 AromaticContact CG-CE2 3.66Å; W44-F67 HydrophobicContact CG-CE2 3.66Å; W44-F67 AromaticContact NE1-CE2 3.94Å; W44-V111 HydrophobicContact CE3-CG1 3.88Å; W44-V111 HydrophobicContact CH2-CG2 4.16Å; W44-V111 HydrophobicContact CZ3-CB 4.25Å; W44-V111 HydrophobicContact CZ3-CG1 3.8Å; W44-V111 HydrophobicContact CZ3-CG2 4.21Å
45	H	98.8	Very high	98	Very high	11 Å²	11	46.4 Å²	46.4	5%	0.051	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	153.5	166.6	-72.7	-101.3	0	0	0	109.9	A34 E35 E43 H62 G63 L159 F160	A34-H45 CarbonylContact C-O 3.47Å; A34-H45 VanDerWaalsContact CA-O 3.27Å; A34-H45 WeakPolarHBondContact CA-O 3.47Å; E35-H45 PolarHBondContact N-O 2.97Å; E35-H45 PolarHBondContact O-N 3.39Å; E43-H45 IonicContact OE1-NE2 2.77Å; H45-H62 AromaticContact CE1-CE1 3.99Å; H45-H62 AromaticContact CE1-NE2 3.93Å; H45-H62 AromaticContact CG-NE2 3.57Å; H45-H62 AromaticContact ND1-CD2 3.91Å; H45-H62 AromaticContact ND1-CE1 3.33Å; H45-H62 PolarHBondContact ND1-CE1 3.28Å; H45-H62 VanDerWaalsContact ND1-CE1 3.33Å; H45-H62 AromaticContact ND1-NE2 2.91Å; H45-H62 PolarHBondContact ND1-NE2 3.22Å; H45-G63 VanDerWaalsContact CA-O 3.31Å; H45-G63 WeakPolarHBondContact CA-O 3.38Å; H45-L159 HydrophobicContact CB-CD1 3.65Å; H45-F160 HydrophobicContact CB-CE2 3.82Å; H45-F160 HydrophobicContact CB-CZ 3.77Å
46	Y	98.9	Very high	98	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.7	173	62.8	-98.9	0	0	0	110.7	C33 V48 H62 G63 K64 L65 I78 Y79 M80 L115 L118	C33-Y46 CarbonylContact O-C 3.49Å; C33-Y46 WeakPolarHBondContact O-CA 3.5Å; C33-Y46 WeakPolarHBondContact O-CB 3.31Å; Y46-V48 HydrophobicContact CD2-CG2 4.03Å; Y46-V48 HydrophobicContact CE2-CG2 4.13Å; Y46-H62 WeakPolarHBondContact O-CA 3.3Å; Y46-H62 PolarHBondContact O-CD2 3.42Å; Y46-G63 VanDerWaalsContact CE1-C 3.49Å; Y46-G63 PolarHBondContact N-O 3.43Å; Y46-G63 PolarHBondContact O-N 2.85Å; Y46-K64 VanDerWaalsContact CE1-N 3.25Å; Y46-L65 HydrophobicContact CD1-CD2 4.32Å; Y46-L65 HydrophobicContact CD1-CG 4Å; Y46-L65 HydrophobicContact CE1-CD2 4.03Å; Y46-L65 HydrophobicContact CE1-CG 4.16Å; Y46-I78 HydrophobicContact CE1-CG2 4.3Å; Y46-Y79 PolarHBondContact OH-O 3.23Å; Y46-M80 HydrophobicContact CE2-CE 4.38Å; Y46-M80 HydrophobicContact CE2-SD 4.11Å; Y46-L115 HydrophobicContact CD1-CD2 3.48Å; Y46-L115 VanDerWaalsContact CD1-CD2 3.48Å; Y46-L115 HydrophobicContact CD2-CD2 4.12Å; Y46-L115 HydrophobicContact CE1-CD2 3.99Å; Y46-L115 HydrophobicContact CG-CD2 3.53Å; Y46-L118 HydrophobicContact CD2-CD2 4.39Å; Y46-L118 HydrophobicContact CE1-CD2 4.08Å; Y46-L118 HydrophobicContact CE2-CD2 3.55Å; Y46-L118 VanDerWaalsContact OH-CD2 3.23Å; Y46-L118 WeakPolarHBondContact OH-CD2 3.4Å
47	V	98.9	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.7	170.1	-173.2	0	0	0	0	108.5	I32 C33 Y60 Y61 F156 F160 V163	I32-V47 WeakPolarHBondContact CA-O 3.38Å; C33-V47 PolarHBondContact N-O 2.92Å; C33-V47 PolarHBondContact O-N 3.29Å; V47-Y60 HydrophobicContact CG1-CD1 4.21Å; V47-Y61 WeakPolarHBondContact CA-O 3.28Å; V47-F156 HydrophobicContact CB-CE2 4.46Å; V47-F156 HydrophobicContact CG1-CE2 4.11Å; V47-F156 HydrophobicContact CG2-CD2 4.05Å; V47-F156 HydrophobicContact CG2-CE2 3.48Å; V47-F156 VanDerWaalsContact CG2-CE2 3.48Å; V47-F156 HydrophobicContact CG2-CZ 4.39Å; V47-F160 HydrophobicContact CG2-CB 4.41Å; V47-F160 HydrophobicContact CG2-CD1 3.92Å; V47-F160 HydrophobicContact CG2-CD2 3.54Å; V47-F160 HydrophobicContact CG2-CE1 4Å; V47-F160 HydrophobicContact CG2-CE2 3.66Å; V47-F160 HydrophobicContact CG2-CG 3.68Å; V47-F160 HydrophobicContact CG2-CZ 3.9Å; V47-V163 HydrophobicContact CG1-CG1 4.28Å
48	V	98.8	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.7	169.6	174	0	0	0	0	108.5	Y31 I32 Y46 Y60 Y61 L119 M122	Y31-V48 CarbonylContact O-C 3.6Å; Y31-V48 WeakPolarHBondContact O-CA 3.49Å; I32-V48 HydrophobicContact CG1-CG2 4.27Å; Y46-V48 HydrophobicContact CD2-CG2 4.03Å; Y46-V48 HydrophobicContact CE2-CG2 4.13Å; V48-Y60 WeakPolarHBondContact O-CA 3.41Å; V48-Y61 HydrophobicContact CG1-CD2 4.48Å; V48-Y61 PolarHBondContact N-O 3.02Å; V48-Y61 WeakPolarHBondContact O-CD2 3.34Å; V48-Y61 PolarHBondContact O-N 2.83Å; V48-L119 HydrophobicContact CG1-CD1 3.7Å; V48-M122 HydrophobicContact CG1-SD 4.31Å
49	R	98.7	Very high	98.1	Very high	78 Å²	78	42.6 Å²	42.6	29%	0.294	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	126.7	166.9	-59.8	179	-172.8	173.6	-4.9	107.8	Y31 P51 Y60 E166	Y31-R49 WeakPolarHBondContact CB-O 3.42Å; Y31-R49 HydrophobicContact CD1-CB 4.43Å; Y31-R49 PolarHBondContact O-N 3.47Å; R49-P51 VanDerWaalsContact O-CD 3.27Å; R49-P51 WeakPolarHBondContact O-CD 3.3Å; R49-Y60 HydrophobicContact CG-CD1 3.95Å; R49-Y60 HydrophobicContact CG-CE1 3.76Å; R49-E166 IonicContact CZ-OE1 3.39Å; R49-E166 IonicContact CZ-OE2 3.31Å; R49-E166 IonicContact NE-OE1 2.78Å; R49-E166 IonicContact NE-OE2 3.62Å; R49-E166 IonicContact NH1-OE1 2.54Å; R49-E166 IonicContact NH1-OE2 2.64Å; R49-E166 PolarHBondContact NH1-OE2 3.44Å; R49-E166 IonicContact NH2-OE2 2.97Å; R49-E166 PolarHBondContact NH2-OE2 3.47Å
50	G	98.3	Very high	98.2	Very high	8 Å²	8	37.1 Å²	37.1	8%	0.082	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-62.7	119.4	178.9	0	0	0	0	0	111	Y56 G59	G50-Y56 WeakPolarHBondContact CA-O 3.49Å; G50-G59 PolarHBondContact N-O 3.35Å
51	P	98.4	Very high	98.3	Very high	15 Å²	15	34.3 Å²	34.3	10%	0.097	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-63.2	153.1	-178.6	-22.6	33.8	0	0	0	112.3	Y31 R49 T54 L119 V123	Y31-P51 HydrophobicContact CD1-CB 4.34Å; Y31-P51 HydrophobicContact CD1-CG 4.26Å; Y31-P51 HydrophobicContact CD2-CG 4.37Å; Y31-P51 HydrophobicContact CE1-CB 4.01Å; Y31-P51 HydrophobicContact CE1-CG 4.41Å; Y31-P51 HydrophobicContact CE2-CB 4.45Å; Y31-P51 HydrophobicContact CG-CG 4.25Å; R49-P51 VanDerWaalsContact O-CD 3.27Å; R49-P51 WeakPolarHBondContact O-CD 3.3Å; P51-T54 HydrophobicContact CB-CG2 4.03Å; P51-T54 WeakPolarHBondContact O-CB 3.32Å; P51-T54 PolarHBondContact O-N 3.22Å; P51-T54 PolarHBondContact O-OG1 3.04Å; P51-L119 HydrophobicContact CG-CD1 3.85Å; P51-L119 HydrophobicContact CG-CD2 4.36Å; P51-V123 HydrophobicContact CG-CG1 4.37Å
52	E	97.5	Very high	98.4	Very high	114 Å²	114	32.3 Å²	32.3	53%	0.533	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	152.1	175.7	-57.9	78.1	-171.7	0	0	111.1	Y31 T54 E57	Y31-E52 PolarHBondContact OH-OE2 3.01Å; E52-T54 PolarHBondContact O-N 3.45Å; E52-E57 WeakPolarHBondContact CA-OE2 3.44Å
53	K	96.2	Very high	98.4	Very high	201 Å²	201	30.8 Å²	30.8	87%	0.874	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	19.9	-179.4	-50.9	175.5	-177.2	175.2	0	113.5	E57	K53-E57 PolarHBondContact N-OE2 3.47Å
54	T	97.9	Very high	98.4	Very high	21 Å²	21	31.7 Å²	31.7	13%	0.129	16%	0.157	C	C	.	.	S	Bend	trans	-113.3	163.5	170.7	76.8	0	0	0	0	110.4	P51 E52 Y56 E57 V123	P51-T54 HydrophobicContact CB-CG2 4.03Å; P51-T54 WeakPolarHBondContact O-CB 3.32Å; P51-T54 PolarHBondContact O-N 3.22Å; P51-T54 PolarHBondContact O-OG1 3.04Å; E52-T54 PolarHBondContact O-N 3.45Å; T54-Y56 PolarHBondContact O-N 3.3Å; T54-Y56 VanDerWaalsContact O-N 3.1Å; T54-Y56 PolarHBondContact OG1-N 2.6Å; T54-Y56 VanDerWaalsContact OG1-N 3.17Å; T54-E57 WeakPolarHBondContact O-CB 3.5Å; T54-E57 PolarHBondContact O-N 2.91Å; T54-E57 PolarHBondContact OG1-N 3.33Å; T54-V123 HydrophobicContact CG2-CG1 4.07Å
55	P	98.2	Very high	98.4	Very high	23 Å²	23	31.7 Å²	31.7	15%	0.149	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-12.1	170.5	-22.6	34.7	0	0	0	114.1	D136 K139 R140	P55-D136 HydrophobicContact CB-CB 4.16Å; P55-D136 HydrophobicContact CG-CB 4.1Å; P55-K139 HydrophobicContact CB-CB 3.77Å; P55-K139 HydrophobicContact CB-CD 3.84Å; P55-K139 HydrophobicContact CB-CG 4.44Å; P55-K139 HydrophobicContact CG-CD 4.4Å; P55-K139 CarbonylContact O-C 3.47Å; P55-R140 PolarHBondContact O-N 2.87Å
56	Y	98.6	Very high	98.3	Very high	8 Å²	8	33.5 Å²	33.5	3%	0.031	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-10	-175.6	-51.6	-70.3	0	0	0	113.6	G50 T54 G59 Y61 R86 M122 V123 K139	G50-Y56 WeakPolarHBondContact CA-O 3.49Å; T54-Y56 PolarHBondContact O-N 3.3Å; T54-Y56 VanDerWaalsContact O-N 3.1Å; T54-Y56 PolarHBondContact OG1-N 2.6Å; T54-Y56 VanDerWaalsContact OG1-N 3.17Å; Y56-G59 PolarHBondContact O-N 2.96Å; Y56-Y61 WeakPolarHBondContact CA-OH 3.41Å; Y56-Y61 WeakPolarHBondContact CB-OH 3.44Å; Y56-Y61 HydrophobicContact CD1-CE2 4.43Å; Y56-Y61 HydrophobicContact CG-CE2 4.45Å; Y56-Y61 PolarHBondContact O-OH 3.12Å; Y56-R86 HydrophobicContact CE1-CB 4.1Å; Y56-R86 VanDerWaalsContact OH-CB 3.3Å; Y56-R86 WeakPolarHBondContact OH-CB 3.11Å; Y56-M122 HydrophobicContact CD1-CE 3.5Å; Y56-M122 VanDerWaalsContact CD1-CE 3.5Å; Y56-M122 HydrophobicContact CE1-CE 3.72Å; Y56-M122 HydrophobicContact CE1-CG 4.35Å; Y56-M122 HydrophobicContact CE2-CG 4.17Å; Y56-M122 WeakPolarHBondContact CE2-O 3.49Å; Y56-M122 HydrophobicContact CG-CE 3.93Å; Y56-M122 VanDerWaalsContact CZ-O 3.25Å; Y56-M122 PolarHBondContact OH-O 3.11Å; Y56-V123 HydrophobicContact CD2-CG1 4.3Å; Y56-V123 HydrophobicContact CE2-CG1 4.43Å; Y56-K139 HydrophobicContact CE1-CD 3.72Å; Y56-K139 HydrophobicContact CE1-CG 4.35Å
57	E	98.4	Very high	98.3	Very high	92 Å²	92	33.9 Å²	33.9	43%	0.43	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.2	136.6	-177.6	-175.9	177.8	149.3	0	0	112	E52 K53 T54 G59 S143	E52-E57 WeakPolarHBondContact CA-OE2 3.44Å; K53-E57 PolarHBondContact N-OE2 3.47Å; T54-E57 WeakPolarHBondContact O-CB 3.5Å; T54-E57 PolarHBondContact O-N 2.91Å; T54-E57 PolarHBondContact OG1-N 3.33Å; E57-G59 PolarHBondContact O-N 3.24Å; E57-S143 PolarHBondContact O-OG 3.49Å; E57-S143 VanDerWaalsContact O-OG 3.1Å
58	G	97.4	Very high	98.1	Very high	36 Å²	36	35.7 Å²	35.7	37%	0.371	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-11.8	-177.7	0	0	0	0	0	115
59	G	98.4	Very high	98	Very high	1 Å²	1	46 Å²	46	1%	0.01	22%	0.221	C	C	.	.			trans	-86.8	157.7	178	0	0	0	0	0	114.3	G50 Y56 E57 S143 S146	G50-G59 PolarHBondContact N-O 3.35Å; Y56-G59 PolarHBondContact O-N 2.96Å; E57-G59 PolarHBondContact O-N 3.24Å; G59-S143 WeakPolarHBondContact CA-O 3.22Å; G59-S146 WeakPolarHBondContact CA-OG 3.4Å
60	Y	98.8	Very high	97.8	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.3	175.6	-67.4	-103.8	0	0	0	108.8	V47 V48 R49 S146 L147 N150 V163 E166 I167 K170	V47-Y60 HydrophobicContact CG1-CD1 4.21Å; V48-Y60 WeakPolarHBondContact O-CA 3.41Å; R49-Y60 HydrophobicContact CG-CD1 3.95Å; R49-Y60 HydrophobicContact CG-CE1 3.76Å; Y60-S146 PolarHBondContact N-OG 3.3Å; Y60-S146 WeakPolarHBondContact O-CB 3.39Å; Y60-S146 PolarHBondContact O-OG 2.93Å; Y60-L147 HydrophobicContact CD2-CD2 3.41Å; Y60-L147 VanDerWaalsContact CD2-CD2 3.41Å; Y60-L147 HydrophobicContact CE2-CD2 3.61Å; Y60-N150 WeakPolarHBondContact CB-ND2 3.44Å; Y60-N150 PolarHBondContact O-ND2 3.39Å; Y60-V163 HydrophobicContact CD1-CG1 3.54Å; Y60-V163 HydrophobicContact CE1-CG1 3.8Å; Y60-E166 VanDerWaalsContact OH-CD 3.26Å; Y60-E166 PolarHBondContact OH-OE1 3.1Å; Y60-I167 HydrophobicContact CD1-CD1 4.17Å; Y60-I167 HydrophobicContact CD1-CG1 4.17Å; Y60-I167 HydrophobicContact CD2-CD1 4.13Å; Y60-I167 HydrophobicContact CD2-CG1 3.86Å; Y60-I167 HydrophobicContact CE1-CG1 4.18Å; Y60-I167 HydrophobicContact CE2-CG1 3.88Å; Y60-I167 HydrophobicContact CG-CD1 3.9Å; Y60-I167 HydrophobicContact CG-CG1 4.03Å; Y60-K170 HydrophobicContact CE2-CD 4.3Å; Y60-K170 WeakPolarHBondContact OH-CD 3.45Å; Y60-K170 VanDerWaalsContact OH-CE 3.29Å; Y60-K170 WeakPolarHBondContact OH-CE 3.42Å; Y60-K170 PolarHBondContact OH-NZ 3.4Å
61	Y	98.9	Very high	97.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	102.9	-171.7	-49.9	-80.9	0	0	0	110	V47 V48 Y56 T82 N84 M122 S143	V47-Y61 WeakPolarHBondContact CA-O 3.28Å; V48-Y61 HydrophobicContact CG1-CD2 4.48Å; V48-Y61 PolarHBondContact N-O 3.02Å; V48-Y61 WeakPolarHBondContact O-CD2 3.34Å; V48-Y61 PolarHBondContact O-N 2.83Å; Y56-Y61 WeakPolarHBondContact CA-OH 3.41Å; Y56-Y61 WeakPolarHBondContact CB-OH 3.44Å; Y56-Y61 HydrophobicContact CD1-CE2 4.43Å; Y56-Y61 HydrophobicContact CG-CE2 4.45Å; Y56-Y61 PolarHBondContact O-OH 3.12Å; Y61-T82 HydrophobicContact CD1-CG2 4.42Å; Y61-N84 HydrophobicContact CD1-CB 3.55Å; Y61-N84 HydrophobicContact CE1-CB 3.77Å; Y61-N84 HydrophobicContact CG-CB 4.5Å; Y61-M122 HydrophobicContact CD1-CE 3.97Å; Y61-M122 HydrophobicContact CD2-CE 3.57Å; Y61-M122 HydrophobicContact CE1-CE 4.15Å; Y61-M122 HydrophobicContact CE2-CE 3.82Å; Y61-M122 HydrophobicContact CG-CE 3.66Å; Y61-S143 WeakPolarHBondContact OH-CB 3.26Å
62	H	98.9	Very high	97.6	Very high	1 Å²	1	46 Å²	46	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.5	174.7	178.8	-135.5	0	0	0	110.4	H45 Y46 I81 T82 D153 F156 F160	H45-H62 AromaticContact CE1-CE1 3.99Å; H45-H62 AromaticContact CE1-NE2 3.93Å; H45-H62 AromaticContact CG-NE2 3.57Å; H45-H62 AromaticContact ND1-CD2 3.91Å; H45-H62 AromaticContact ND1-CE1 3.33Å; H45-H62 PolarHBondContact ND1-CE1 3.28Å; H45-H62 VanDerWaalsContact ND1-CE1 3.33Å; H45-H62 AromaticContact ND1-NE2 2.91Å; H45-H62 PolarHBondContact ND1-NE2 3.22Å; Y46-H62 WeakPolarHBondContact O-CA 3.3Å; Y46-H62 PolarHBondContact O-CD2 3.42Å; H62-I81 WeakPolarHBondContact O-CA 3.12Å; H62-I81 WeakPolarHBondContact O-CB 3.31Å; H62-I81 PolarHBondContact O-N 2.91Å; H62-T82 WeakPolarHBondContact CB-OG1 3.5Å; H62-T82 PolarHBondContact N-OG1 3.29Å; H62-T82 PolarHBondContact O-N 3.33Å; H62-D153 IonicContact CE1-OD2 3.84Å; H62-D153 IonicContact ND1-OD2 3.77Å; H62-F156 HydrophobicContact CB-CD2 3.76Å; H62-F156 HydrophobicContact CB-CE2 4.19Å; H62-F156 AromaticContact CD2-CD2 3.91Å; H62-F156 AromaticContact CG-CD2 3.78Å; H62-F160 AromaticContact CD2-CE2 3.83Å; H62-F160 AromaticContact NE2-CE2 3.89Å
63	G	98.8	Very high	97.3	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-172.4	175.3	0	0	0	0	0	111.4	H45 Y46 Y79	H45-G63 VanDerWaalsContact CA-O 3.31Å; H45-G63 WeakPolarHBondContact CA-O 3.38Å; Y46-G63 VanDerWaalsContact CE1-C 3.49Å; Y46-G63 PolarHBondContact N-O 3.43Å; Y46-G63 PolarHBondContact O-N 2.85Å; G63-Y79 CarbonylContact C-O 3.32Å; G63-Y79 WeakPolarHBondContact CA-O 3.22Å
64	K	98.4	Very high	97.1	Very high	55 Å²	55	42.6 Å²	42.6	24%	0.239	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	151.1	177.8	63.9	178.6	-174	176.4	0	114.5	E43 W44 Y46 Y79 I81	E43-K64 HydrophobicContact CG-CD 4.46Å; E43-K64 WeakPolarHBondContact OE1-CD 3.29Å; E43-K64 IonicContact OE1-NZ 3.92Å; E43-K64 PolarHBondContact OE1-NZ 3.03Å; W44-K64 CarbonylContact O-C 3.52Å; W44-K64 WeakPolarHBondContact O-CA 3.45Å; W44-K64 VanDerWaalsContact O-CB 3.29Å; W44-K64 WeakPolarHBondContact O-CB 3.44Å; Y46-K64 VanDerWaalsContact CE1-N 3.25Å; K64-Y79 HydrophobicContact CG-CD2 4.12Å; K64-Y79 HydrophobicContact CG-CG 4.36Å; K64-Y79 PolarHBondContact N-O 3.44Å; K64-Y79 PolarHBondContact O-N 3.44Å; K64-I81 HydrophobicContact CD-CD1 4.46Å; K64-I81 HydrophobicContact CG-CD1 4.36Å
65	L	98.4	Very high	96.9	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.4	169.1	-56.1	177.4	0	0	0	108.6	E43 W44 Y46 F67 S77 I78 V111 I114 L115	E43-L65 WeakPolarHBondContact CA-O 3.5Å; W44-L65 HydrophobicContact CB-CB 4.38Å; W44-L65 PolarHBondContact N-O 2.99Å; W44-L65 PolarHBondContact O-N 3.27Å; Y46-L65 HydrophobicContact CD1-CD2 4.32Å; Y46-L65 HydrophobicContact CD1-CG 4Å; Y46-L65 HydrophobicContact CE1-CD2 4.03Å; Y46-L65 HydrophobicContact CE1-CG 4.16Å; L65-F67 HydrophobicContact CB-CD2 4.46Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CB-CZ 3.79Å; L65-F67 HydrophobicContact CD1-CE2 4.29Å; L65-F67 HydrophobicContact CD1-CZ 3.7Å; L65-F67 HydrophobicContact CG-CZ 4.4Å; L65-S77 CarbonylContact C-O 3.56Å; L65-S77 WeakPolarHBondContact CA-O 3.5Å; L65-I78 HydrophobicContact CD2-CB 4.17Å; L65-I78 HydrophobicContact CD2-CD1 4.12Å; L65-I78 HydrophobicContact CD2-CG1 3.64Å; L65-I78 HydrophobicContact CD2-CG2 3.97Å; L65-V111 HydrophobicContact CD1-CG1 3.92Å; L65-I114 HydrophobicContact CD2-CG2 4.26Å; L65-L115 HydrophobicContact CD1-CD2 3.92Å; L65-L115 HydrophobicContact CD1-CG 4.18Å; L65-L115 HydrophobicContact CD2-CD2 4.24Å; L65-L115 HydrophobicContact CG-CD2 4.24Å
66	V	98.1	Very high	96.8	Very high	49 Å²	49	40.8 Å²	40.8	30%	0.297	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.5	173.6	-177.4	0	0	0	0	108.4	E43 P76 S77 Y79	E43-V66 HydrophobicContact CG-CG2 4.48Å; V66-P76 VanDerWaalsContact O-CA 3.31Å; V66-P76 WeakPolarHBondContact O-CA 3.39Å; V66-P76 WeakPolarHBondContact O-CB 3.19Å; V66-S77 PolarHBondContact N-O 2.98Å; V66-S77 PolarHBondContact O-N 3.49Å; V66-Y79 HydrophobicContact CB-CE2 4.31Å; V66-Y79 HydrophobicContact CG2-CD2 4.25Å; V66-Y79 HydrophobicContact CG2-CE2 3.88Å
67	F	97.6	Very high	96.6	Very high	8 Å²	8	40.8 Å²	40.8	4%	0.035	20%	0.196	C	C	.	.			trans	-90.9	131.5	-175.8	-61.6	-84.8	0	0	0	111.1	L17 L42 W44 L65 F71 P76 V111	L17-F67 HydrophobicContact CD1-CB 4.04Å; L17-F67 HydrophobicContact CD1-CD1 4.48Å; L17-F67 HydrophobicContact CD1-CD2 4.03Å; L17-F67 HydrophobicContact CD1-CG 3.93Å; L17-F67 HydrophobicContact CD2-CD1 3.81Å; L17-F67 HydrophobicContact CD2-CD2 3.87Å; L17-F67 HydrophobicContact CD2-CE1 3.7Å; L17-F67 HydrophobicContact CD2-CE2 3.77Å; L17-F67 HydrophobicContact CD2-CG 3.9Å; L17-F67 HydrophobicContact CD2-CZ 3.69Å; L42-F67 HydrophobicContact CB-CB 4.4Å; L42-F67 HydrophobicContact CD2-CB 4.32Å; L42-F67 WeakPolarHBondContact O-CD2 3.22Å; L42-F67 PolarHBondContact O-N 3.42Å; W44-F67 HydrophobicContact CB-CE2 4Å; W44-F67 AromaticContact CD1-CD2 3.91Å; W44-F67 AromaticContact CD1-CE2 3.48Å; W44-F67 VanDerWaalsContact CD1-CE2 3.48Å; W44-F67 HydrophobicContact CD2-CE2 4.25Å; W44-F67 HydrophobicContact CG-CD2 4.49Å; W44-F67 AromaticContact CG-CE2 3.66Å; W44-F67 HydrophobicContact CG-CE2 3.66Å; W44-F67 AromaticContact NE1-CE2 3.94Å; L65-F67 HydrophobicContact CB-CD2 4.46Å; L65-F67 HydrophobicContact CB-CE2 3.69Å; L65-F67 HydrophobicContact CB-CZ 3.79Å; L65-F67 HydrophobicContact CD1-CE2 4.29Å; L65-F67 HydrophobicContact CD1-CZ 3.7Å; L65-F67 HydrophobicContact CG-CZ 4.4Å; F67-F71 HydrophobicContact CB-CB 4.31Å; F67-F71 HydrophobicContact CB-CG 4.46Å; F67-F71 HydrophobicContact CD1-CB 4.45Å; F67-F71 HydrophobicContact CD1-CD1 4.06Å; F67-F71 AromaticContact CD1-CD2 3.55Å; F67-F71 HydrophobicContact CD1-CD2 3.55Å; F67-F71 HydrophobicContact CD1-CE1 4.16Å; F67-F71 AromaticContact CD1-CE2 3.7Å; F67-F71 HydrophobicContact CD1-CE2 3.7Å; F67-F71 AromaticContact CD1-CG 3.75Å; F67-F71 HydrophobicContact CD1-CG 3.75Å; F67-F71 HydrophobicContact CD1-CZ 4Å; F67-F71 HydrophobicContact CE1-CD2 4.12Å; F67-F71 HydrophobicContact CE1-CE1 4.27Å; F67-F71 AromaticContact CE1-CE2 3.76Å; F67-F71 HydrophobicContact CE1-CE2 3.76Å; F67-F71 AromaticContact CE1-CZ 3.85Å; F67-F71 HydrophobicContact CE1-CZ 3.85Å; F67-P76 HydrophobicContact CD1-CB 3.61Å; F67-P76 HydrophobicContact CD1-CG 4.13Å; F67-P76 HydrophobicContact CE1-CB 3.74Å; F67-P76 HydrophobicContact CE1-CG 3.85Å; F67-P76 HydrophobicContact CG-CB 4.21Å; F67-P76 HydrophobicContact CZ-CB 4.43Å; F67-V111 HydrophobicContact CE1-CG2 4.19Å; F67-V111 HydrophobicContact CZ-CG2 3.76Å
68	P	96.4	Very high	96.5	Very high	37 Å²	37	36.4 Å²	36.4	24%	0.24	18%	0.175	C	C	.	.			trans	-70.7	162.6	169.9	31.5	-35.4	0	0	0	110.9	E70 F71 K74 P75	P68-E70 PolarHBondContact O-N 2.75Å; P68-F71 HydrophobicContact CG-CB 4.43Å; P68-F71 WeakPolarHBondContact O-CB 3.41Å; P68-F71 PolarHBondContact O-N 3.44Å; P68-F71 VanDerWaalsContact O-N 3.08Å; P68-K74 HydrophobicContact CG-CB 3.7Å; P68-P75 VanDerWaalsContact CD-O 3.29Å; P68-P75 WeakPolarHBondContact CD-O 3.41Å; P68-P75 WeakPolarHBondContact CG-O 3.28Å
69	R	96.2	Very high	96.5	Very high	216 Å²	216	36.9 Å²	36.9	82%	0.815	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-23	177.5	-69.3	-174	176.7	-165.2	-0.2	112.5	A13 L42 F71	A13-R69 WeakPolarHBondContact CB-O 3.49Å; L42-R69 HydrophobicContact CD1-CG 4.24Å; R69-F71 VanDerWaalsContact C-N 3.32Å
70	E	95	Very high	96.5	Very high	88 Å²	88	36.8 Å²	36.8	41%	0.411	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	1.8	178.6	-52.7	96.6	123.9	0	0	113.3	P68 F73 K74	P68-E70 PolarHBondContact O-N 2.75Å; E70-F73 WeakPolarHBondContact O-CA 3.16Å; E70-F73 WeakPolarHBondContact O-CB 3.33Å; E70-F73 PolarHBondContact O-N 2.88Å; E70-K74 HydrophobicContact CB-CB 4.26Å; E70-K74 HydrophobicContact CB-CD 3.99Å; E70-K74 HydrophobicContact CB-CG 4.01Å; E70-K74 HydrophobicContact CG-CD 4.31Å; E70-K74 PolarHBondContact O-N 2.98Å; E70-K74 IonicContact OE1-NZ 3.53Å; E70-K74 PolarHBondContact OE1-NZ 3.39Å
71	F	95.8	Very high	96.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	135.7	170.8	-176.1	-97.9	0	0	0	109.9	A13 R16 L17 F67 P68 R69 K74 W105 I114	A13-F71 WeakPolarHBondContact CA-O 3.43Å; A13-F71 HydrophobicContact CB-CB 4.04Å; A13-F71 VanDerWaalsContact CB-O 3.24Å; A13-F71 WeakPolarHBondContact CB-O 3.49Å; A13-F71 PolarHBondContact N-O 3.19Å; R16-F71 HydrophobicContact CB-CE1 4.49Å; R16-F71 HydrophobicContact CG-CD1 4.06Å; R16-F71 HydrophobicContact CG-CE1 3.63Å; L17-F71 HydrophobicContact CD1-CD1 4.29Å; L17-F71 HydrophobicContact CD2-CD1 3.92Å; L17-F71 HydrophobicContact CD2-CE1 3.55Å; L17-F71 HydrophobicContact CD2-CZ 4.26Å; L17-F71 HydrophobicContact CG-CD1 3.86Å; L17-F71 HydrophobicContact CG-CE1 3.88Å; F67-F71 HydrophobicContact CB-CB 4.31Å; F67-F71 HydrophobicContact CB-CG 4.46Å; F67-F71 HydrophobicContact CD1-CB 4.45Å; F67-F71 HydrophobicContact CD1-CD1 4.06Å; F67-F71 AromaticContact CD1-CD2 3.55Å; F67-F71 HydrophobicContact CD1-CD2 3.55Å; F67-F71 HydrophobicContact CD1-CE1 4.16Å; F67-F71 AromaticContact CD1-CE2 3.7Å; F67-F71 HydrophobicContact CD1-CE2 3.7Å; F67-F71 AromaticContact CD1-CG 3.75Å; F67-F71 HydrophobicContact CD1-CG 3.75Å; F67-F71 HydrophobicContact CD1-CZ 4Å; F67-F71 HydrophobicContact CE1-CD2 4.12Å; F67-F71 HydrophobicContact CE1-CE1 4.27Å; F67-F71 AromaticContact CE1-CE2 3.76Å; F67-F71 HydrophobicContact CE1-CE2 3.76Å; F67-F71 AromaticContact CE1-CZ 3.85Å; F67-F71 HydrophobicContact CE1-CZ 3.85Å; P68-F71 HydrophobicContact CG-CB 4.43Å; P68-F71 WeakPolarHBondContact O-CB 3.41Å; P68-F71 PolarHBondContact O-N 3.44Å; P68-F71 VanDerWaalsContact O-N 3.08Å; R69-F71 VanDerWaalsContact C-N 3.32Å; F71-K74 WeakPolarHBondContact CD2-O 3.49Å; F71-W105 HydrophobicContact CD2-CZ2 4.37Å; F71-W105 HydrophobicContact CE2-CH2 4.16Å; F71-W105 AromaticContact CE2-CZ2 3.88Å; F71-W105 HydrophobicContact CE2-CZ2 3.88Å; F71-I114 HydrophobicContact CE2-CD1 4.45Å
72	P	95	Very high	96.5	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.071	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.6	7.3	10.6	39	-37.9	0	0	0	115.4	R16 K74 W105 P107	R16-P72 HydrophobicContact CG-CB 4.18Å; R16-P72 HydrophobicContact CG-CG 4.09Å; R16-P72 VanDerWaalsContact NH1-CG 3.35Å; P72-K74 VanDerWaalsContact C-N 3.31Å; P72-W105 PolarHBondContact O-NE1 3.48Å; P72-P107 HydrophobicContact CB-CB 4.38Å; P72-P107 WeakPolarHBondContact CB-O 3.3Å; P72-P107 HydrophobicContact CG-CB 4.49Å; P72-P107 VanDerWaalsContact O-CA 3.32Å; P72-P107 WeakPolarHBondContact O-CA 3.21Å; P72-P107 VanDerWaalsContact O-CB 3.3Å; P72-P107 WeakPolarHBondContact O-CB 3.39Å
73	F	92.6	Very high	96.5	Very high	138 Å²	138	39.9 Å²	39.9	61%	0.605	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.6	-179.3	-56.5	-72	0	0	0	112.8	E70 P107	E70-F73 WeakPolarHBondContact O-CA 3.16Å; E70-F73 WeakPolarHBondContact O-CB 3.33Å; E70-F73 PolarHBondContact O-N 2.88Å; F73-P107 HydrophobicContact CD1-CB 4.36Å; F73-P107 HydrophobicContact CD1-CG 4.31Å
74	K	91.6	Very high	96.5	Very high	107 Å²	107	40 Å²	40	47%	0.465	19%	0.185	S	C	.	.	S	Bend	trans	-112.7	139.4	164.3	-67	-174.6	-176.5	168.2	0	110.5	P68 E70 F71 P72	P68-K74 HydrophobicContact CG-CB 3.7Å; E70-K74 HydrophobicContact CB-CB 4.26Å; E70-K74 HydrophobicContact CB-CD 3.99Å; E70-K74 HydrophobicContact CB-CG 4.01Å; E70-K74 HydrophobicContact CG-CD 4.31Å; E70-K74 PolarHBondContact O-N 2.98Å; E70-K74 IonicContact OE1-NZ 3.53Å; E70-K74 PolarHBondContact OE1-NZ 3.39Å; F71-K74 WeakPolarHBondContact CD2-O 3.49Å; P72-K74 VanDerWaalsContact C-N 3.31Å
75	P	92.9	Very high	96.4	Very high	6 Å²	6	37.4 Å²	37.4	4%	0.039	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-65.7	161	175.8	26.1	-36.7	0	0	0	113.4	P68 D99 W105	P68-P75 VanDerWaalsContact CD-O 3.29Å; P68-P75 WeakPolarHBondContact CD-O 3.41Å; P68-P75 WeakPolarHBondContact CG-O 3.28Å; P75-D99 HydrophobicContact CG-CB 3.73Å; P75-D99 VanDerWaalsContact CG-N 3.35Å; P75-W105 HydrophobicContact CB-CD2 3.56Å; P75-W105 HydrophobicContact CB-CE3 3.49Å; P75-W105 VanDerWaalsContact CB-CE3 3.49Å; P75-W105 HydrophobicContact CB-CG 4.1Å; P75-W105 HydrophobicContact CB-CH2 4.11Å; P75-W105 HydrophobicContact CB-CZ2 4.22Å; P75-W105 HydrophobicContact CB-CZ3 3.75Å; P75-W105 HydrophobicContact CG-CB 4.47Å; P75-W105 HydrophobicContact CG-CD2 4.18Å; P75-W105 HydrophobicContact CG-CE3 4.41Å; P75-W105 HydrophobicContact CG-CG 4.19Å
76	P	95.8	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-78	161.8	168.9	33.4	-33.8	0	0	0	112.6	V66 F67 I114	V66-P76 VanDerWaalsContact O-CA 3.31Å; V66-P76 WeakPolarHBondContact O-CA 3.39Å; V66-P76 WeakPolarHBondContact O-CB 3.19Å; F67-P76 HydrophobicContact CD1-CB 3.61Å; F67-P76 HydrophobicContact CD1-CG 4.13Å; F67-P76 HydrophobicContact CE1-CB 3.74Å; F67-P76 HydrophobicContact CE1-CG 3.85Å; F67-P76 HydrophobicContact CG-CB 4.21Å; F67-P76 HydrophobicContact CZ-CB 4.43Å; P76-I114 HydrophobicContact CG-CD1 3.94Å; P76-I114 HydrophobicContact CG-CG2 4.38Å
77	S	95.1	Very high	96.3	Very high	8 Å²	8	35.7 Å²	35.7	6%	0.056	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.7	162.4	-63.3	0	0	0	0	110.6	L65 V66 R92 D99	L65-S77 CarbonylContact C-O 3.56Å; L65-S77 WeakPolarHBondContact CA-O 3.5Å; V66-S77 PolarHBondContact N-O 2.98Å; V66-S77 PolarHBondContact O-N 3.49Å; S77-R92 PolarHBondContact OG-NE 2.9Å; S77-R92 PolarHBondContact OG-NH2 2.76Å; S77-D99 PolarHBondContact OG-OD1 3.46Å; S77-D99 PolarHBondContact OG-OD2 3.37Å
78	I	96.5	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	138.7	-176.4	-49.2	-174.2	0	0	0	110	Y46 L65 L93 L95 I97 T98 I114 L118	Y46-I78 HydrophobicContact CE1-CG2 4.3Å; L65-I78 HydrophobicContact CD2-CB 4.17Å; L65-I78 HydrophobicContact CD2-CD1 4.12Å; L65-I78 HydrophobicContact CD2-CG1 3.64Å; L65-I78 HydrophobicContact CD2-CG2 3.97Å; I78-L93 HydrophobicContact CG2-CD1 4.32Å; I78-L93 PolarHBondContact O-N 2.9Å; I78-L95 HydrophobicContact CD1-CD1 4.33Å; I78-I97 HydrophobicContact CD1-CD1 4.31Å; I78-I97 HydrophobicContact CD1-CG1 4.47Å; I78-T98 HydrophobicContact CB-CG2 4.45Å; I78-T98 HydrophobicContact CD1-CG2 3.52Å; I78-T98 HydrophobicContact CG1-CG2 3.76Å; I78-I114 HydrophobicContact CD1-CG2 3.8Å; I78-L118 HydrophobicContact CG2-CD1 4.14Å; I78-L118 HydrophobicContact CG2-CD2 3.98Å
79	Y	97.4	Very high	96.3	Very high	45 Å²	45	41.2 Å²	41.2	18%	0.176	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.9	-179	-56.4	-96	0	0	0	111.2	Y46 G63 K64 V66 R92	Y46-Y79 PolarHBondContact OH-O 3.23Å; G63-Y79 CarbonylContact C-O 3.32Å; G63-Y79 WeakPolarHBondContact CA-O 3.22Å; K64-Y79 HydrophobicContact CG-CD2 4.12Å; K64-Y79 HydrophobicContact CG-CG 4.36Å; K64-Y79 PolarHBondContact N-O 3.44Å; K64-Y79 PolarHBondContact O-N 3.44Å; V66-Y79 HydrophobicContact CB-CE2 4.31Å; V66-Y79 HydrophobicContact CG2-CD2 4.25Å; V66-Y79 HydrophobicContact CG2-CE2 3.88Å; Y79-R92 HydrophobicContact CE1-CB 3.87Å; Y79-R92 HydrophobicContact CE1-CG 4.41Å; Y79-R92 PolarHBondContact OH-NE 2.77Å
80	M	98.4	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.9	166.6	-157.4	65.6	75	0	0	109.9	Y46 N84 F87 C89 N90 M122	Y46-M80 HydrophobicContact CE2-CE 4.38Å; Y46-M80 HydrophobicContact CE2-SD 4.11Å; M80-N84 VanDerWaalsContact CG-ND2 3.29Å; M80-N84 WeakPolarHBondContact CG-ND2 3.33Å; M80-F87 HydrophobicContact CB-CB 4.2Å; M80-F87 HydrophobicContact CE-CD2 3.79Å; M80-F87 HydrophobicContact CE-CE2 4.19Å; M80-C89 CarbonylContact O-C 3.59Å; M80-C89 VanDerWaalsContact O-CA 3.26Å; M80-C89 WeakPolarHBondContact O-CA 3.29Å; M80-N90 PolarHBondContact O-N 2.88Å; M80-M122 HydrophobicContact CE-SD 4.07Å
81	I	98.7	Very high	96.2	Very high	22 Å²	22	34.1 Å²	34.1	11%	0.113	17%	0.17	C	C	.	.			trans	-98.9	-50.8	178.8	-62.6	164.1	0	0	0	109.1	H62 K64 F149	H62-I81 WeakPolarHBondContact O-CA 3.12Å; H62-I81 WeakPolarHBondContact O-CB 3.31Å; H62-I81 PolarHBondContact O-N 2.91Å; K64-I81 HydrophobicContact CD-CD1 4.46Å; K64-I81 HydrophobicContact CG-CD1 4.36Å; I81-F149 HydrophobicContact CG2-CE1 4.35Å
82	T	98.8	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	-66	132.9	-179.7	-48.1	0	0	0	0	111.5	Y61 H62 N84 F149 N150	Y61-T82 HydrophobicContact CD1-CG2 4.42Å; H62-T82 WeakPolarHBondContact CB-OG1 3.5Å; H62-T82 PolarHBondContact N-OG1 3.29Å; H62-T82 PolarHBondContact O-N 3.33Å; T82-N84 PolarHBondContact O-N 2.73Å; T82-N84 PolarHBondContact O-ND2 2.77Å; T82-F149 HydrophobicContact CG2-CD1 3.91Å; T82-F149 HydrophobicContact CG2-CE1 4.44Å; T82-N150 WeakPolarHBondContact CG2-OD1 3.49Å; T82-N150 PolarHBondContact OG1-OD1 3.36Å
83	P	98.7	Very high	95.6	Very high	45 Å²	45	38.3 Å²	38.3	29%	0.292	18%	0.184	S	C	.	.			trans	-54.3	127.1	169.3	-28.8	37.7	0	0	0	112.2	L142 F149	P83-L142 HydrophobicContact CB-CD2 3.88Å; P83-F149 HydrophobicContact CG-CD2 4.28Å; P83-F149 HydrophobicContact CG-CE2 4.08Å; P83-F149 HydrophobicContact CG-CZ 4.41Å
84	N	98.5	Very high	94.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.16	C	C	.	.			trans	-142.1	-13.5	-166.5	62.1	83	0	0	0	114.9	Y61 M80 T82 R86 F87 M122	Y61-N84 HydrophobicContact CD1-CB 3.55Å; Y61-N84 HydrophobicContact CE1-CB 3.77Å; Y61-N84 HydrophobicContact CG-CB 4.5Å; M80-N84 VanDerWaalsContact CG-ND2 3.29Å; M80-N84 WeakPolarHBondContact CG-ND2 3.33Å; T82-N84 PolarHBondContact O-N 2.73Å; T82-N84 PolarHBondContact O-ND2 2.77Å; N84-R86 PolarHBondContact O-N 2.88Å; N84-R86 WeakPolarHBondContact OD1-CA 3.14Å; N84-R86 WeakPolarHBondContact OD1-CB 3.42Å; N84-R86 PolarHBondContact OD1-N 2.99Å; N84-F87 PolarHBondContact ND2-O 3.05Å; N84-F87 VanDerWaalsContact ND2-O 3.1Å; N84-F87 PolarHBondContact OD1-N 2.83Å; N84-F87 PolarHBondContact OD1-O 2.81Å; N84-M122 HydrophobicContact CB-CE 4.23Å
85	G	97.3	Very high	94.2	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.021	14%	0.138	C	C	.	.	S	Bend	trans	74.2	5.3	177.3	0	0	0	0	0	115.3	T134 L142	G85-T134 WeakPolarHBondContact CA-OG1 3.29Å; G85-T134 PolarHBondContact O-OG1 2.84Å; G85-L142 VanDerWaalsContact N-CD1 3.33Å
86	R	96.9	Very high	92.8	Very high	13 Å²	13	29.7 Å²	29.7	5%	0.049	15%	0.154	C	C	.	.	S	Bend	trans	-117.6	-42.9	177.6	174.8	56.7	-178.8	133	4	112.8	Y56 N84 F121 M122 G126 S131 I132	Y56-R86 HydrophobicContact CE1-CB 4.1Å; Y56-R86 VanDerWaalsContact OH-CB 3.3Å; Y56-R86 WeakPolarHBondContact OH-CB 3.11Å; N84-R86 PolarHBondContact O-N 2.88Å; N84-R86 WeakPolarHBondContact OD1-CA 3.14Å; N84-R86 WeakPolarHBondContact OD1-CB 3.42Å; N84-R86 PolarHBondContact OD1-N 2.99Å; R86-F121 PolarHBondContact NE-O 2.64Å; R86-F121 PolarHBondContact NH2-O 3.42Å; R86-F121 VanDerWaalsContact NH2-O 3.08Å; R86-M122 HydrophobicContact CG-CG 4.35Å; R86-G126 VanDerWaalsContact CZ-O 3.3Å; R86-G126 PolarHBondContact NH1-O 3.34Å; R86-G126 PolarHBondContact NH2-O 3.09Å; R86-S131 CarbonylContact O-C 3.56Å; R86-S131 WeakPolarHBondContact O-CA 3.26Å; R86-S131 WeakPolarHBondContact O-CB 3.23Å; R86-I132 PolarHBondContact O-N 2.75Å
87	F	96.8	Very high	91.3	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-120.3	134.8	-179	-59.6	-55.8	0	0	0	109.8	M80 N84 C89 L93 L95 L118 F121 M122 G130	M80-F87 HydrophobicContact CB-CB 4.2Å; M80-F87 HydrophobicContact CE-CD2 3.79Å; M80-F87 HydrophobicContact CE-CE2 4.19Å; N84-F87 PolarHBondContact ND2-O 3.05Å; N84-F87 VanDerWaalsContact ND2-O 3.1Å; N84-F87 PolarHBondContact OD1-N 2.83Å; N84-F87 PolarHBondContact OD1-O 2.81Å; F87-C89 PolarHBondContact O-N 3.5Å; F87-L93 HydrophobicContact CB-CD1 4.03Å; F87-L93 HydrophobicContact CB-CD2 3.82Å; F87-L93 HydrophobicContact CD1-CD1 3.92Å; F87-L93 HydrophobicContact CD1-CD2 3.95Å; F87-L93 HydrophobicContact CD1-CG 4.5Å; F87-L93 HydrophobicContact CD2-CD1 3.97Å; F87-L93 HydrophobicContact CE1-CD1 4.37Å; F87-L93 HydrophobicContact CE2-CD1 4.39Å; F87-L93 HydrophobicContact CG-CD1 3.7Å; F87-L93 HydrophobicContact CG-CD2 4.07Å; F87-L95 HydrophobicContact CE1-CD2 4.32Å; F87-L118 HydrophobicContact CE2-CD1 3.96Å; F87-L118 HydrophobicContact CZ-CD1 4.28Å; F87-F121 HydrophobicContact CZ-CB 4.46Å; F87-M122 HydrophobicContact CE2-CB 3.82Å; F87-M122 HydrophobicContact CE2-CG 3.95Å; F87-M122 HydrophobicContact CZ-CB 4.29Å; F87-G130 CarbonylContact C-O 3.54Å; F87-G130 WeakPolarHBondContact CA-O 3.32Å
88	K	96.3	Very high	89.8	Confident	122 Å²	122	30 Å²	30	53%	0.53	16%	0.155	S	C	.	.			trans	-61.3	124.4	170.5	-171.2	176.2	179.1	178.2	0	108.9	T91 G130 I132	K88-T91 HydrophobicContact CD-CG2 4.42Å; K88-T91 WeakPolarHBondContact CD-OG1 3.27Å; K88-T91 WeakPolarHBondContact CG-OG1 3.48Å; K88-G130 WeakPolarHBondContact CB-O 3.36Å; K88-G130 PolarHBondContact N-O 2.69Å; K88-I132 HydrophobicContact CB-CG2 3.98Å
89	C	97.7	Very high	88.1	Confident	39 Å²	39	32.2 Å²	32.2	26%	0.264	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	148.5	-176.9	-58.4	0	0	0	0	111.7	M80 F87 T91	M80-C89 CarbonylContact O-C 3.59Å; M80-C89 VanDerWaalsContact O-CA 3.26Å; M80-C89 WeakPolarHBondContact O-CA 3.29Å; F87-C89 PolarHBondContact O-N 3.5Å; C89-T91 PolarHBondContact O-N 2.96Å; C89-T91 PolarHBondContact O-OG1 3.43Å; C89-T91 VanDerWaalsContact O-OG1 3.11Å
90	N	95.9	Very high	86.3	Confident	106 Å²	106	34 Å²	34	57%	0.567	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	23.4	176.8	-45.6	118.8	0	0	0	114.5	M80	M80-N90 PolarHBondContact O-N 2.88Å
91	T	94.2	Very high	85.1	Confident	49 Å²	49	37.8 Å²	37.8	30%	0.301	19%	0.193	S	C	.	.	S	Bend	trans	-112.8	141.7	176.5	-56.5	0	0	0	0	108	K88 C89 L93	K88-T91 HydrophobicContact CD-CG2 4.42Å; K88-T91 WeakPolarHBondContact CD-OG1 3.27Å; K88-T91 WeakPolarHBondContact CG-OG1 3.48Å; C89-T91 PolarHBondContact O-N 2.96Å; C89-T91 PolarHBondContact O-OG1 3.43Å; C89-T91 VanDerWaalsContact O-OG1 3.11Å; T91-L93 PolarHBondContact O-N 3.35Å
92	R	90.8	Very high	83.5	Confident	101 Å²	101	40.7 Å²	40.7	38%	0.381	21%	0.214	S	C	.	.			trans	-63.8	127.9	178.4	-165.3	-171.4	-87.1	-170.3	-21.9	109.5	S77 Y79 D99 F100	S77-R92 PolarHBondContact OG-NE 2.9Å; S77-R92 PolarHBondContact OG-NH2 2.76Å; Y79-R92 HydrophobicContact CE1-CB 3.87Å; Y79-R92 HydrophobicContact CE1-CG 4.41Å; Y79-R92 PolarHBondContact OH-NE 2.77Å; R92-D99 IonicContact CZ-OD2 3.88Å; R92-D99 IonicContact NE-OD1 3.31Å; R92-D99 IonicContact NE-OD2 2.66Å; R92-D99 IonicContact NH1-OD2 2.93Å; R92-D99 PolarHBondContact NH1-OD2 3.1Å; R92-D99 IonicContact NH2-OD2 3.01Å; R92-D99 PolarHBondContact NH2-OD2 2.91Å; R92-F100 HydrophobicContact CB-CE2 4.29Å; R92-F100 HydrophobicContact CB-CZ 4.43Å; R92-F100 HydrophobicContact CG-CE2 3.68Å; R92-F100 HydrophobicContact CG-CZ 4.18Å
93	L	87.7	Confident	82.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-91.2	132.9	178.2	-52	-178.8	0	0	0	110	I78 F87 T91 L95 T98 L118	I78-L93 HydrophobicContact CG2-CD1 4.32Å; I78-L93 PolarHBondContact O-N 2.9Å; F87-L93 HydrophobicContact CB-CD1 4.03Å; F87-L93 HydrophobicContact CB-CD2 3.82Å; F87-L93 HydrophobicContact CD1-CD1 3.92Å; F87-L93 HydrophobicContact CD1-CD2 3.95Å; F87-L93 HydrophobicContact CD1-CG 4.5Å; F87-L93 HydrophobicContact CD2-CD1 3.97Å; F87-L93 HydrophobicContact CE1-CD1 4.37Å; F87-L93 HydrophobicContact CE2-CD1 4.39Å; F87-L93 HydrophobicContact CG-CD1 3.7Å; F87-L93 HydrophobicContact CG-CD2 4.07Å; T91-L93 PolarHBondContact O-N 3.35Å; L93-L95 HydrophobicContact CB-CG 4.47Å; L93-T98 PolarHBondContact O-OG1 3.22Å; L93-L118 HydrophobicContact CD1-CD1 4.27Å
94	C	78.1	Confident	81.4	Confident	15 Å²	15	49.9 Å²	49.9	10%	0.101	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-98.8	82	175.7	178.7	0	0	0	0	110.1	T98 F100 H101 T128 L129	C94-T98 WeakPolarHBondContact CA-OG1 3.36Å; C94-F100 VanDerWaalsContact CA-CD2 3.43Å; C94-F100 HydrophobicContact CB-CB 3.99Å; C94-F100 HydrophobicContact CB-CD1 4.23Å; C94-F100 HydrophobicContact CB-CD2 3.39Å; C94-F100 HydrophobicContact CB-CE2 3.75Å; C94-F100 HydrophobicContact CB-CG 3.62Å; C94-F100 HydrophobicContact CB-CZ 4.34Å; C94-F100 WeakPolarHBondContact SG-CB 2.79Å; C94-F100 WeakPolarHBondContact SG-CG 3.34Å; C94-H101 PolarHBondContact SG-NE2 2.99Å; C94-H101 VanDerWaalsContact SG-NE2 3.35Å; C94-T128 WeakPolarHBondContact O-CG2 3.06Å; C94-L129 HydrophobicContact CB-CB 3.31Å; C94-L129 HydrophobicContact CB-CD2 3.93Å; C94-L129 HydrophobicContact CB-CG 4.23Å; C94-L129 PolarHBondContact N-O 3.13Å; C94-L129 VanDerWaalsContact N-O 3.16Å
95	L	75.9	Confident	80.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.267	C	S	.	.			trans	-92.7	159.9	170.5	-42.2	179.3	0	0	0	109	I78 F87 L93 I97 T98 H101 L118 F121 T128	I78-L95 HydrophobicContact CD1-CD1 4.33Å; F87-L95 HydrophobicContact CE1-CD2 4.32Å; L93-L95 HydrophobicContact CB-CG 4.47Å; L95-I97 HydrophobicContact CB-CG1 3.78Å; L95-I97 HydrophobicContact CD1-CD1 4.3Å; L95-I97 HydrophobicContact CD1-CG1 4.33Å; L95-I97 PolarHBondContact O-N 3.48Å; L95-T98 HydrophobicContact CB-CG2 3.8Å; L95-T98 HydrophobicContact CG-CG2 4.11Å; L95-T98 PolarHBondContact N-OG1 2.86Å; L95-T98 WeakPolarHBondContact O-CB 3.4Å; L95-T98 PolarHBondContact O-N 3.26Å; L95-T98 PolarHBondContact O-OG1 2.86Å; L95-H101 PolarHBondContact O-CD2 3.34Å; L95-L118 HydrophobicContact CD1-CB 4.24Å; L95-L118 HydrophobicContact CD1-CD1 3.69Å; L95-F121 HydrophobicContact CB-CD2 3.93Å; L95-F121 HydrophobicContact CB-CE2 3.97Å; L95-F121 HydrophobicContact CD1-CB 4.19Å; L95-F121 HydrophobicContact CD1-CD2 3.93Å; L95-F121 HydrophobicContact CD1-CG 4.28Å; L95-F121 HydrophobicContact CD2-CB 4.1Å; L95-F121 HydrophobicContact CD2-CD1 4.44Å; L95-F121 HydrophobicContact CD2-CD2 4.27Å; L95-F121 HydrophobicContact CD2-CG 4.03Å; L95-F121 HydrophobicContact CG-CD2 4.26Å; L95-T128 HydrophobicContact CD2-CG2 3.6Å
96	S	64.1	Low	80.5	Confident	54 Å²	54	54.2 Å²	54.2	38%	0.378	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-12.4	175.6	57.6	0	0	0	0	114.2	T104 F121	S96-T104 PolarHBondContact O-OG1 3.04Å; S96-F121 WeakPolarHBondContact OG-CE2 3.5Å; S96-F121 WeakPolarHBondContact OG-CZ 3.41Å
97	I	64.1	Low	80.3	Confident	16 Å²	16	55.8 Å²	55.8	8%	0.082	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	12	176.7	62	169.7	0	0	0	113.9	I78 L95 W105 W109 I114	I78-I97 HydrophobicContact CD1-CD1 4.31Å; I78-I97 HydrophobicContact CD1-CG1 4.47Å; L95-I97 HydrophobicContact CB-CG1 3.78Å; L95-I97 HydrophobicContact CD1-CD1 4.3Å; L95-I97 HydrophobicContact CD1-CG1 4.33Å; L95-I97 PolarHBondContact O-N 3.48Å; I97-W105 VanDerWaalsContact O-CZ3 3.27Å; I97-W105 WeakPolarHBondContact O-CZ3 3.5Å; I97-W109 HydrophobicContact CB-CZ3 4.2Å; I97-W109 HydrophobicContact CG2-CE3 4.27Å; I97-W109 HydrophobicContact CG2-CH2 4.17Å; I97-W109 HydrophobicContact CG2-CZ3 3.81Å; I97-I114 HydrophobicContact CD1-CG2 4.15Å; I97-I114 WeakPolarHBondContact CD1-O 3.29Å
98	T	63.5	Low	80.2	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-118.9	174.9	-173.1	67.5	0	0	0	0	113.5	I78 L93 C94 L95 F100 H101	I78-T98 HydrophobicContact CB-CG2 4.45Å; I78-T98 HydrophobicContact CD1-CG2 3.52Å; I78-T98 HydrophobicContact CG1-CG2 3.76Å; L93-T98 PolarHBondContact O-OG1 3.22Å; C94-T98 WeakPolarHBondContact CA-OG1 3.36Å; L95-T98 HydrophobicContact CB-CG2 3.8Å; L95-T98 HydrophobicContact CG-CG2 4.11Å; L95-T98 PolarHBondContact N-OG1 2.86Å; L95-T98 WeakPolarHBondContact O-CB 3.4Å; L95-T98 PolarHBondContact O-N 3.26Å; L95-T98 PolarHBondContact O-OG1 2.86Å; T98-F100 PolarHBondContact O-N 2.76Å; T98-H101 PolarHBondContact O-N 3.27Å
99	D	61.4	Low	80.1	Confident	46 Å²	46	56.8 Å²	56.8	25%	0.246	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-4.2	-176	67	-57.1	0	0	0	117.1	P75 S77 R92	P75-D99 HydrophobicContact CG-CB 3.73Å; P75-D99 VanDerWaalsContact CG-N 3.35Å; S77-D99 PolarHBondContact OG-OD1 3.46Å; S77-D99 PolarHBondContact OG-OD2 3.37Å; R92-D99 IonicContact CZ-OD2 3.88Å; R92-D99 IonicContact NE-OD1 3.31Å; R92-D99 IonicContact NE-OD2 2.66Å; R92-D99 IonicContact NH1-OD2 2.93Å; R92-D99 PolarHBondContact NH1-OD2 3.1Å; R92-D99 IonicContact NH2-OD2 3.01Å; R92-D99 PolarHBondContact NH2-OD2 2.91Å
100	F	59.4	Low	80.1	Confident	81 Å²	81	55.4 Å²	55.4	36%	0.355	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-16.6	170.4	-67.7	-87.5	0	0	0	114.1	R92 C94 T98 P102 L129	R92-F100 HydrophobicContact CB-CE2 4.29Å; R92-F100 HydrophobicContact CB-CZ 4.43Å; R92-F100 HydrophobicContact CG-CE2 3.68Å; R92-F100 HydrophobicContact CG-CZ 4.18Å; C94-F100 VanDerWaalsContact CA-CD2 3.43Å; C94-F100 HydrophobicContact CB-CB 3.99Å; C94-F100 HydrophobicContact CB-CD1 4.23Å; C94-F100 HydrophobicContact CB-CD2 3.39Å; C94-F100 HydrophobicContact CB-CE2 3.75Å; C94-F100 HydrophobicContact CB-CG 3.62Å; C94-F100 HydrophobicContact CB-CZ 4.34Å; C94-F100 WeakPolarHBondContact SG-CB 2.79Å; C94-F100 WeakPolarHBondContact SG-CG 3.34Å; T98-F100 PolarHBondContact O-N 2.76Å; F100-P102 VanDerWaalsContact C-CD 3.46Å; F100-P102 WeakPolarHBondContact O-CD 3.48Å; F100-L129 HydrophobicContact CD1-CD2 4.32Å; F100-L129 HydrophobicContact CE1-CD2 3.73Å; F100-L129 HydrophobicContact CZ-CD2 3.85Å
101	H	72.1	Confident	80.2	Confident	80 Å²	80	50.3 Å²	50.3	37%	0.37	28%	0.276	S	S	.	.			trans	-126.1	66	179.5	-59.7	-76.9	0	0	0	111.5	C94 L95 T98 D103 T104 W105	C94-H101 PolarHBondContact SG-NE2 2.99Å; C94-H101 VanDerWaalsContact SG-NE2 3.35Å; L95-H101 PolarHBondContact O-CD2 3.34Å; T98-H101 PolarHBondContact O-N 3.27Å; H101-D103 PolarHBondContact O-N 3.17Å; H101-T104 WeakPolarHBondContact CB-OG1 3.18Å; H101-T104 PolarHBondContact O-N 2.79Å; H101-T104 PolarHBondContact O-OG1 2.76Å; H101-W105 PolarHBondContact O-N 3.1Å
102	P	65.6	Low	80.4	Confident	83 Å²	83	48.6 Å²	48.6	54%	0.539	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-60.5	-28.6	-178	26	-34.8	0	0	0	112.9	F100 T104 W105	F100-P102 VanDerWaalsContact C-CD 3.46Å; F100-P102 WeakPolarHBondContact O-CD 3.48Å; P102-T104 VanDerWaalsContact C-N 3.34Å; P102-T104 PolarHBondContact O-N 3.16Å; P102-W105 WeakPolarHBondContact O-CB 3.49Å; P102-W105 PolarHBondContact O-N 3.01Å
103	D	73.7	Confident	80.7	Confident	160 Å²	160	46.8 Å²	46.8	86%	0.856	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-74.3	-23.6	-178.9	-58	-34.8	0	0	0	113.3	H101	H101-D103 PolarHBondContact O-N 3.17Å
104	T	79.1	Confident	81.1	Confident	79 Å²	79	46.9 Å²	46.9	49%	0.485	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-98.9	-2.8	176.5	62.7	0	0	0	0	112.7	S96 H101 P102 W109	S96-T104 PolarHBondContact O-OG1 3.04Å; H101-T104 WeakPolarHBondContact CB-OG1 3.18Å; H101-T104 PolarHBondContact O-N 2.79Å; H101-T104 PolarHBondContact O-OG1 2.76Å; P102-T104 VanDerWaalsContact C-N 3.34Å; P102-T104 PolarHBondContact O-N 3.16Å; T104-W109 VanDerWaalsContact O-CH2 3.25Å; T104-W109 WeakPolarHBondContact O-CH2 3.28Å
105	W	88.3	Confident	82.1	Confident	21 Å²	21	46.2 Å²	46.2	8%	0.08	26%	0.262	C	S	.	.			trans	-72	131	179.6	173.7	-109.8	0	0	0	111.2	F71 P72 P75 I97 H101 P102 W109 I114	F71-W105 HydrophobicContact CD2-CZ2 4.37Å; F71-W105 HydrophobicContact CE2-CH2 4.16Å; F71-W105 AromaticContact CE2-CZ2 3.88Å; F71-W105 HydrophobicContact CE2-CZ2 3.88Å; P72-W105 PolarHBondContact O-NE1 3.48Å; P75-W105 HydrophobicContact CB-CD2 3.56Å; P75-W105 HydrophobicContact CB-CE3 3.49Å; P75-W105 VanDerWaalsContact CB-CE3 3.49Å; P75-W105 HydrophobicContact CB-CG 4.1Å; P75-W105 HydrophobicContact CB-CH2 4.11Å; P75-W105 HydrophobicContact CB-CZ2 4.22Å; P75-W105 HydrophobicContact CB-CZ3 3.75Å; P75-W105 HydrophobicContact CG-CB 4.47Å; P75-W105 HydrophobicContact CG-CD2 4.18Å; P75-W105 HydrophobicContact CG-CE3 4.41Å; P75-W105 HydrophobicContact CG-CG 4.19Å; I97-W105 VanDerWaalsContact O-CZ3 3.27Å; I97-W105 WeakPolarHBondContact O-CZ3 3.5Å; H101-W105 PolarHBondContact O-N 3.1Å; P102-W105 WeakPolarHBondContact O-CB 3.49Å; P102-W105 PolarHBondContact O-N 3.01Å; W105-W109 HydrophobicContact CD2-CE3 4.32Å; W105-W109 AromaticContact CE3-CE3 3.51Å; W105-W109 HydrophobicContact CE3-CE3 3.51Å; W105-W109 AromaticContact CE3-CZ3 3.79Å; W105-W109 HydrophobicContact CE3-CZ3 3.79Å; W105-W109 HydrophobicContact CH2-CB 4.46Å; W105-W109 HydrophobicContact CH2-CE3 4.5Å; W105-W109 AromaticContact CZ3-CE3 3.65Å; W105-W109 HydrophobicContact CZ3-CE3 3.65Å; W105-W109 HydrophobicContact CZ3-CZ3 4.3Å; W105-I114 HydrophobicContact CH2-CD1 3.69Å; W105-I114 HydrophobicContact CH2-CG1 4.09Å; W105-I114 HydrophobicContact CZ3-CD1 4.27Å; W105-I114 HydrophobicContact CZ3-CG1 4.23Å
106	N	89.7	Confident	83.1	Confident	72 Å²	72	49 Å²	49	39%	0.385	28%	0.28	S	S	.	.			trans	-107.3	112.6	171.9	-174.8	-13.4	0	0	0	110.3	A108 W109	N106-A108 PolarHBondContact O-N 3.46Å; N106-A108 VanDerWaalsContact OD1-CB 3.23Å; N106-A108 WeakPolarHBondContact OD1-CB 3.42Å; N106-A108 PolarHBondContact OD1-N 3.47Å; N106-W109 HydrophobicContact CB-CD2 3.67Å; N106-W109 HydrophobicContact CB-CE3 4.08Å; N106-W109 HydrophobicContact CB-CG 4.05Å; N106-W109 HydrophobicContact CB-CH2 4.28Å; N106-W109 HydrophobicContact CB-CZ2 3.9Å; N106-W109 HydrophobicContact CB-CZ3 4.36Å; N106-W109 WeakPolarHBondContact O-CB 3.37Å; N106-W109 PolarHBondContact O-N 3.06Å
107	P	92.4	Very high	84.5	Confident	47 Å²	47	47.3 Å²	47.3	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.8	177	-27.1	35.8	0	0	0	114.8	R16 P72 F73 W109	R16-P107 PolarHBondContact NH1-O 3.5Å; P72-P107 HydrophobicContact CB-CB 4.38Å; P72-P107 WeakPolarHBondContact CB-O 3.3Å; P72-P107 HydrophobicContact CG-CB 4.49Å; P72-P107 VanDerWaalsContact O-CA 3.32Å; P72-P107 WeakPolarHBondContact O-CA 3.21Å; P72-P107 VanDerWaalsContact O-CB 3.3Å; P72-P107 WeakPolarHBondContact O-CB 3.39Å; F73-P107 HydrophobicContact CD1-CB 4.36Å; F73-P107 HydrophobicContact CD1-CG 4.31Å; P107-W109 VanDerWaalsContact C-N 3.32Å
108	A	93.4	Very high	86	Confident	74 Å²	74	46.5 Å²	46.5	61%	0.612	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.9	175	0	0	0	0	0	113.5	N106 S110	N106-A108 PolarHBondContact O-N 3.46Å; N106-A108 VanDerWaalsContact OD1-CB 3.23Å; N106-A108 WeakPolarHBondContact OD1-CB 3.42Å; N106-A108 PolarHBondContact OD1-N 3.47Å; A108-S110 PolarHBondContact O-N 2.96Å
109	W	95.4	Very high	87.6	Confident	70 Å²	70	47.4 Å²	47.4	27%	0.265	27%	0.271	S	S	.	.			trans	-65.3	128.2	179	-69.6	-23.6	0	0	0	111.3	R16 I97 T104 W105 N106 P107 T113	R16-W109 PolarHBondContact NH2-O 3.49Å; I97-W109 HydrophobicContact CB-CZ3 4.2Å; I97-W109 HydrophobicContact CG2-CE3 4.27Å; I97-W109 HydrophobicContact CG2-CH2 4.17Å; I97-W109 HydrophobicContact CG2-CZ3 3.81Å; T104-W109 VanDerWaalsContact O-CH2 3.25Å; T104-W109 WeakPolarHBondContact O-CH2 3.28Å; W105-W109 HydrophobicContact CD2-CE3 4.32Å; W105-W109 AromaticContact CE3-CE3 3.51Å; W105-W109 HydrophobicContact CE3-CE3 3.51Å; W105-W109 AromaticContact CE3-CZ3 3.79Å; W105-W109 HydrophobicContact CE3-CZ3 3.79Å; W105-W109 HydrophobicContact CH2-CB 4.46Å; W105-W109 HydrophobicContact CH2-CE3 4.5Å; W105-W109 AromaticContact CZ3-CE3 3.65Å; W105-W109 HydrophobicContact CZ3-CE3 3.65Å; W105-W109 HydrophobicContact CZ3-CZ3 4.3Å; N106-W109 HydrophobicContact CB-CD2 3.67Å; N106-W109 HydrophobicContact CB-CE3 4.08Å; N106-W109 HydrophobicContact CB-CG 4.05Å; N106-W109 HydrophobicContact CB-CH2 4.28Å; N106-W109 HydrophobicContact CB-CZ2 3.9Å; N106-W109 HydrophobicContact CB-CZ3 4.36Å; N106-W109 WeakPolarHBondContact O-CB 3.37Å; N106-W109 PolarHBondContact O-N 3.06Å; P107-W109 VanDerWaalsContact C-N 3.32Å; W109-T113 HydrophobicContact CB-CG2 4.19Å; W109-T113 HydrophobicContact CG-CG2 3.96Å
110	S	97.4	Very high	89.2	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.063	28%	0.277	C	S	.	.			trans	-85.2	164.9	179	70.1	0	0	0	0	111.9	D20 R23 A108 S112 T113 I114	D20-S110 VanDerWaalsContact OD2-CA 3.29Å; D20-S110 WeakPolarHBondContact OD2-CA 3.29Å; R23-S110 VanDerWaalsContact NH1-CB 3.26Å; A108-S110 PolarHBondContact O-N 2.96Å; S110-S112 PolarHBondContact O-N 3.01Å; S110-S112 PolarHBondContact OG-N 2.75Å; S110-T113 PolarHBondContact N-OG1 3.12Å; S110-T113 WeakPolarHBondContact O-CA 3.38Å; S110-T113 WeakPolarHBondContact O-CB 3.39Å; S110-T113 PolarHBondContact O-N 3.33Å; S110-T113 PolarHBondContact OG-N 3.1Å; S110-T113 PolarHBondContact OG-OG1 3.32Å; S110-I114 VanDerWaalsContact O-CG1 3.32Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.01Å
111	V	98.1	Very high	90.7	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-50.4	-42.6	169.5	177.8	0	0	0	0	111.8	L17 D20 W44 L65 F67 T113 I114 L115	L17-V111 HydrophobicContact CD2-CG2 4.06Å; D20-V111 HydrophobicContact CB-CB 4.25Å; D20-V111 HydrophobicContact CB-CG2 3.81Å; D20-V111 PolarHBondContact OD2-N 3.19Å; D20-V111 VanDerWaalsContact OD2-N 3.08Å; W44-V111 HydrophobicContact CE3-CG1 3.88Å; W44-V111 HydrophobicContact CH2-CG2 4.16Å; W44-V111 HydrophobicContact CZ3-CB 4.25Å; W44-V111 HydrophobicContact CZ3-CG1 3.8Å; W44-V111 HydrophobicContact CZ3-CG2 4.21Å; L65-V111 HydrophobicContact CD1-CG1 3.92Å; F67-V111 HydrophobicContact CE1-CG2 4.19Å; F67-V111 HydrophobicContact CZ-CG2 3.76Å; V111-T113 PolarHBondContact O-N 3.41Å; V111-I114 PolarHBondContact O-N 2.93Å; V111-L115 HydrophobicContact CG1-CD1 3.9Å; V111-L115 HydrophobicContact CG1-CG 4.36Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.37Å
112	S	97.9	Very high	91.8	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.084	25%	0.252	C	S	.	.	H	α-helix	trans	-57.1	-46.9	174.8	-53.3	0	0	0	0	112.1	I24 S110 I114 L115 T116	I24-S112 WeakPolarHBondContact CB-OG 3.42Å; I24-S112 WeakPolarHBondContact CG1-OG 3.37Å; S110-S112 PolarHBondContact O-N 3.01Å; S110-S112 PolarHBondContact OG-N 2.75Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 2.96Å; S112-L115 PolarHBondContact O-N 3.36Å; S112-T116 WeakPolarHBondContact O-CB 3.27Å; S112-T116 PolarHBondContact O-N 2.84Å; S112-T116 PolarHBondContact O-OG1 2.94Å
113	T	96.8	Very high	93.2	Very high	64 Å²	64	41.2 Å²	41.2	39%	0.393	24%	0.244	S	C	.	.	H	α-helix	trans	-62.3	-41.7	179	-47.3	0	0	0	0	111.9	W109 S110 V111 G117	W109-T113 HydrophobicContact CB-CG2 4.19Å; W109-T113 HydrophobicContact CG-CG2 3.96Å; S110-T113 PolarHBondContact N-OG1 3.12Å; S110-T113 WeakPolarHBondContact O-CA 3.38Å; S110-T113 WeakPolarHBondContact O-CB 3.39Å; S110-T113 PolarHBondContact O-N 3.33Å; S110-T113 PolarHBondContact OG-N 3.1Å; S110-T113 PolarHBondContact OG-OG1 3.32Å; V111-T113 PolarHBondContact O-N 3.41Å; T113-G117 PolarHBondContact O-N 2.53Å
114	I	96.8	Very high	94	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-47.9	179	-62.8	163.2	0	0	0	110.3	L65 F71 P76 I78 I97 W105 S110 V111 S112 G117 L118	L65-I114 HydrophobicContact CD2-CG2 4.26Å; F71-I114 HydrophobicContact CE2-CD1 4.45Å; P76-I114 HydrophobicContact CG-CD1 3.94Å; P76-I114 HydrophobicContact CG-CG2 4.38Å; I78-I114 HydrophobicContact CD1-CG2 3.8Å; I97-I114 HydrophobicContact CD1-CG2 4.15Å; I97-I114 WeakPolarHBondContact CD1-O 3.29Å; W105-I114 HydrophobicContact CH2-CD1 3.69Å; W105-I114 HydrophobicContact CH2-CG1 4.09Å; W105-I114 HydrophobicContact CZ3-CD1 4.27Å; W105-I114 HydrophobicContact CZ3-CG1 4.23Å; S110-I114 VanDerWaalsContact O-CG1 3.32Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.01Å; V111-I114 PolarHBondContact O-N 2.93Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 2.96Å; I114-G117 PolarHBondContact O-N 2.66Å; I114-L118 PolarHBondContact O-N 2.86Å
115	L	98.1	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-69.5	-37.2	-178.3	-66.8	174.1	0	0	0	112.4	I24 I32 A34 Y46 L65 V111 S112 G117 L118 L119	I24-L115 HydrophobicContact CD1-CD1 4.37Å; I32-L115 HydrophobicContact CD1-CB 3.96Å; I32-L115 WeakPolarHBondContact CD1-O 3.32Å; I32-L115 HydrophobicContact CG2-CB 3.9Å; I32-L115 HydrophobicContact CG2-CD1 3.65Å; I32-L115 HydrophobicContact CG2-CG 4.36Å; A34-L115 HydrophobicContact CB-CD1 3.62Å; Y46-L115 HydrophobicContact CD1-CD2 3.48Å; Y46-L115 VanDerWaalsContact CD1-CD2 3.48Å; Y46-L115 HydrophobicContact CD2-CD2 4.12Å; Y46-L115 HydrophobicContact CE1-CD2 3.99Å; Y46-L115 HydrophobicContact CG-CD2 3.53Å; L65-L115 HydrophobicContact CD1-CD2 3.92Å; L65-L115 HydrophobicContact CD1-CG 4.18Å; L65-L115 HydrophobicContact CD2-CD2 4.24Å; L65-L115 HydrophobicContact CG-CD2 4.24Å; V111-L115 HydrophobicContact CG1-CD1 3.9Å; V111-L115 HydrophobicContact CG1-CG 4.36Å; V111-L115 WeakPolarHBondContact O-CG 3.46Å; V111-L115 PolarHBondContact O-N 3.37Å; S112-L115 PolarHBondContact O-N 3.36Å; L115-G117 VanDerWaalsContact C-N 3.33Å; L115-L118 HydrophobicContact CD2-CD2 4.3Å; L115-L118 WeakPolarHBondContact O-CB 3.31Å; L115-L118 PolarHBondContact O-N 3.31Å; L115-L119 PolarHBondContact O-N 3.41Å
116	T	96.9	Very high	94.1	Very high	60 Å²	60	44 Å²	44	37%	0.368	25%	0.253	S	S	.	.	H	α-helix	trans	-60.8	-44.7	171.3	-61.1	0	0	0	0	110.9	S112 L118 L119 S120	S112-T116 WeakPolarHBondContact O-CB 3.27Å; S112-T116 PolarHBondContact O-N 2.84Å; S112-T116 PolarHBondContact O-OG1 2.94Å; T116-L118 PolarHBondContact O-N 3.49Å; T116-L119 PolarHBondContact O-N 3.17Å; T116-S120 PolarHBondContact O-N 3.31Å; T116-S120 PolarHBondContact O-OG 2.83Å
117	G	95.1	Very high	93.7	Very high	17 Å²	17	45.9 Å²	45.9	18%	0.175	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-41.5	175.9	0	0	0	0	0	113	T113 I114 L115 L119 S120 F121	T113-G117 PolarHBondContact O-N 2.53Å; I114-G117 PolarHBondContact O-N 2.66Å; L115-G117 VanDerWaalsContact C-N 3.33Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 2.95Å; G117-S120 WeakPolarHBondContact O-CB 3.38Å; G117-S120 PolarHBondContact O-N 2.86Å; G117-F121 VanDerWaalsContact O-CD2 3.3Å; G117-F121 WeakPolarHBondContact O-CD2 3.47Å; G117-F121 PolarHBondContact O-N 2.93Å
118	L	95.8	Very high	93.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-56.9	-46.2	172.9	168	67.2	0	0	0	111.7	Y46 I78 F87 L93 L95 I114 L115 T116 F121 M122	Y46-L118 HydrophobicContact CD2-CD2 4.39Å; Y46-L118 HydrophobicContact CE1-CD2 4.08Å; Y46-L118 HydrophobicContact CE2-CD2 3.55Å; Y46-L118 VanDerWaalsContact OH-CD2 3.23Å; Y46-L118 WeakPolarHBondContact OH-CD2 3.4Å; I78-L118 HydrophobicContact CG2-CD1 4.14Å; I78-L118 HydrophobicContact CG2-CD2 3.98Å; F87-L118 HydrophobicContact CE2-CD1 3.96Å; F87-L118 HydrophobicContact CZ-CD1 4.28Å; L93-L118 HydrophobicContact CD1-CD1 4.27Å; L95-L118 HydrophobicContact CD1-CB 4.24Å; L95-L118 HydrophobicContact CD1-CD1 3.69Å; I114-L118 PolarHBondContact O-N 2.86Å; L115-L118 HydrophobicContact CD2-CD2 4.3Å; L115-L118 WeakPolarHBondContact O-CB 3.31Å; L115-L118 PolarHBondContact O-N 3.31Å; T116-L118 PolarHBondContact O-N 3.49Å; L118-F121 PolarHBondContact O-N 2.89Å; L118-M122 WeakPolarHBondContact O-CB 3.48Å; L118-M122 PolarHBondContact O-N 2.96Å
119	L	96.8	Very high	92.3	Very high	18 Å²	18	46.6 Å²	46.6	9%	0.094	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-43.1	177.7	173.4	57.8	0	0	0	111.4	Y31 I32 V48 P51 L115 T116 G117 F121 M122 V123	Y31-L119 HydrophobicContact CD2-CD2 4.02Å; Y31-L119 HydrophobicContact CG-CD2 4.33Å; I32-L119 HydrophobicContact CD1-CB 4.29Å; I32-L119 HydrophobicContact CD1-CD2 4.25Å; V48-L119 HydrophobicContact CG1-CD1 3.7Å; P51-L119 HydrophobicContact CG-CD1 3.85Å; P51-L119 HydrophobicContact CG-CD2 4.36Å; L115-L119 PolarHBondContact O-N 3.41Å; T116-L119 PolarHBondContact O-N 3.17Å; G117-L119 VanDerWaalsContact C-N 3.34Å; G117-L119 PolarHBondContact O-N 2.95Å; L119-F121 PolarHBondContact O-N 2.76Å; L119-M122 WeakPolarHBondContact O-CB 3.48Å; L119-M122 PolarHBondContact O-N 3.35Å; L119-M122 VanDerWaalsContact O-N 3.09Å; L119-V123 HydrophobicContact CD1-CG1 4.14Å; L119-V123 PolarHBondContact O-N 3.28Å; L119-V123 VanDerWaalsContact O-N 3.13Å
120	S	93.9	Very high	91.7	Very high	54 Å²	54	44 Å²	44	38%	0.378	26%	0.256	S	S	.	.	H	α-helix	trans	-56.1	-48.7	174.1	-61.6	0	0	0	0	111.7	T116 G117 M122 V123 E124	T116-S120 PolarHBondContact O-N 3.31Å; T116-S120 PolarHBondContact O-OG 2.83Å; G117-S120 WeakPolarHBondContact O-CB 3.38Å; G117-S120 PolarHBondContact O-N 2.86Å; S120-M122 VanDerWaalsContact C-N 3.25Å; S120-M122 PolarHBondContact O-N 3.16Å; S120-V123 VanDerWaalsContact O-CG2 3.26Å; S120-V123 WeakPolarHBondContact O-CG2 3.44Å; S120-V123 PolarHBondContact O-N 2.94Å; S120-E124 VanDerWaalsContact O-CG 3.32Å; S120-E124 WeakPolarHBondContact O-CG 3.36Å; S120-E124 PolarHBondContact O-N 2.91Å
121	F	91.8	Very high	91.4	Very high	43 Å²	43	45 Å²	45	19%	0.189	26%	0.263	C	S	.	.	H	α-helix	trans	-63.9	-27.7	175.9	-84.6	-68.5	0	0	0	114.2	R86 F87 L95 S96 G117 L118 L119	R86-F121 PolarHBondContact NE-O 2.64Å; R86-F121 PolarHBondContact NH2-O 3.42Å; R86-F121 VanDerWaalsContact NH2-O 3.08Å; F87-F121 HydrophobicContact CZ-CB 4.46Å; L95-F121 HydrophobicContact CB-CD2 3.93Å; L95-F121 HydrophobicContact CB-CE2 3.97Å; L95-F121 HydrophobicContact CD1-CB 4.19Å; L95-F121 HydrophobicContact CD1-CD2 3.93Å; L95-F121 HydrophobicContact CD1-CG 4.28Å; L95-F121 HydrophobicContact CD2-CB 4.1Å; L95-F121 HydrophobicContact CD2-CD1 4.44Å; L95-F121 HydrophobicContact CD2-CD2 4.27Å; L95-F121 HydrophobicContact CD2-CG 4.03Å; L95-F121 HydrophobicContact CG-CD2 4.26Å; S96-F121 WeakPolarHBondContact OG-CE2 3.5Å; S96-F121 WeakPolarHBondContact OG-CZ 3.41Å; G117-F121 VanDerWaalsContact O-CD2 3.3Å; G117-F121 WeakPolarHBondContact O-CD2 3.47Å; G117-F121 PolarHBondContact O-N 2.93Å; L118-F121 PolarHBondContact O-N 2.89Å; L119-F121 PolarHBondContact O-N 2.76Å
122	M	95.1	Very high	91.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-70.1	-41	178.2	-172.4	169.1	175.4	0	0	111.6	V48 Y56 Y61 M80 N84 R86 F87 L118 L119 S120	V48-M122 HydrophobicContact CG1-SD 4.31Å; Y56-M122 HydrophobicContact CD1-CE 3.5Å; Y56-M122 VanDerWaalsContact CD1-CE 3.5Å; Y56-M122 HydrophobicContact CE1-CE 3.72Å; Y56-M122 HydrophobicContact CE1-CG 4.35Å; Y56-M122 HydrophobicContact CE2-CG 4.17Å; Y56-M122 WeakPolarHBondContact CE2-O 3.49Å; Y56-M122 HydrophobicContact CG-CE 3.93Å; Y56-M122 VanDerWaalsContact CZ-O 3.25Å; Y56-M122 PolarHBondContact OH-O 3.11Å; Y61-M122 HydrophobicContact CD1-CE 3.97Å; Y61-M122 HydrophobicContact CD2-CE 3.57Å; Y61-M122 HydrophobicContact CE1-CE 4.15Å; Y61-M122 HydrophobicContact CE2-CE 3.82Å; Y61-M122 HydrophobicContact CG-CE 3.66Å; M80-M122 HydrophobicContact CE-SD 4.07Å; N84-M122 HydrophobicContact CB-CE 4.23Å; R86-M122 HydrophobicContact CG-CG 4.35Å; F87-M122 HydrophobicContact CE2-CB 3.82Å; F87-M122 HydrophobicContact CE2-CG 3.95Å; F87-M122 HydrophobicContact CZ-CB 4.29Å; L118-M122 WeakPolarHBondContact O-CB 3.48Å; L118-M122 PolarHBondContact O-N 2.96Å; L119-M122 WeakPolarHBondContact O-CB 3.48Å; L119-M122 PolarHBondContact O-N 3.35Å; L119-M122 VanDerWaalsContact O-N 3.09Å; S120-M122 VanDerWaalsContact C-N 3.25Å; S120-M122 PolarHBondContact O-N 3.16Å
123	V	94.8	Very high	90.9	Very high	63 Å²	63	56.5 Å²	56.5	38%	0.382	32%	0.317	S	S	.	.	H	α-helix	trans	-82	-17.5	-179	-59.6	0	0	0	0	113.5	P51 T54 Y56 L119 S120	P51-V123 HydrophobicContact CG-CG1 4.37Å; T54-V123 HydrophobicContact CG2-CG1 4.07Å; Y56-V123 HydrophobicContact CD2-CG1 4.3Å; Y56-V123 HydrophobicContact CE2-CG1 4.43Å; L119-V123 HydrophobicContact CD1-CG1 4.14Å; L119-V123 PolarHBondContact O-N 3.28Å; L119-V123 VanDerWaalsContact O-N 3.13Å; S120-V123 VanDerWaalsContact O-CG2 3.26Å; S120-V123 WeakPolarHBondContact O-CG2 3.44Å; S120-V123 PolarHBondContact O-N 2.94Å
124	E	91.5	Very high	90.9	Very high	100 Å²	100	55.4 Å²	55.4	47%	0.467	31%	0.31	S	S	.	.	S	Bend	trans	-76.4	162.9	171.9	-73.4	173.2	-164.4	0	0	113.2	S120	S120-E124 VanDerWaalsContact O-CG 3.32Å; S120-E124 WeakPolarHBondContact O-CG 3.36Å; S120-E124 PolarHBondContact O-N 2.91Å
125	K	84.8	Confident	91	Very high	184 Å²	184	58.2 Å²	58.2	80%	0.8	33%	0.33	S	S	*	.			trans	-103	-3.8	179.5	-62.5	-174.1	179.6	-175.2	0	114.1
126	G	83.4	Confident	90.9	Very high	33 Å²	33	61.2 Å²	61.2	34%	0.34	35%	0.346	S	S	.	.			trans	-61.6	140.7	-176	0	0	0	0	0	112.6	R86 T128	R86-G126 VanDerWaalsContact CZ-O 3.3Å; R86-G126 PolarHBondContact NH1-O 3.34Å; R86-G126 PolarHBondContact NH2-O 3.09Å; G126-T128 PolarHBondContact O-OG1 3.27Å
127	P	81.3	Confident	91	Very high	113 Å²	113	66.1 Å²	66.1	73%	0.734	36%	0.359	S	S	*	.			trans	-66.6	142.9	174.6	29	-34.3	0	0	0	110.2
128	T	80.2	Confident	91.2	Very high	30 Å²	30	67.8 Å²	67.8	18%	0.184	37%	0.366	C	S	.	.			trans	-151.9	149.7	-179.5	-50.9	0	0	0	0	109.2	C94 L95 G126 G130 S131	C94-T128 WeakPolarHBondContact O-CG2 3.06Å; L95-T128 HydrophobicContact CD2-CG2 3.6Å; G126-T128 PolarHBondContact O-OG1 3.27Å; T128-G130 PolarHBondContact O-N 3.29Å; T128-S131 PolarHBondContact N-OG 3.19Å; T128-S131 VanDerWaalsContact N-OG 3.16Å; T128-S131 WeakPolarHBondContact O-CB 3.3Å; T128-S131 PolarHBondContact O-N 3.48Å; T128-S131 PolarHBondContact O-OG 3.08Å
129	L	76.1	Confident	91.3	Very high	106 Å²	106	68.9 Å²	68.9	56%	0.555	37%	0.371	S	S	*	.	B	Isolated β-bridge	trans	-62.1	132.8	-179.4	-165	68.4	0	0	0	110	C94 F100 S131	C94-L129 HydrophobicContact CB-CB 3.31Å; C94-L129 HydrophobicContact CB-CD2 3.93Å; C94-L129 HydrophobicContact CB-CG 4.23Å; C94-L129 PolarHBondContact N-O 3.13Å; C94-L129 VanDerWaalsContact N-O 3.16Å; F100-L129 HydrophobicContact CD1-CD2 4.32Å; F100-L129 HydrophobicContact CE1-CD2 3.73Å; F100-L129 HydrophobicContact CZ-CD2 3.85Å; L129-S131 VanDerWaalsContact C-N 3.26Å
130	G	82.8	Confident	91.4	Very high	15 Å²	15	73.7 Å²	73.7	16%	0.155	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-2.7	-173.6	0	0	0	0	0	113.4	F87 K88 T128	F87-G130 CarbonylContact C-O 3.54Å; F87-G130 WeakPolarHBondContact CA-O 3.32Å; K88-G130 WeakPolarHBondContact CB-O 3.36Å; K88-G130 PolarHBondContact N-O 2.69Å; T128-G130 PolarHBondContact O-N 3.29Å
131	S	90.6	Very high	91.6	Very high	31 Å²	31	75 Å²	75	22%	0.217	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-73.2	152.1	167.5	73.6	0	0	0	0	112.1	R86 T128 L129	R86-S131 CarbonylContact O-C 3.56Å; R86-S131 WeakPolarHBondContact O-CA 3.26Å; R86-S131 WeakPolarHBondContact O-CB 3.23Å; T128-S131 PolarHBondContact N-OG 3.19Å; T128-S131 VanDerWaalsContact N-OG 3.16Å; T128-S131 WeakPolarHBondContact O-CB 3.3Å; T128-S131 PolarHBondContact O-N 3.48Å; T128-S131 PolarHBondContact O-OG 3.08Å; L129-S131 VanDerWaalsContact C-N 3.26Å
132	I	94.1	Very high	91.9	Very high	66 Å²	66	74.3 Å²	74.3	34%	0.338	39%	0.386	S	S	.	.			trans	-124.7	156.9	169.9	58	173.9	0	0	0	108.9	R86 K88 T134	R86-I132 PolarHBondContact O-N 2.75Å; K88-I132 HydrophobicContact CB-CG2 3.98Å; I132-T134 HydrophobicContact CD1-CG2 4.11Å; I132-T134 HydrophobicContact CG1-CG2 4.4Å
133	E	93.6	Very high	92.1	Very high	186 Å²	186	74.6 Å²	74.6	87%	0.869	39%	0.388	S	S	*	.			trans	-106	120.1	175.2	-66.3	-174.5	177.2	0	0	109.8
134	T	96.4	Very high	92.2	Very high	42 Å²	42	76.2 Å²	76.2	26%	0.258	40%	0.398	S	S	.	.			trans	-135.7	160.5	171.7	76.6	0	0	0	0	110	G85 I132 T138 K139	G85-T134 WeakPolarHBondContact CA-OG1 3.29Å; G85-T134 PolarHBondContact O-OG1 2.84Å; I132-T134 HydrophobicContact CD1-CG2 4.11Å; I132-T134 HydrophobicContact CG1-CG2 4.4Å; T134-T138 HydrophobicContact CG2-CG2 4.38Å; T134-K139 PolarHBondContact O-NZ 3.5Å
135	S	97.4	Very high	92.5	Very high	60 Å²	60	76.6 Å²	76.6	42%	0.42	40%	0.4	S	S	.	.			trans	-63.6	155.9	172.8	76.3	0	0	0	0	111.9	Y137 T138 K139	S135-Y137 PolarHBondContact O-N 2.78Å; S135-Y137 PolarHBondContact OG-N 2.76Å; S135-T138 WeakPolarHBondContact O-CB 3.46Å; S135-T138 PolarHBondContact O-N 3.05Å; S135-T138 VanDerWaalsContact O-N 3.17Å; S135-T138 PolarHBondContact OG-N 3.16Å; S135-T138 PolarHBondContact OG-OG1 3.04Å; S135-K139 PolarHBondContact O-N 3.08Å; S135-K139 VanDerWaalsContact O-N 3.12Å
136	D	97.7	Very high	93.2	Very high	64 Å²	64	67.9 Å²	67.9	34%	0.342	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-29.3	172.6	-71.4	-6.8	0	0	0	111.6	P55 T138 K139 R140	P55-D136 HydrophobicContact CB-CB 4.16Å; P55-D136 HydrophobicContact CG-CB 4.1Å; D136-T138 VanDerWaalsContact C-N 3.35Å; D136-K139 PolarHBondContact O-N 2.79Å; D136-K139 IonicContact OD1-NZ 3.88Å; D136-K139 PolarHBondContact OD1-NZ 2.54Å; D136-R140 VanDerWaalsContact O-CG 3.31Å; D136-R140 WeakPolarHBondContact O-CG 3.35Å; D136-R140 PolarHBondContact O-N 2.8Å
137	Y	98.1	Very high	93.9	Very high	162 Å²	162	67.5 Å²	67.5	64%	0.635	35%	0.352	S	S	*	.	H	α-helix	trans	-57.7	-48.1	169.6	176.3	-96.1	0	0	0	111.1	S135 K139 R140 Q141	S135-Y137 PolarHBondContact O-N 2.78Å; S135-Y137 PolarHBondContact OG-N 2.76Å; Y137-K139 VanDerWaalsContact C-N 3.34Å; Y137-K139 PolarHBondContact O-N 3.39Å; Y137-R140 PolarHBondContact O-N 2.9Å; Y137-Q141 HydrophobicContact CD1-CG 4.41Å; Y137-Q141 HydrophobicContact CE1-CG 3.99Å; Y137-Q141 WeakPolarHBondContact O-CG 3.48Å; Y137-Q141 PolarHBondContact O-N 3.01Å
138	T	98.3	Very high	94.7	Very high	53 Å²	53	64.2 Å²	64.2	33%	0.325	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-44.3	175.8	-53.5	0	0	0	0	111.5	T134 S135 D136 R140 Q141 L142	T134-T138 HydrophobicContact CG2-CG2 4.38Å; S135-T138 WeakPolarHBondContact O-CB 3.46Å; S135-T138 PolarHBondContact O-N 3.05Å; S135-T138 VanDerWaalsContact O-N 3.17Å; S135-T138 PolarHBondContact OG-N 3.16Å; S135-T138 PolarHBondContact OG-OG1 3.04Å; D136-T138 VanDerWaalsContact C-N 3.35Å; T138-R140 VanDerWaalsContact C-N 3.34Å; T138-R140 PolarHBondContact O-N 3.02Å; T138-Q141 PolarHBondContact O-N 2.86Å; T138-L142 HydrophobicContact CG2-CD1 4.1Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.5Å; T138-L142 PolarHBondContact O-N 3.04Å
139	K	98.5	Very high	95.5	Very high	22 Å²	22	66.8 Å²	66.8	10%	0.096	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-40.9	178.8	-63	-176.7	-168.4	82.4	0	112.1	P55 Y56 T134 S135 D136 Y137 L142 S143	P55-K139 HydrophobicContact CB-CB 3.77Å; P55-K139 HydrophobicContact CB-CD 3.84Å; P55-K139 HydrophobicContact CB-CG 4.44Å; P55-K139 HydrophobicContact CG-CD 4.4Å; P55-K139 CarbonylContact O-C 3.47Å; Y56-K139 HydrophobicContact CE1-CD 3.72Å; Y56-K139 HydrophobicContact CE1-CG 4.35Å; T134-K139 PolarHBondContact O-NZ 3.5Å; S135-K139 PolarHBondContact O-N 3.08Å; S135-K139 VanDerWaalsContact O-N 3.12Å; D136-K139 PolarHBondContact O-N 2.79Å; D136-K139 IonicContact OD1-NZ 3.88Å; D136-K139 PolarHBondContact OD1-NZ 2.54Å; Y137-K139 VanDerWaalsContact C-N 3.34Å; Y137-K139 PolarHBondContact O-N 3.39Å; K139-L142 CarbonylContact O-C 3.43Å; K139-L142 PolarHBondContact O-N 3.33Å; K139-S143 PolarHBondContact O-N 3.23Å
140	R	98.5	Very high	96.6	Very high	119 Å²	119	61.7 Å²	61.7	45%	0.449	32%	0.316	S	S	.	.	H	α-helix	trans	-65.6	-37.4	175.6	-68.6	175.2	-170	-71.8	0.1	112.7	P55 D136 Y137 T138 S143 V144	P55-R140 PolarHBondContact O-N 2.87Å; D136-R140 VanDerWaalsContact O-CG 3.31Å; D136-R140 WeakPolarHBondContact O-CG 3.35Å; D136-R140 PolarHBondContact O-N 2.8Å; Y137-R140 PolarHBondContact O-N 2.9Å; T138-R140 VanDerWaalsContact C-N 3.34Å; T138-R140 PolarHBondContact O-N 3.02Å; R140-S143 PolarHBondContact O-N 3.44Å; R140-S143 PolarHBondContact O-OG 2.91Å; R140-V144 PolarHBondContact O-N 3.19Å
141	Q	98.4	Very high	97.4	Very high	82 Å²	82	63.2 Å²	63.2	38%	0.383	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-43.1	172.6	-66.9	-57.9	-49.2	0	0	111.2	Y137 T138 S143 V144 Q145	Y137-Q141 HydrophobicContact CD1-CG 4.41Å; Y137-Q141 HydrophobicContact CE1-CG 3.99Å; Y137-Q141 WeakPolarHBondContact O-CG 3.48Å; Y137-Q141 PolarHBondContact O-N 3.01Å; T138-Q141 PolarHBondContact O-N 2.86Å; Q141-S143 VanDerWaalsContact C-N 3.32Å; Q141-S143 PolarHBondContact O-N 2.91Å; Q141-V144 PolarHBondContact O-N 2.88Å; Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.48Å; Q141-Q145 PolarHBondContact O-N 3.03Å
142	L	98.6	Very high	97.7	Very high	28 Å²	28	70.1 Å²	70.1	15%	0.147	35%	0.347	C	S	.	.	H	α-helix	trans	-65.8	-33.4	176.8	-67.4	173.4	0	0	0	112.4	P83 G85 T138 K139 V144 Q145 S146	P83-L142 HydrophobicContact CB-CD2 3.88Å; G85-L142 VanDerWaalsContact N-CD1 3.33Å; T138-L142 HydrophobicContact CG2-CD1 4.1Å; T138-L142 HydrophobicContact CG2-CG 4.47Å; T138-L142 WeakPolarHBondContact O-CG 3.5Å; T138-L142 PolarHBondContact O-N 3.04Å; K139-L142 CarbonylContact O-C 3.43Å; K139-L142 PolarHBondContact O-N 3.33Å; L142-V144 VanDerWaalsContact C-N 3.34Å; L142-V144 PolarHBondContact O-N 3.01Å; L142-Q145 PolarHBondContact O-N 3.02Å; L142-S146 WeakPolarHBondContact O-CB 3.42Å; L142-S146 PolarHBondContact O-N 2.96Å
143	S	98.3	Very high	97.9	Very high	7 Å²	7	69 Å²	69	5%	0.049	34%	0.341	C	S	.	.	H	α-helix	trans	-62.2	-42.2	176.2	83.3	0	0	0	0	111.2	E57 G59 Y61 K139 R140 Q141 S146	E57-S143 PolarHBondContact O-OG 3.49Å; E57-S143 VanDerWaalsContact O-OG 3.1Å; G59-S143 WeakPolarHBondContact CA-O 3.22Å; Y61-S143 WeakPolarHBondContact OH-CB 3.26Å; K139-S143 PolarHBondContact O-N 3.23Å; R140-S143 PolarHBondContact O-N 3.44Å; R140-S143 PolarHBondContact O-OG 2.91Å; Q141-S143 VanDerWaalsContact C-N 3.32Å; Q141-S143 PolarHBondContact O-N 2.91Å; S143-S146 WeakPolarHBondContact O-CB 3.37Å; S143-S146 PolarHBondContact O-N 2.86Å; S143-S146 PolarHBondContact O-OG 3.33Å
144	V	97.6	Very high	98.1	Very high	97 Å²	97	67.9 Å²	67.9	59%	0.588	33%	0.334	S	S	*	.	H	α-helix	trans	-66.6	-45.5	174	178.8	0	0	0	0	111.4	R140 Q141 L142 S146 L147	R140-V144 PolarHBondContact O-N 3.19Å; Q141-V144 PolarHBondContact O-N 2.88Å; L142-V144 VanDerWaalsContact C-N 3.34Å; L142-V144 PolarHBondContact O-N 3.01Å; V144-S146 PolarHBondContact O-N 2.87Å; V144-L147 PolarHBondContact O-N 3.02Å
145	Q	98.2	Very high	98.2	Very high	109 Å²	109	68.4 Å²	68.4	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-65.3	-26.5	-179.4	-69.5	172.6	12.8	0	0	113	Q141 L142 L147 A148 F149	Q141-Q145 VanDerWaalsContact O-CG 3.29Å; Q141-Q145 WeakPolarHBondContact O-CG 3.48Å; Q141-Q145 PolarHBondContact O-N 3.03Å; L142-Q145 PolarHBondContact O-N 3.02Å; Q145-L147 PolarHBondContact O-N 2.66Å; Q145-A148 PolarHBondContact O-N 3.45Å; Q145-F149 WeakPolarHBondContact O-CB 3.32Å; Q145-F149 PolarHBondContact O-N 3.18Å
146	S	98.7	Very high	98.3	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.007	32%	0.317	C	S	.	.	H	α-helix	trans	-56.8	-34.4	-179.3	76	0	0	0	0	113.2	G59 Y60 L142 S143 V144 F149 N150	G59-S146 WeakPolarHBondContact CA-OG 3.4Å; Y60-S146 PolarHBondContact N-OG 3.3Å; Y60-S146 WeakPolarHBondContact O-CB 3.39Å; Y60-S146 PolarHBondContact O-OG 2.93Å; L142-S146 WeakPolarHBondContact O-CB 3.42Å; L142-S146 PolarHBondContact O-N 2.96Å; S143-S146 WeakPolarHBondContact O-CB 3.37Å; S143-S146 PolarHBondContact O-N 2.86Å; S143-S146 PolarHBondContact O-OG 3.33Å; V144-S146 PolarHBondContact O-N 2.87Å; S146-F149 PolarHBondContact O-N 3.25Å; S146-N150 WeakPolarHBondContact O-CB 3.29Å; S146-N150 PolarHBondContact O-N 3.08Å; S146-N150 PolarHBondContact O-ND2 3.48Å
147	L	98.1	Very high	98.3	Very high	24 Å²	24	64.5 Å²	64.5	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-59.1	-58.2	179.6	-58.1	170.3	0	0	0	110.6	Y60 V144 Q145 F149 N150 L151 I167 Q171	Y60-L147 HydrophobicContact CD2-CD2 3.41Å; Y60-L147 VanDerWaalsContact CD2-CD2 3.41Å; Y60-L147 HydrophobicContact CE2-CD2 3.61Å; V144-L147 PolarHBondContact O-N 3.02Å; Q145-L147 PolarHBondContact O-N 2.66Å; L147-F149 VanDerWaalsContact C-N 3.3Å; L147-F149 PolarHBondContact O-N 3.33Å; L147-N150 PolarHBondContact O-N 3.18Å; L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 2.8Å; L147-L151 VanDerWaalsContact O-N 3.16Å; L147-I167 HydrophobicContact CB-CG2 3.94Å; L147-I167 HydrophobicContact CD2-CB 4.31Å; L147-I167 HydrophobicContact CD2-CD1 4.4Å; L147-I167 HydrophobicContact CD2-CG1 3.86Å; L147-I167 HydrophobicContact CD2-CG2 3.8Å; L147-I167 HydrophobicContact CG-CG2 4.43Å; L147-Q171 HydrophobicContact CD1-CG 4.41Å
148	A	97.8	Very high	98.3	Very high	44 Å²	44	63.9 Å²	63.9	36%	0.364	32%	0.317	S	S	.	.	H	α-helix	trans	-68.4	-30.8	-179.6	0	0	0	0	0	112.4	Q145 K152	Q145-A148 PolarHBondContact O-N 3.45Å; A148-K152 WeakPolarHBondContact O-CD 3.49Å; A148-K152 WeakPolarHBondContact O-CG 3.43Å
149	F	98.6	Very high	98.3	Very high	84 Å²	84	62.4 Å²	62.4	37%	0.368	31%	0.307	S	S	.	.	H	α-helix	trans	-63.1	-52.2	174.9	-178.7	-86.8	0	0	0	111	I81 T82 P83 Q145 S146 L147 L151 K152	I81-F149 HydrophobicContact CG2-CE1 4.35Å; T82-F149 HydrophobicContact CG2-CD1 3.91Å; T82-F149 HydrophobicContact CG2-CE1 4.44Å; P83-F149 HydrophobicContact CG-CD2 4.28Å; P83-F149 HydrophobicContact CG-CE2 4.08Å; P83-F149 HydrophobicContact CG-CZ 4.41Å; Q145-F149 WeakPolarHBondContact O-CB 3.32Å; Q145-F149 PolarHBondContact O-N 3.18Å; S146-F149 PolarHBondContact O-N 3.25Å; L147-F149 VanDerWaalsContact C-N 3.3Å; L147-F149 PolarHBondContact O-N 3.33Å; F149-L151 PolarHBondContact O-N 3.19Å; F149-K152 PolarHBondContact O-N 2.78Å
150	N	98.6	Very high	98.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-68	-36.3	-175.7	-64.9	-20.4	0	0	0	112.3	Y60 T82 S146 L147 K152 D153 F156	Y60-N150 WeakPolarHBondContact CB-ND2 3.44Å; Y60-N150 PolarHBondContact O-ND2 3.39Å; T82-N150 WeakPolarHBondContact CG2-OD1 3.49Å; T82-N150 PolarHBondContact OG1-OD1 3.36Å; S146-N150 WeakPolarHBondContact O-CB 3.29Å; S146-N150 PolarHBondContact O-N 3.08Å; S146-N150 PolarHBondContact O-ND2 3.48Å; L147-N150 PolarHBondContact O-N 3.18Å; N150-K152 PolarHBondContact O-N 3.26Å; N150-D153 PolarHBondContact O-N 3.26Å; N150-F156 HydrophobicContact CB-CD1 3.74Å; N150-F156 HydrophobicContact CB-CD2 3.99Å; N150-F156 HydrophobicContact CB-CE1 3.66Å; N150-F156 HydrophobicContact CB-CE2 3.87Å; N150-F156 HydrophobicContact CB-CG 3.91Å; N150-F156 HydrophobicContact CB-CZ 3.72Å; N150-F156 VanDerWaalsContact O-CD1 3.29Å; N150-F156 WeakPolarHBondContact O-CD1 3.24Å
151	L	98.3	Very high	98.3	Very high	46 Å²	46	59.1 Å²	59.1	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-17.3	176.5	-69.9	-178.3	0	0	0	114.1	L147 F149 C157 V164 I167 K168	L147-L151 WeakPolarHBondContact O-CG 3.41Å; L147-L151 PolarHBondContact O-N 2.8Å; L147-L151 VanDerWaalsContact O-N 3.16Å; F149-L151 PolarHBondContact O-N 3.19Å; L151-C157 PolarHBondContact O-SG 3.08Å; L151-V164 HydrophobicContact CD2-CB 4.26Å; L151-V164 HydrophobicContact CD2-CG1 3.73Å; L151-V164 HydrophobicContact CD2-CG2 4.17Å; L151-I167 HydrophobicContact CD1-CG2 3.79Å; L151-I167 HydrophobicContact CD2-CG2 4.14Å; L151-I167 HydrophobicContact CG-CG2 3.93Å; L151-K168 HydrophobicContact CD1-CG 4.49Å
152	K	98.4	Very high	98.3	Very high	176 Å²	176	61.1 Å²	61.1	77%	0.765	32%	0.316	S	S	*	.	H	α-helix	trans	-87	-18.1	174.2	-69	171.1	-176	179.4	0	112.6	A148 F149 N150	A148-K152 WeakPolarHBondContact O-CD 3.49Å; A148-K152 WeakPolarHBondContact O-CG 3.43Å; F149-K152 PolarHBondContact O-N 2.78Å; N150-K152 PolarHBondContact O-N 3.26Å
153	D	98.1	Very high	98.2	Very high	42 Å²	42	60 Å²	60	23%	0.225	31%	0.31	C	S	.	.			trans	-84.4	116.6	178.6	-172.7	-27.7	0	0	0	109.9	H62 N150 V155 F156 C157	H62-D153 IonicContact CE1-OD2 3.84Å; H62-D153 IonicContact ND1-OD2 3.77Å; N150-D153 PolarHBondContact O-N 3.26Å; D153-V155 PolarHBondContact O-N 3.43Å; D153-V155 WeakPolarHBondContact OD1-CB 3.47Å; D153-V155 PolarHBondContact OD1-N 3.38Å; D153-F156 HydrophobicContact CB-CB 3.88Å; D153-F156 PolarHBondContact O-N 3.01Å; D153-F156 PolarHBondContact OD1-N 3.45Å; D153-C157 PolarHBondContact O-N 3.04Å; D153-C157 PolarHBondContact O-SG 2.96Å
154	K	97.9	Very high	98.2	Very high	163 Å²	163	60.2 Å²	60.2	71%	0.709	31%	0.311	S	S	*	.	H	α-helix	trans	-64.5	-39.1	180	-66.8	-173.6	178.1	-174.9	0	112.2	F156 C157 E158	K154-F156 VanDerWaalsContact C-N 3.32Å; K154-F156 PolarHBondContact O-N 3.47Å; K154-C157 PolarHBondContact O-N 3.24Å; K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 VanDerWaalsContact O-CG 3.3Å; K154-E158 WeakPolarHBondContact O-CG 3.12Å; K154-E158 PolarHBondContact O-N 2.99Å
155	V	97.9	Very high	98.3	Very high	54 Å²	54	61.2 Å²	61.2	33%	0.327	31%	0.309	S	S	.	.	H	α-helix	trans	-64.8	-42	179.6	178.7	0	0	0	0	109.7	L37 D153 L159	L37-V155 HydrophobicContact CD2-CG1 4.34Å; D153-V155 PolarHBondContact O-N 3.43Å; D153-V155 WeakPolarHBondContact OD1-CB 3.47Å; D153-V155 PolarHBondContact OD1-N 3.38Å; V155-L159 HydrophobicContact CG1-CD1 3.66Å; V155-L159 HydrophobicContact CG1-CG 4.3Å; V155-L159 WeakPolarHBondContact O-CB 3.27Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.19Å; V155-L159 PolarHBondContact O-N 3.01Å
156	F	98.6	Very high	98.2	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.1	-48.4	172.9	178.2	-89.4	0	0	0	111.4	V47 H62 N150 D153 K154 E158 L159 F160 V163 V164 I167	V47-F156 HydrophobicContact CB-CE2 4.46Å; V47-F156 HydrophobicContact CG1-CE2 4.11Å; V47-F156 HydrophobicContact CG2-CD2 4.05Å; V47-F156 HydrophobicContact CG2-CE2 3.48Å; V47-F156 VanDerWaalsContact CG2-CE2 3.48Å; V47-F156 HydrophobicContact CG2-CZ 4.39Å; H62-F156 HydrophobicContact CB-CD2 3.76Å; H62-F156 HydrophobicContact CB-CE2 4.19Å; H62-F156 AromaticContact CD2-CD2 3.91Å; H62-F156 AromaticContact CG-CD2 3.78Å; N150-F156 HydrophobicContact CB-CD1 3.74Å; N150-F156 HydrophobicContact CB-CD2 3.99Å; N150-F156 HydrophobicContact CB-CE1 3.66Å; N150-F156 HydrophobicContact CB-CE2 3.87Å; N150-F156 HydrophobicContact CB-CG 3.91Å; N150-F156 HydrophobicContact CB-CZ 3.72Å; N150-F156 VanDerWaalsContact O-CD1 3.29Å; N150-F156 WeakPolarHBondContact O-CD1 3.24Å; D153-F156 HydrophobicContact CB-CB 3.88Å; D153-F156 PolarHBondContact O-N 3.01Å; D153-F156 PolarHBondContact OD1-N 3.45Å; K154-F156 VanDerWaalsContact C-N 3.32Å; K154-F156 PolarHBondContact O-N 3.47Å; F156-E158 VanDerWaalsContact C-N 3.35Å; F156-E158 PolarHBondContact O-N 3.27Å; F156-L159 PolarHBondContact O-N 3.17Å; F156-F160 AromaticContact CD2-CD2 3.99Å; F156-F160 HydrophobicContact CD2-CD2 3.99Å; F156-F160 HydrophobicContact CE2-CD2 4.33Å; F156-F160 HydrophobicContact CG-CD2 4.48Å; F156-F160 WeakPolarHBondContact O-CD2 3.2Å; F156-F160 PolarHBondContact O-N 3.28Å; F156-V163 HydrophobicContact CZ-CB 4.34Å; F156-V163 HydrophobicContact CZ-CG1 3.81Å; F156-V164 HydrophobicContact CD1-CG2 4.02Å; F156-V164 HydrophobicContact CE1-CG2 3.77Å; F156-I167 HydrophobicContact CE1-CD1 4.02Å; F156-I167 HydrophobicContact CZ-CD1 3.84Å
157	C	98.4	Very high	98.2	Very high	41 Å²	41	58 Å²	58	28%	0.277	29%	0.294	S	S	.	.	H	α-helix	trans	-65.4	-37.3	-176.7	-65.8	0	0	0	0	113.4	L151 D153 K154 V164	L151-C157 PolarHBondContact O-SG 3.08Å; D153-C157 PolarHBondContact O-N 3.04Å; D153-C157 PolarHBondContact O-SG 2.96Å; K154-C157 PolarHBondContact O-N 3.24Å; C157-V164 HydrophobicContact CB-CG2 4.21Å
158	E	98.1	Very high	98.1	Very high	149 Å²	149	62.1 Å²	62.1	70%	0.696	31%	0.311	S	S	*	.	H	α-helix	trans	-73.5	-40.2	179.7	-73.8	172.3	-166.8	0	0	112.2	K154 F156	K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 VanDerWaalsContact O-CG 3.3Å; K154-E158 WeakPolarHBondContact O-CG 3.12Å; K154-E158 PolarHBondContact O-N 2.99Å; F156-E158 VanDerWaalsContact C-N 3.35Å; F156-E158 PolarHBondContact O-N 3.27Å
159	L	98.4	Very high	98	Very high	22 Å²	22	65.8 Å²	65.8	12%	0.115	32%	0.321	C	S	.	.	H	α-helix	trans	-81.2	-30.6	-177.4	-64.6	177.3	0	0	0	113.1	E35 L37 H45 V155 F156 P161	E35-L159 HydrophobicContact CB-CB 4.37Å; E35-L159 HydrophobicContact CB-CD2 4.44Å; E35-L159 WeakPolarHBondContact CG-O 3.4Å; L37-L159 HydrophobicContact CD2-CD1 3.89Å; L37-L159 HydrophobicContact CD2-CD2 4.49Å; H45-L159 HydrophobicContact CB-CD1 3.65Å; V155-L159 HydrophobicContact CG1-CD1 3.66Å; V155-L159 HydrophobicContact CG1-CG 4.3Å; V155-L159 WeakPolarHBondContact O-CB 3.27Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.19Å; V155-L159 PolarHBondContact O-N 3.01Å; F156-L159 PolarHBondContact O-N 3.17Å; L159-P161 WeakPolarHBondContact O-CD 3.26Å
160	F	98.6	Very high	97.6	Very high	7 Å²	7	66.4 Å²	66.4	3%	0.031	32%	0.323	C	S	.	.			trans	-125.8	58.8	-172.3	-51.7	-75.1	0	0	0	113.1	C33 E35 H45 V47 H62 F156 D162 V163 V164	C33-F160 HydrophobicContact CB-CD1 4.21Å; C33-F160 HydrophobicContact CB-CE1 4.28Å; E35-F160 HydrophobicContact CB-CE1 4.08Å; E35-F160 HydrophobicContact CB-CZ 4.25Å; E35-F160 HydrophobicContact CG-CD1 4.02Å; E35-F160 HydrophobicContact CG-CE1 3.58Å; E35-F160 HydrophobicContact CG-CZ 4.22Å; H45-F160 HydrophobicContact CB-CE2 3.82Å; H45-F160 HydrophobicContact CB-CZ 3.77Å; V47-F160 HydrophobicContact CG2-CB 4.41Å; V47-F160 HydrophobicContact CG2-CD1 3.92Å; V47-F160 HydrophobicContact CG2-CD2 3.54Å; V47-F160 HydrophobicContact CG2-CE1 4Å; V47-F160 HydrophobicContact CG2-CE2 3.66Å; V47-F160 HydrophobicContact CG2-CG 3.68Å; V47-F160 HydrophobicContact CG2-CZ 3.9Å; H62-F160 AromaticContact CD2-CE2 3.83Å; H62-F160 AromaticContact NE2-CE2 3.89Å; F156-F160 AromaticContact CD2-CD2 3.99Å; F156-F160 HydrophobicContact CD2-CD2 3.99Å; F156-F160 HydrophobicContact CE2-CD2 4.33Å; F156-F160 HydrophobicContact CG-CD2 4.48Å; F156-F160 WeakPolarHBondContact O-CD2 3.2Å; F156-F160 PolarHBondContact O-N 3.28Å; F160-D162 VanDerWaalsContact C-N 3.32Å; F160-D162 PolarHBondContact O-N 3.5Å; F160-V163 HydrophobicContact CB-CB 3.92Å; F160-V163 HydrophobicContact CB-CG2 3.9Å; F160-V163 PolarHBondContact O-N 3.19Å; F160-V163 VanDerWaalsContact O-N 3.1Å; F160-V164 PolarHBondContact O-N 3.28Å
161	P	98.3	Very high	97.3	Very high	66 Å²	66	69.2 Å²	69.2	43%	0.429	34%	0.336	S	S	.	.	H	α-helix	trans	-58.2	-41.2	-177.6	24.1	-34.1	0	0	0	112.8	L159 V163 V164 E165	L159-P161 WeakPolarHBondContact O-CD 3.26Å; P161-V163 VanDerWaalsContact C-N 3.28Å; P161-V163 PolarHBondContact O-N 3.22Å; P161-V164 WeakPolarHBondContact O-CB 3.48Å; P161-V164 PolarHBondContact O-N 2.99Å; P161-V164 VanDerWaalsContact O-N 3.12Å; P161-E165 PolarHBondContact O-N 3.26Å
162	D	97.9	Very high	97	Very high	124 Å²	124	73.2 Å²	73.2	66%	0.663	35%	0.352	S	S	*	.	H	α-helix	trans	-62.4	-36.9	178.5	-56.9	-17.8	0	0	0	112	F160 E165 E166	F160-D162 VanDerWaalsContact C-N 3.32Å; F160-D162 PolarHBondContact O-N 3.5Å; D162-E165 PolarHBondContact O-N 3.16Å; D162-E166 PolarHBondContact O-N 3.41Å
163	V	98.3	Very high	96.7	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.024	34%	0.339	C	S	.	.	H	α-helix	trans	-71.6	-36.4	177.1	-174.4	0	0	0	0	110.7	V47 Y60 F156 F160 P161 E165 E166 I167	V47-V163 HydrophobicContact CG1-CG1 4.28Å; Y60-V163 HydrophobicContact CD1-CG1 3.54Å; Y60-V163 HydrophobicContact CE1-CG1 3.8Å; F156-V163 HydrophobicContact CZ-CB 4.34Å; F156-V163 HydrophobicContact CZ-CG1 3.81Å; F160-V163 HydrophobicContact CB-CB 3.92Å; F160-V163 HydrophobicContact CB-CG2 3.9Å; F160-V163 PolarHBondContact O-N 3.19Å; F160-V163 VanDerWaalsContact O-N 3.1Å; P161-V163 VanDerWaalsContact C-N 3.28Å; P161-V163 PolarHBondContact O-N 3.22Å; V163-E165 VanDerWaalsContact C-N 3.33Å; V163-E166 PolarHBondContact O-N 3.44Å; V163-I167 HydrophobicContact CG1-CD1 4.14Å; V163-I167 HydrophobicContact CG1-CG1 4.48Å; V163-I167 WeakPolarHBondContact O-CB 3.32Å; V163-I167 VanDerWaalsContact O-CG1 3.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.24Å; V163-I167 PolarHBondContact O-N 3.37Å
164	V	98.5	Very high	96.2	Very high	12 Å²	12	73 Å²	73	7%	0.073	36%	0.358	C	S	.	.	H	α-helix	trans	-60.1	-45.1	172.7	167.7	0	0	0	0	110.9	L151 F156 C157 F160 P161 I167 K168	L151-V164 HydrophobicContact CD2-CB 4.26Å; L151-V164 HydrophobicContact CD2-CG1 3.73Å; L151-V164 HydrophobicContact CD2-CG2 4.17Å; F156-V164 HydrophobicContact CD1-CG2 4.02Å; F156-V164 HydrophobicContact CE1-CG2 3.77Å; C157-V164 HydrophobicContact CB-CG2 4.21Å; F160-V164 PolarHBondContact O-N 3.28Å; P161-V164 WeakPolarHBondContact O-CB 3.48Å; P161-V164 PolarHBondContact O-N 2.99Å; P161-V164 VanDerWaalsContact O-N 3.12Å; V164-I167 PolarHBondContact O-N 3.2Å; V164-K168 HydrophobicContact CG1-CD 4.09Å; V164-K168 WeakPolarHBondContact O-CG 3.43Å; V164-K168 PolarHBondContact O-N 3.42Å
165	E	98.1	Very high	95.8	Very high	117 Å²	117	71.3 Å²	71.3	55%	0.547	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-45.1	176.9	-70.3	-173.5	176.3	0	0	111.6	P161 D162 V163 I167 K168 Q169	P161-E165 PolarHBondContact O-N 3.26Å; D162-E165 PolarHBondContact O-N 3.16Å; V163-E165 VanDerWaalsContact C-N 3.33Å; E165-I167 PolarHBondContact O-N 3.13Å; E165-K168 PolarHBondContact O-N 3.26Å; E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.42Å; E165-Q169 PolarHBondContact O-N 3.48Å
166	E	97.1	Very high	95.4	Very high	44 Å²	44	74 Å²	74	21%	0.206	36%	0.361	C	S	.	.	H	α-helix	trans	-58.5	-45.2	175.7	-172.1	-175.8	146.6	0	0	112.1	R49 Y60 D162 V163 Q169 K170	R49-E166 IonicContact CZ-OE1 3.39Å; R49-E166 IonicContact CZ-OE2 3.31Å; R49-E166 IonicContact NE-OE1 2.78Å; R49-E166 IonicContact NE-OE2 3.62Å; R49-E166 IonicContact NH1-OE1 2.54Å; R49-E166 IonicContact NH1-OE2 2.64Å; R49-E166 PolarHBondContact NH1-OE2 3.44Å; R49-E166 IonicContact NH2-OE2 2.97Å; R49-E166 PolarHBondContact NH2-OE2 3.47Å; Y60-E166 VanDerWaalsContact OH-CD 3.26Å; Y60-E166 PolarHBondContact OH-OE1 3.1Å; D162-E166 PolarHBondContact O-N 3.41Å; V163-E166 PolarHBondContact O-N 3.44Å; E166-Q169 PolarHBondContact O-N 3.26Å; E166-K170 PolarHBondContact O-N 2.92Å; E166-K170 IonicContact OE1-NZ 3.93Å
167	I	97.3	Very high	94.9	Very high	0 Å²	0	78.4 Å²	78.4	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-60.9	-46.8	176.6	-72.4	171.6	0	0	0	110.6	Y60 L147 L151 F156 V163 V164 E165 Q169 K170 Q171	Y60-I167 HydrophobicContact CD1-CD1 4.17Å; Y60-I167 HydrophobicContact CD1-CG1 4.17Å; Y60-I167 HydrophobicContact CD2-CD1 4.13Å; Y60-I167 HydrophobicContact CD2-CG1 3.86Å; Y60-I167 HydrophobicContact CE1-CG1 4.18Å; Y60-I167 HydrophobicContact CE2-CG1 3.88Å; Y60-I167 HydrophobicContact CG-CD1 3.9Å; Y60-I167 HydrophobicContact CG-CG1 4.03Å; L147-I167 HydrophobicContact CB-CG2 3.94Å; L147-I167 HydrophobicContact CD2-CB 4.31Å; L147-I167 HydrophobicContact CD2-CD1 4.4Å; L147-I167 HydrophobicContact CD2-CG1 3.86Å; L147-I167 HydrophobicContact CD2-CG2 3.8Å; L147-I167 HydrophobicContact CG-CG2 4.43Å; L151-I167 HydrophobicContact CD1-CG2 3.79Å; L151-I167 HydrophobicContact CD2-CG2 4.14Å; L151-I167 HydrophobicContact CG-CG2 3.93Å; F156-I167 HydrophobicContact CE1-CD1 4.02Å; F156-I167 HydrophobicContact CZ-CD1 3.84Å; V163-I167 HydrophobicContact CG1-CD1 4.14Å; V163-I167 HydrophobicContact CG1-CG1 4.48Å; V163-I167 WeakPolarHBondContact O-CB 3.32Å; V163-I167 VanDerWaalsContact O-CG1 3.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.24Å; V163-I167 PolarHBondContact O-N 3.37Å; V164-I167 PolarHBondContact O-N 3.2Å; E165-I167 PolarHBondContact O-N 3.13Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; I167-Q169 PolarHBondContact O-N 2.99Å; I167-K170 PolarHBondContact O-N 3.44Å; I167-Q171 WeakPolarHBondContact O-CG 3.37Å; I167-Q171 PolarHBondContact O-N 3.02Å
168	K	96.6	Very high	94.4	Very high	109 Å²	109	80 Å²	80	47%	0.474	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-40.1	179.4	-74.9	175.7	179.1	175.5	0	111.9	L151 V164 E165 Q171 K172	L151-K168 HydrophobicContact CD1-CG 4.49Å; V164-K168 HydrophobicContact CG1-CD 4.09Å; V164-K168 WeakPolarHBondContact O-CG 3.43Å; V164-K168 PolarHBondContact O-N 3.42Å; E165-K168 PolarHBondContact O-N 3.26Å; K168-Q171 PolarHBondContact O-N 3.11Å; K168-K172 WeakPolarHBondContact O-CG 3.26Å; K168-K172 PolarHBondContact O-N 3.16Å; K168-K172 VanDerWaalsContact O-N 3.12Å
169	Q	95.6	Very high	93.8	Very high	122 Å²	122	75.8 Å²	75.8	57%	0.57	39%	0.387	S	S	*	.	H	α-helix	trans	-63.8	-45.2	176	-72.3	173.3	9.2	0	0	111.2	E165 E166 I167 Q171 K172 V173	E165-Q169 VanDerWaalsContact O-CG 3.3Å; E165-Q169 WeakPolarHBondContact O-CG 3.42Å; E165-Q169 PolarHBondContact O-N 3.48Å; E166-Q169 PolarHBondContact O-N 3.26Å; I167-Q169 VanDerWaalsContact C-N 3.34Å; I167-Q169 PolarHBondContact O-N 2.99Å; Q169-Q171 VanDerWaalsContact C-N 3.33Å; Q169-Q171 PolarHBondContact O-N 3.29Å; Q169-K172 PolarHBondContact O-N 3.46Å; Q169-V173 WeakPolarHBondContact O-CG2 3.29Å; Q169-V173 PolarHBondContact O-N 3.43Å
170	K	91.1	Very high	92.8	Very high	97 Å²	97	84.4 Å²	84.4	42%	0.422	42%	0.418	S	S	.	.	H	α-helix	trans	-59.2	-41.9	175.9	-79.6	-174.4	172.8	-179.3	0	112.8	Y60 E166 I167 V173 Q174	Y60-K170 HydrophobicContact CE2-CD 4.3Å; Y60-K170 WeakPolarHBondContact OH-CD 3.45Å; Y60-K170 VanDerWaalsContact OH-CE 3.29Å; Y60-K170 WeakPolarHBondContact OH-CE 3.42Å; Y60-K170 PolarHBondContact OH-NZ 3.4Å; E166-K170 PolarHBondContact O-N 2.92Å; E166-K170 IonicContact OE1-NZ 3.93Å; I167-K170 PolarHBondContact O-N 3.44Å; K170-V173 PolarHBondContact O-N 3.4Å; K170-Q174 WeakPolarHBondContact O-CB 3.27Å; K170-Q174 PolarHBondContact O-N 2.93Å
171	Q	91.9	Very high	91.3	Very high	58 Å²	58	89.5 Å²	89.5	27%	0.271	45%	0.449	S	S	.	.	H	α-helix	trans	-63	-45.9	177.1	-73.3	-179.7	-43	0	0	112	L147 I167 K168 Q169 V173 Q174 E175	L147-Q171 HydrophobicContact CD1-CG 4.41Å; I167-Q171 WeakPolarHBondContact O-CG 3.37Å; I167-Q171 PolarHBondContact O-N 3.02Å; K168-Q171 PolarHBondContact O-N 3.11Å; Q169-Q171 VanDerWaalsContact C-N 3.33Å; Q169-Q171 PolarHBondContact O-N 3.29Å; Q171-V173 PolarHBondContact O-N 2.84Å; Q171-Q174 PolarHBondContact O-N 3.38Å; Q171-E175 WeakPolarHBondContact O-CG 3.31Å; Q171-E175 PolarHBondContact O-N 3.07Å
172	K	92.8	Very high	89.4	Confident	131 Å²	131	93.3 Å²	93.3	57%	0.57	46%	0.461	S	S	*	.	H	α-helix	trans	-58.7	-47.7	176.8	-71.7	176.2	-179.5	-174.8	0	112.4	K168 Q169 Q174 E175 E176	K168-K172 WeakPolarHBondContact O-CG 3.26Å; K168-K172 PolarHBondContact O-N 3.16Å; K168-K172 VanDerWaalsContact O-N 3.12Å; Q169-K172 PolarHBondContact O-N 3.46Å; K172-Q174 VanDerWaalsContact C-N 3.3Å; K172-Q174 PolarHBondContact O-N 3.43Å; K172-E175 PolarHBondContact O-N 3.31Å; K172-E176 WeakPolarHBondContact O-CG 3.47Å; K172-E176 PolarHBondContact O-N 2.84Å
173	V	91.3	Very high	87.4	Confident	82 Å²	82	92.5 Å²	92.5	50%	0.497	46%	0.463	S	S	.	.	H	α-helix	trans	-61.1	-41.2	178.6	172.2	0	0	0	0	110.9	Q169 K170 Q171 E176 L177	Q169-V173 WeakPolarHBondContact O-CG2 3.29Å; Q169-V173 PolarHBondContact O-N 3.43Å; K170-V173 PolarHBondContact O-N 3.4Å; Q171-V173 PolarHBondContact O-N 2.84Å; V173-E176 PolarHBondContact O-N 3.29Å; V173-L177 HydrophobicContact CG1-CD1 3.82Å; V173-L177 HydrophobicContact CG1-CG 4.46Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CD1 3.11Å; V173-L177 VanDerWaalsContact O-CG 3.24Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 3.33Å
174	Q	87.4	Confident	85.3	Confident	132 Å²	132	99.7 Å²	99.7	62%	0.617	50%	0.501	S	S	*	.	H	α-helix	trans	-65.3	-41.6	177.6	-172.1	65.2	24.9	0	0	112.3	K170 Q171 K172 S178	K170-Q174 WeakPolarHBondContact O-CB 3.27Å; K170-Q174 PolarHBondContact O-N 2.93Å; Q171-Q174 PolarHBondContact O-N 3.38Å; K172-Q174 VanDerWaalsContact C-N 3.3Å; K172-Q174 PolarHBondContact O-N 3.43Å; Q174-S178 WeakPolarHBondContact O-CB 3.5Å; Q174-S178 PolarHBondContact O-N 3.16Å; Q174-S178 PolarHBondContact O-OG 3.41Å
175	E	89.8	Confident	83.4	Confident	127 Å²	127	104.8 Å²	104.8	59%	0.593	53%	0.534	S	S	*	.	H	α-helix	trans	-63.1	-47.5	176.2	-75.2	171	-166.8	0	0	111.2	Q171 K172 L177 S178 A179	Q171-E175 WeakPolarHBondContact O-CG 3.31Å; Q171-E175 PolarHBondContact O-N 3.07Å; K172-E175 PolarHBondContact O-N 3.31Å; E175-L177 PolarHBondContact O-N 3.04Å; E175-S178 PolarHBondContact O-N 3.35Å; E175-S178 PolarHBondContact O-OG 3.31Å; E175-A179 WeakPolarHBondContact O-CB 3.3Å; E175-A179 PolarHBondContact O-N 2.93Å
176	E	90.5	Very high	81.6	Confident	110 Å²	110	106.6 Å²	106.6	51%	0.514	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-41.9	177.4	-72.5	177.4	-166.3	0	0	112.8	K172 V173 A179 R180	K172-E176 WeakPolarHBondContact O-CG 3.47Å; K172-E176 PolarHBondContact O-N 2.84Å; V173-E176 PolarHBondContact O-N 3.29Å; E176-A179 PolarHBondContact O-N 2.95Å; E176-R180 WeakPolarHBondContact O-CG 3.43Å; E176-R180 PolarHBondContact O-N 3.08Å
177	L	86.9	Confident	79.8	Confident	93 Å²	93	109.8 Å²	109.8	49%	0.487	57%	0.571	S	S	.	*	H	α-helix	trans	-63.3	-42.9	174.9	-74.4	165.6	0	0	0	111.5	V173 E175 R180 T181	V173-L177 HydrophobicContact CG1-CD1 3.82Å; V173-L177 HydrophobicContact CG1-CG 4.46Å; V173-L177 WeakPolarHBondContact O-CB 3.39Å; V173-L177 WeakPolarHBondContact O-CD1 3.11Å; V173-L177 VanDerWaalsContact O-CG 3.24Å; V173-L177 WeakPolarHBondContact O-CG 3.48Å; V173-L177 PolarHBondContact O-N 3.33Å; E175-L177 PolarHBondContact O-N 3.04Å; L177-R180 PolarHBondContact O-N 2.92Å; L177-T181 PolarHBondContact O-N 3.01Å; L177-T181 PolarHBondContact O-OG1 3.35Å
178	S	87.4	Confident	77.8	Confident	74 Å²	74	117.2 Å²	117.2	52%	0.517	61%	0.611	S	S	.	*	H	α-helix	trans	-65.1	-38.5	177.2	74.2	0	0	0	0	112.3	Q174 E175 R180 T181	Q174-S178 WeakPolarHBondContact O-CB 3.5Å; Q174-S178 PolarHBondContact O-N 3.16Å; Q174-S178 PolarHBondContact O-OG 3.41Å; E175-S178 PolarHBondContact O-N 3.35Å; E175-S178 PolarHBondContact O-OG 3.31Å; S178-R180 PolarHBondContact O-N 2.81Å; S178-T181 PolarHBondContact O-N 3.17Å
179	A	86	Confident	75.9	Confident	61 Å²	61	118.4 Å²	118.4	50%	0.504	63%	0.627	S	S	.	*	H	α-helix	trans	-70.1	-28.9	178.2	0	0	0	0	0	113.1	E175 E176 T181 Q182	E175-A179 WeakPolarHBondContact O-CB 3.3Å; E175-A179 PolarHBondContact O-N 2.93Å; E176-A179 PolarHBondContact O-N 2.95Å; A179-T181 VanDerWaalsContact C-N 3.34Å; A179-Q182 VanDerWaalsContact O-CG 3.3Å; A179-Q182 WeakPolarHBondContact O-CG 3.32Å
180	R	78.3	Confident	74	Confident	203 Å²	203	118 Å²	118	77%	0.766	63%	0.633	S	S	*	*	H	α-helix	trans	-77.5	-17.1	175.3	-74.2	178.4	-175	-179.7	5.5	113.9	E176 L177 S178 Q182	E176-R180 WeakPolarHBondContact O-CG 3.43Å; E176-R180 PolarHBondContact O-N 3.08Å; L177-R180 PolarHBondContact O-N 2.92Å; S178-R180 PolarHBondContact O-N 2.81Å; R180-Q182 VanDerWaalsContact C-N 3.26Å; R180-Q182 PolarHBondContact O-N 2.93Å
181	T	65.6	Low	71.9	Confident	113 Å²	113	119.2 Å²	119.2	69%	0.693	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	22.5	-178.3	-38.3	0	0	0	0	112.1	L177 S178 A179	L177-T181 PolarHBondContact O-N 3.01Å; L177-T181 PolarHBondContact O-OG1 3.35Å; S178-T181 PolarHBondContact O-N 3.17Å; A179-T181 VanDerWaalsContact C-N 3.34Å
182	Q	59.7	Low	70.1	Confident	146 Å²	146	124.1 Å²	124.1	68%	0.682	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-56.7	138.9	173.1	-72.8	-73.6	-10.4	0	0	110	A179 R180 L184	A179-Q182 VanDerWaalsContact O-CG 3.3Å; A179-Q182 WeakPolarHBondContact O-CG 3.32Å; R180-Q182 VanDerWaalsContact C-N 3.26Å; R180-Q182 PolarHBondContact O-N 2.93Å; Q182-L184 PolarHBondContact O-N 2.82Å
183	P	54.8	Low	67.4	Low	107 Å²	107	121.5 Å²	121.5	70%	0.695	69%	0.688	S	S	*	*	P	Polyproline II helix	trans	-59	133.9	-178.4	-15.8	27.7	0	0	0	109.6
184	L	55.1	Low	64.9	Low	156 Å²	156	125.5 Å²	125.5	82%	0.817	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-47.8	134.3	158.7	-75.1	163.1	0	0	0	107.4	Q182 L186	Q182-L184 PolarHBondContact O-N 2.82Å; L184-L186 PolarHBondContact O-N 2.83Å
185	P	57.2	Low	62.8	Low	118 Å²	118	124.5 Å²	124.5	77%	0.766	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-49.9	122.1	169	-20.1	29.3	0	0	0	107.1
186	L	60.4	Low	60.2	Low	156 Å²	156	127.2 Å²	127.2	82%	0.817	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-52	130.3	169.1	-77.3	161.7	0	0	0	106.2	L184 D188	L184-L186 PolarHBondContact O-N 2.83Å; L186-D188 PolarHBondContact O-N 2.74Å; L186-D188 VanDerWaalsContact O-N 3.12Å
187	P	60.5	Low	57.6	Low	110 Å²	110	130.9 Å²	130.9	71%	0.714	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-55.1	126.4	173.6	11.9	-16.3	0	0	0	107.5	V189	P187-V189 PolarHBondContact O-N 2.71Å
188	D	55.3	Low	55.1	Low	156 Å²	156	131.6 Å²	131.6	83%	0.834	76%	0.761	S	S	*	*			trans	-49.2	109.9	177	-72.1	-48	0	0	0	108.1	L186 V190	L186-D188 PolarHBondContact O-N 2.74Å; L186-D188 VanDerWaalsContact O-N 3.12Å; D188-V190 PolarHBondContact O-N 2.73Å
189	V	56.3	Low	52.5	Low	135 Å²	135	135.5 Å²	135.5	82%	0.818	77%	0.771	S	S	*	*			trans	-69.6	95.9	169.2	178.4	0	0	0	0	105.1	P187 P191	P187-V189 PolarHBondContact O-N 2.71Å; V189-P191 WeakPolarHBondContact O-CD 3.45Å
190	V	55.3	Low	50	Low	114 Å²	114	142.9 Å²	142.9	69%	0.691	79%	0.787	S	S	*	*			trans	-56.8	120.1	168.3	-129.6	0	0	0	0	107.2	D188 D192	D188-V190 PolarHBondContact O-N 2.73Å; V190-D192 PolarHBondContact O-N 2.96Å
191	P	48.1	Very low	47.7	Very low	122 Å²	122	136.8 Å²	136.8	79%	0.792	79%	0.787	S	S	*	*			trans	-81	93.9	170.1	10.9	5	0	0	0	107.8	V189	V189-P191 WeakPolarHBondContact O-CD 3.45Å
192	D	53.1	Low	46.3	Very low	160 Å²	160	139.7 Å²	139.7	86%	0.856	80%	0.798	S	S	*	*			trans	-86.6	113.8	161.2	-88	-31.8	0	0	0	108.6	V190	V190-D192 PolarHBondContact O-N 2.96Å
193	G	37.6	Very low	45.2	Very low	76 Å²	76	138.5 Å²	138.5	78%	0.784	80%	0.803	S	S	*	*			trans	157.8	99.2	167.1	0	0	0	0	0	114.8
194	D	37.8	Very low	44.4	Very low	166 Å²	166	139.8 Å²	139.8	89%	0.888	81%	0.808	S	S	*	*			trans	-56.5	162.7	173.9	-101.7	-36.3	0	0	0	115.2
195	P	44	Very low	43.4	Very low	111 Å²	111	140.8 Å²	140.8	72%	0.721	81%	0.814	S	S	*	*			trans	-91.1	124.6	-169.6	34.1	-30.2	0	0	0	113.3
196	Q	34.9	Very low	42.2	Very low	184 Å²	184	143 Å²	143	86%	0.86	82%	0.819	S	S	*	*			trans	-141.2	112	157.6	-100.3	-171.7	-25.6	0	0	113.4
197	Q	35.4	Very low	40.8	Very low	188 Å²	188	139 Å²	139	88%	0.879	82%	0.816	S	S	*	*			trans	15.8	120.1	146.5	-72.2	169.2	-27.6	0	0	119.3
198	A	33.7	Very low	39.4	Very low	108 Å²	108	137.6 Å²	137.6	89%	0.893	82%	0.821	S	S	*	*			trans	-146.4	132.6	139.1	0	0	0	0	0	111.1
199	H	33.7	Very low	38.7	Very low	156 Å²	156	136.4 Å²	136.4	72%	0.722	82%	0.822	S	S	*	*			trans	-83	174.2	-171.8	-134	-72.9	0	0	0	112
200	Y	33	Very low	37.8	Very low	215 Å²	215	136.2 Å²	136.2	84%	0.843	82%	0.82	S	S	*	*			trans	85.9	119.5	165.9	-43.8	-72.1	0	0	0	114.3
201	G	30.9	Very low	37.4	Very low	75 Å²	75	136.9 Å²	136.9	77%	0.773	83%	0.827	S	S	*	*			cis	118.6	92	29.4	0	0	0	0	0	107.8
202	L	35.6	Very low	36.8	Very low	175 Å²	175	140.1 Å²	140.1	92%	0.916	83%	0.834	S	S	*	*			trans	-75	143.8	174.5	-82	154.1	0	0	0	110.8
203	P	37.6	Very low	35.7	Very low	121 Å²	121	136.1 Å²	136.1	79%	0.786	83%	0.831	S	S	*	*			trans	-121.2	129.2	144	24.9	-8.4	0	0	0	111.8
204	V	36.6	Very low	35.3	Very low	133 Å²	133	140.5 Å²	140.5	81%	0.806	84%	0.836	S	S	*	*			trans	-71.2	136.6	159.3	166.6	0	0	0	0	108.3
205	L	33.7	Very low	35	Very low	178 Å²	178	137.5 Å²	137.5	93%	0.932	84%	0.835	S	S	*	*			trans	-160	134.4	146	-99.7	176.1	0	0	0	111.2
206	N	33.7	Very low	34.6	Very low	164 Å²	164	139.8 Å²	139.8	88%	0.877	84%	0.84	S	S	*	*			trans	-111.2	143.4	-177.7	-167.1	19.8	0	0	0	108.9
207	G	31.3	Very low	35.1	Very low	73 Å²	73	136.7 Å²	136.7	75%	0.753	84%	0.837	S	S	*	*			trans	162.8	115.3	170.1	0	0	0	0	0	114.5
208	G	29.3	Very low	35.1	Very low	79 Å²	79	132.3 Å²	132.3	81%	0.814	83%	0.832	S	S	*	*			trans	-81	-155	178.6	0	0	0	0	0	114.7
209	P	41	Very low	35.4	Very low	131 Å²	131	133.5 Å²	133.5	85%	0.851	83%	0.831	S	S	*	*			cis	-128.3	-177.7	-7	38.3	-18.5	0	0	0	115.8
210	V	38.3	Very low	35.3	Very low	131 Å²	131	129.6 Å²	129.6	79%	0.794	83%	0.833	S	S	*	*			trans	-51.7	161.6	-177.5	-124.1	0	0	0	0	118.1
211	P	45.9	Very low	35.4	Very low	129 Å²	129	127.8 Å²	127.8	84%	0.838	84%	0.837	S	S	*	*				-149.6	176.5	87.4	37.7	-16.4	0	0	0	117.9
212	M	35.5	Very low	35.6	Very low	190 Å²	190	132.4 Å²	132.4	94%	0.936	84%	0.838	S	S	*	*			trans	-76.9	164.6	-166.7	-56.3	-148	-73	0	0	117.1
213	G	29.9	Very low	35.5	Very low	76 Å²	76	132.6 Å²	132.6	78%	0.784	83%	0.834	S	S	*	*			trans	175.4	124.2	158.6	0	0	0	0	0	114.9
214	D	30.3	Very low	35.2	Very low	168 Å²	168	130.5 Å²	130.5	90%	0.898	84%	0.835	S	S	*	*			trans	-67.3	158.2	-172.2	-62.8	-66.3	0	0	0	117.9
215	A	31.8	Very low	35.3	Very low	103 Å²	103	130.1 Å²	130.1	85%	0.851	83%	0.828	S	S	*	*				150.1	129	125.3	0	0	0	0	0	115.2
216	N	33.7	Very low	35.6	Very low	158 Å²	158	133.3 Å²	133.3	85%	0.845	83%	0.828	S	S	*	*			trans	-81.5	178.8	163.3	-101.2	-26.2	0	0	0	111
217	P	47.1	Very low	36	Very low	120 Å²	120	131.8 Å²	131.8	78%	0.779	82%	0.82	S	S	*	*			cis	-136	-179.9	-1.8	29.2	-4.4	0	0	0	117
218	A	34.2	Very low	36.9	Very low	95 Å²	95	138 Å²	138	79%	0.785	83%	0.829	S	S	*	*			trans	-20.6	160.5	170.1	0	0	0	0	0	121.9
219	P	40.4	Very low	37.4	Very low	134 Å²	134	136.6 Å²	136.6	87%	0.87	81%	0.814	S	S	*	*				-141.6	166.6	79.8	34.3	-14.9	0	0	0	115.3
220	G	30.8	Very low	38	Very low	73 Å²	73	138.9 Å²	138.9	75%	0.753	82%	0.818	S	S	*	*			trans	-95.6	-176.3	-164.2	0	0	0	0	0	118.2
221	L	36.1	Very low	38.6	Very low	177 Å²	177	139.2 Å²	139.2	93%	0.927	82%	0.815	S	S	*	*			trans	-141.3	123.4	159.2	-82.8	174.6	0	0	0	110.7
222	Q	34.5	Very low	38.9	Very low	173 Å²	173	135.5 Å²	135.5	81%	0.808	80%	0.8	S	S	*	*			trans	-57.7	156.6	158.2	-131	155.4	13.9	0	0	109.1
223	Q	34.9	Very low	40	Very low	178 Å²	178	128.5 Å²	128.5	83%	0.832	78%	0.776	S	S	*	*			cis	179.1	155.6	42.3	-167.2	160.8	23.6	0	0	109.4
224	G	30.3	Very low	41.2	Very low	78 Å²	78	127.9 Å²	127.9	80%	0.804	76%	0.764	S	S	*	*			trans	171.7	53.7	166.3	0	0	0	0	0	117.1
225	N	39.5	Very low	42.5	Very low	124 Å²	124	124.9 Å²	124.9	66%	0.663	75%	0.747	S	S	*	*			trans	-68.2	141.1	172.4	-176.6	20.9	0	0	0	112.3	N227	N225-N227 PolarHBondContact ND2-OD1 2.98Å; N225-N227 PolarHBondContact OD1-N 3.22Å; N225-N227 PolarHBondContact OD1-OD1 2.98Å
226	R	40	Very low	43.9	Very low	246 Å²	246	122.5 Å²	122.5	93%	0.928	73%	0.727	S	S	*	*			trans	-157.1	90.6	148.7	-108.3	174.3	-173.2	170.6	1.8	113.3
227	N	41.4	Very low	45.4	Very low	131 Å²	131	119.9 Å²	119.9	70%	0.701	71%	0.714	S	S	*	*			trans	-0.2	122.1	143.6	-54.7	-34.9	0	0	0	119.8	N225	N225-N227 PolarHBondContact ND2-OD1 2.98Å; N225-N227 PolarHBondContact OD1-N 3.22Å; N225-N227 PolarHBondContact OD1-OD1 2.98Å
228	H	50.3	Low	46.6	Very low	205 Å²	205	119.1 Å²	119.1	95%	0.949	70%	0.702	S	S	*	*			trans	-135.8	111	140.4	-117.9	-64.2	0	0	0	104.8
229	G	39.8	Very low	48.5	Very low	48 Å²	48	122.1 Å²	122.1	50%	0.495	70%	0.698	S	S	.	*			cis	131.1	102.3	21.7	0	0	0	0	0	106.1	L231 G232	G229-L231 PolarHBondContact O-N 3.35Å; G229-G232 PolarHBondContact O-N 3.4Å
230	L	53.6	Low	50.2	Low	179 Å²	179	119.6 Å²	119.6	94%	0.937	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.9	-0.1	-175.6	-156	73.2	0	0	0	116
231	L	51	Low	52.6	Low	138 Å²	138	121.7 Å²	121.7	72%	0.723	67%	0.673	S	S	*	*	H	α-helix	trans	-87.9	-18.9	-177.3	-75.2	160.6	0	0	0	114.1	G229	G229-L231 PolarHBondContact O-N 3.35Å
232	G	52.7	Low	55	Low	52 Å²	52	117.6 Å²	117.6	54%	0.536	66%	0.655	S	S	.	*	H	α-helix	trans	-68.3	-34.2	178.9	0	0	0	0	0	113.8	G229 A236	G229-G232 PolarHBondContact O-N 3.4Å; G232-A236 WeakPolarHBondContact O-CB 3.32Å; G232-A236 PolarHBondContact O-N 3.41Å
233	G	57.1	Low	57.4	Low	42 Å²	42	111.2 Å²	111.2	43%	0.433	64%	0.636	S	S	.	*	H	α-helix	trans	-75.2	-36.3	-179.2	0	0	0	0	0	113.8	N237	G233-N237 WeakPolarHBondContact O-CB 3.38Å; G233-N237 PolarHBondContact O-N 2.93Å; G233-N237 VanDerWaalsContact O-N 3.08Å; G233-N237 PolarHBondContact O-ND2 2.98Å
234	A	54.9	Low	59.9	Low	63 Å²	63	109.7 Å²	109.7	52%	0.521	63%	0.626	S	S	.	*	H	α-helix	trans	-70.1	-39	-179.4	0	0	0	0	0	112.4	N237 L238	A234-N237 PolarHBondContact O-N 3.5Å; A234-L238 PolarHBondContact O-N 3.37Å; A234-L238 VanDerWaalsContact O-N 3.13Å
235	L	58.2	Low	62.6	Low	106 Å²	106	108.9 Å²	108.9	56%	0.555	61%	0.612	S	S	*	*	H	α-helix	trans	-68.3	-41.5	175.9	-69.2	173.5	0	0	0	111.7	N237 L238 F239	L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3Å; L235-L238 WeakPolarHBondContact O-CB 3.25Å; L235-L238 PolarHBondContact O-N 2.94Å; L235-L238 VanDerWaalsContact O-N 3.16Å; L235-F239 WeakPolarHBondContact O-CD2 3.39Å; L235-F239 PolarHBondContact O-N 3.4Å
236	A	61.7	Low	65	Low	52 Å²	52	105.6 Å²	105.6	43%	0.43	60%	0.602	S	S	.	*	H	α-helix	trans	-60.6	-41.8	175.3	0	0	0	0	0	112.1	G232 L238 F239 V240	G232-A236 WeakPolarHBondContact O-CB 3.32Å; G232-A236 PolarHBondContact O-N 3.41Å; A236-L238 VanDerWaalsContact C-N 3.31Å; A236-L238 PolarHBondContact O-N 2.98Å; A236-F239 PolarHBondContact O-N 3.46Å; A236-V240 WeakPolarHBondContact O-CG2 3.38Å; A236-V240 PolarHBondContact O-N 3.49Å
237	N	64.7	Low	67.4	Low	104 Å²	104	100.5 Å²	100.5	56%	0.556	59%	0.587	S	S	*	*	H	α-helix	trans	-64.8	-33.6	175.8	-70.1	-23.1	0	0	0	112.6	G233 A234 L235 V240 I241	G233-N237 WeakPolarHBondContact O-CB 3.38Å; G233-N237 PolarHBondContact O-N 2.93Å; G233-N237 VanDerWaalsContact O-N 3.08Å; G233-N237 PolarHBondContact O-ND2 2.98Å; A234-N237 PolarHBondContact O-N 3.5Å; L235-N237 VanDerWaalsContact C-N 3.33Å; L235-N237 PolarHBondContact O-N 3Å; N237-V240 PolarHBondContact O-N 2.94Å; N237-I241 WeakPolarHBondContact O-CD1 3.41Å; N237-I241 VanDerWaalsContact O-CG1 3.26Å; N237-I241 WeakPolarHBondContact O-CG1 3.5Å; N237-I241 PolarHBondContact O-N 2.98Å
238	L	72.9	Confident	69.6	Low	104 Å²	104	97 Å²	97	55%	0.545	58%	0.577	S	S	.	*	H	α-helix	trans	-65.2	-44	176.7	-158.6	94.8	0	0	0	111.7	A234 L235 A236 V240 I241 V242	A234-L238 PolarHBondContact O-N 3.37Å; A234-L238 VanDerWaalsContact O-N 3.13Å; L235-L238 WeakPolarHBondContact O-CB 3.25Å; L235-L238 PolarHBondContact O-N 2.94Å; L235-L238 VanDerWaalsContact O-N 3.16Å; A236-L238 VanDerWaalsContact C-N 3.31Å; A236-L238 PolarHBondContact O-N 2.98Å; L238-V240 VanDerWaalsContact C-N 3.31Å; L238-V240 PolarHBondContact O-N 3.32Å; L238-I241 PolarHBondContact O-N 3.07Å; L238-V242 VanDerWaalsContact O-CG2 3.3Å; L238-V242 WeakPolarHBondContact O-CG2 3.46Å; L238-V242 PolarHBondContact O-N 3.3Å
239	F	73	Confident	71.7	Confident	157 Å²	157	95.1 Å²	95.1	69%	0.689	56%	0.562	S	S	*	*	H	α-helix	trans	-62.4	-38.4	177.5	-75.7	-69.2	0	0	0	112.4	L235 A236 G243	L235-F239 WeakPolarHBondContact O-CD2 3.39Å; L235-F239 PolarHBondContact O-N 3.4Å; A236-F239 PolarHBondContact O-N 3.46Å; F239-G243 PolarHBondContact O-N 3.27Å
240	V	76.6	Confident	74.1	Confident	82 Å²	82	96.7 Å²	96.7	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-65.5	-46.2	176.5	175.5	0	0	0	0	110.7	A236 N237 L238 G243 F244	A236-V240 WeakPolarHBondContact O-CG2 3.38Å; A236-V240 PolarHBondContact O-N 3.49Å; N237-V240 PolarHBondContact O-N 2.94Å; L238-V240 VanDerWaalsContact C-N 3.31Å; L238-V240 PolarHBondContact O-N 3.32Å; V240-G243 PolarHBondContact O-N 2.93Å; V240-F244 HydrophobicContact CG1-CD2 3.81Å; V240-F244 HydrophobicContact CG1-CE2 3.95Å; V240-F244 WeakPolarHBondContact O-CD2 3.3Å; V240-F244 PolarHBondContact O-N 2.94Å
241	I	82.2	Confident	75.8	Confident	117 Å²	117	91 Å²	91	60%	0.6	54%	0.535	S	S	*	.	H	α-helix	trans	-64.3	-44.7	-179.6	-67.1	165.6	0	0	0	111.2	N237 L238 G243 F244 A245	N237-I241 WeakPolarHBondContact O-CD1 3.41Å; N237-I241 VanDerWaalsContact O-CG1 3.26Å; N237-I241 WeakPolarHBondContact O-CG1 3.5Å; N237-I241 PolarHBondContact O-N 2.98Å; L238-I241 PolarHBondContact O-N 3.07Å; I241-G243 VanDerWaalsContact C-N 3.34Å; I241-G243 PolarHBondContact O-N 2.97Å; I241-F244 PolarHBondContact O-N 3.25Å; I241-A245 WeakPolarHBondContact O-CB 3.39Å; I241-A245 PolarHBondContact O-N 3.46Å
242	V	85.7	Confident	77.6	Confident	90 Å²	90	90 Å²	90	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-40.7	177.5	174.5	0	0	0	0	110.9	L238 A245 A246	L238-V242 VanDerWaalsContact O-CG2 3.3Å; L238-V242 WeakPolarHBondContact O-CG2 3.46Å; L238-V242 PolarHBondContact O-N 3.3Å; V242-A245 PolarHBondContact O-N 3.38Å; V242-A246 WeakPolarHBondContact O-CB 3.23Å; V242-A246 PolarHBondContact O-N 2.95Å
243	G	84.3	Confident	79.5	Confident	40 Å²	40	95 Å²	95	41%	0.412	53%	0.528	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176	0	0	0	0	0	113.2	F239 V240 I241 A246 F247	F239-G243 PolarHBondContact O-N 3.27Å; V240-G243 PolarHBondContact O-N 2.93Å; I241-G243 VanDerWaalsContact C-N 3.34Å; I241-G243 PolarHBondContact O-N 2.97Å; G243-A246 PolarHBondContact O-N 3.49Å; G243-F247 WeakPolarHBondContact O-CB 3.38Å; G243-F247 PolarHBondContact O-N 2.98Å
244	F	87.6	Confident	81	Confident	145 Å²	145	96.2 Å²	96.2	64%	0.636	53%	0.528	S	S	*	.	H	α-helix	trans	-65	-39.4	175.9	-94.3	-83.5	0	0	0	112.5	V240 I241 F247 A248	V240-F244 HydrophobicContact CG1-CD2 3.81Å; V240-F244 HydrophobicContact CG1-CE2 3.95Å; V240-F244 WeakPolarHBondContact O-CD2 3.3Å; V240-F244 PolarHBondContact O-N 2.94Å; I241-F244 PolarHBondContact O-N 3.25Å; F244-F247 PolarHBondContact O-N 3.2Å; F244-A248 WeakPolarHBondContact O-CB 3.32Å; F244-A248 PolarHBondContact O-N 2.94Å
245	A	87	Confident	82.5	Confident	61 Å²	61	98.5 Å²	98.5	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-65.9	-42.9	177.2	0	0	0	0	0	112.1	I241 V242 A248 Y249	I241-A245 WeakPolarHBondContact O-CB 3.39Å; I241-A245 PolarHBondContact O-N 3.46Å; V242-A245 PolarHBondContact O-N 3.38Å; A245-A248 PolarHBondContact O-N 3.46Å; A245-Y249 WeakPolarHBondContact O-CB 3.45Å; A245-Y249 PolarHBondContact O-N 3.07Å
246	A	89.8	Confident	83.7	Confident	55 Å²	55	101.3 Å²	101.3	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-63	-46.2	175.7	0	0	0	0	0	111.5	V242 G243 A248 Y249 T250	V242-A246 WeakPolarHBondContact O-CB 3.23Å; V242-A246 PolarHBondContact O-N 2.95Å; G243-A246 PolarHBondContact O-N 3.49Å; A246-A248 PolarHBondContact O-N 3.48Å; A246-Y249 PolarHBondContact O-N 2.94Å; A246-T250 PolarHBondContact O-N 3.31Å; A246-T250 PolarHBondContact O-OG1 3.1Å; A246-T250 VanDerWaalsContact O-OG1 3.07Å
247	F	90.2	Very high	84.7	Confident	140 Å²	140	101.4 Å²	101.4	61%	0.614	53%	0.531	S	S	*	.	H	α-helix	trans	-60.2	-46.2	176.7	179.8	-101.1	0	0	0	112.2	G243 F244 Y249 T250 V251	G243-F247 WeakPolarHBondContact O-CB 3.38Å; G243-F247 PolarHBondContact O-N 2.98Å; F244-F247 PolarHBondContact O-N 3.2Å; F247-Y249 VanDerWaalsContact C-N 3.29Å; F247-Y249 PolarHBondContact O-N 3.44Å; F247-T250 PolarHBondContact O-N 3.01Å; F247-V251 HydrophobicContact CD1-CG2 4.34Å; F247-V251 HydrophobicContact CE1-CG2 3.94Å; F247-V251 HydrophobicContact CE2-CG2 4.22Å; F247-V251 HydrophobicContact CZ-CG2 3.87Å; F247-V251 WeakPolarHBondContact O-CG2 3.32Å; F247-V251 PolarHBondContact O-N 3.22Å
248	A	89.3	Confident	85.4	Confident	58 Å²	58	101.7 Å²	101.7	48%	0.479	53%	0.532	S	S	.	.	H	α-helix	trans	-61.7	-37.2	176.7	0	0	0	0	0	112.2	F244 A245 A246 K252	F244-A248 WeakPolarHBondContact O-CB 3.32Å; F244-A248 PolarHBondContact O-N 2.94Å; A245-A248 PolarHBondContact O-N 3.46Å; A246-A248 PolarHBondContact O-N 3.48Å; A248-K252 WeakPolarHBondContact O-CB 3.33Å; A248-K252 PolarHBondContact O-N 3.27Å
249	Y	93.7	Very high	85.5	Confident	164 Å²	164	100.6 Å²	100.6	64%	0.643	54%	0.538	S	S	*	.	H	α-helix	trans	-67	-44.4	175.7	-170.5	-90.3	0	0	0	111.9	A245 A246 F247 V251 K252 Y253	A245-Y249 WeakPolarHBondContact O-CB 3.45Å; A245-Y249 PolarHBondContact O-N 3.07Å; A246-Y249 PolarHBondContact O-N 2.94Å; F247-Y249 VanDerWaalsContact C-N 3.29Å; F247-Y249 PolarHBondContact O-N 3.44Å; Y249-V251 PolarHBondContact O-N 2.94Å; Y249-K252 PolarHBondContact O-N 3.43Å; Y249-Y253 WeakPolarHBondContact O-CB 3.49Å; Y249-Y253 PolarHBondContact O-N 2.86Å
250	T	89.1	Confident	85.1	Confident	82 Å²	82	101.5 Å²	101.5	50%	0.503	54%	0.544	S	S	.	.	H	α-helix	trans	-60.7	-45.8	176.6	-56.4	0	0	0	0	111.5	A246 F247 K252 Y253 V254	A246-T250 PolarHBondContact O-N 3.31Å; A246-T250 PolarHBondContact O-OG1 3.1Å; A246-T250 VanDerWaalsContact O-OG1 3.07Å; F247-T250 PolarHBondContact O-N 3.01Å; T250-K252 VanDerWaalsContact C-N 3.35Å; T250-K252 PolarHBondContact O-N 2.98Å; T250-Y253 PolarHBondContact O-N 3.35Å; T250-V254 VanDerWaalsContact O-CG2 3.32Å; T250-V254 WeakPolarHBondContact O-CG2 3.42Å; T250-V254 PolarHBondContact O-N 3.17Å
251	V	91.1	Very high	83.9	Confident	59 Å²	59	108.4 Å²	108.4	36%	0.358	57%	0.571	S	S	.	*	H	α-helix	trans	-61.4	-44.5	176.5	172.3	0	0	0	0	110.9	F247 Y249 Y253 V254 L255	F247-V251 HydrophobicContact CD1-CG2 4.34Å; F247-V251 HydrophobicContact CE1-CG2 3.94Å; F247-V251 HydrophobicContact CE2-CG2 4.22Å; F247-V251 HydrophobicContact CZ-CG2 3.87Å; F247-V251 WeakPolarHBondContact O-CG2 3.32Å; F247-V251 PolarHBondContact O-N 3.22Å; Y249-V251 PolarHBondContact O-N 2.94Å; V251-Y253 VanDerWaalsContact C-N 3.33Å; V251-Y253 PolarHBondContact O-N 3.5Å; V251-V254 PolarHBondContact O-N 3.39Å; V251-L255 HydrophobicContact CG1-CD1 3.85Å; V251-L255 HydrophobicContact CG1-CG 4.32Å; V251-L255 WeakPolarHBondContact O-CB 3.44Å; V251-L255 VanDerWaalsContact O-CG 3.26Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 2.77Å
252	K	88.6	Confident	84	Confident	118 Å²	118	108 Å²	108	51%	0.513	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-38	177.4	-173.7	178.5	-179.5	178.4	0	112.5	A248 Y249 T250 R256	A248-K252 WeakPolarHBondContact O-CB 3.33Å; A248-K252 PolarHBondContact O-N 3.27Å; Y249-K252 PolarHBondContact O-N 3.43Å; T250-K252 VanDerWaalsContact C-N 3.35Å; T250-K252 PolarHBondContact O-N 2.98Å; K252-R256 WeakPolarHBondContact O-CB 3.46Å; K252-R256 WeakPolarHBondContact O-CG 3.3Å; K252-R256 PolarHBondContact O-N 3.26Å; K252-R256 VanDerWaalsContact O-N 3.1Å
253	Y	90.9	Very high	83.9	Confident	155 Å²	155	108.9 Å²	108.9	61%	0.608	57%	0.571	S	S	*	*	H	α-helix	trans	-66.4	-47.6	177	-177.2	-93.8	0	0	0	111.2	Y249 T250 V251 L255 R256 S257	Y249-Y253 WeakPolarHBondContact O-CB 3.49Å; Y249-Y253 PolarHBondContact O-N 2.86Å; T250-Y253 PolarHBondContact O-N 3.35Å; V251-Y253 VanDerWaalsContact C-N 3.33Å; V251-Y253 PolarHBondContact O-N 3.5Å; Y253-L255 PolarHBondContact O-N 3.44Å; Y253-R256 PolarHBondContact O-N 3.31Å; Y253-S257 PolarHBondContact O-N 3.34Å
254	V	89.6	Confident	83.9	Confident	69 Å²	69	112.8 Å²	112.8	42%	0.418	58%	0.58	S	S	.	*	H	α-helix	trans	-61.6	-46.2	177.9	171.4	0	0	0	0	111.3	T250 V251 R256 S257 I258	T250-V254 VanDerWaalsContact O-CG2 3.32Å; T250-V254 WeakPolarHBondContact O-CG2 3.42Å; T250-V254 PolarHBondContact O-N 3.17Å; V251-V254 PolarHBondContact O-N 3.39Å; V254-R256 VanDerWaalsContact C-N 3.29Å; V254-R256 PolarHBondContact O-N 3.27Å; V254-S257 WeakPolarHBondContact O-CB 3.26Å; V254-S257 PolarHBondContact O-N 3.01Å; V254-I258 HydrophobicContact CG1-CD1 3.73Å; V254-I258 HydrophobicContact CG1-CG1 4.45Å; V254-I258 VanDerWaalsContact O-CG1 3.3Å; V254-I258 WeakPolarHBondContact O-CG1 3.41Å; V254-I258 PolarHBondContact O-N 3.36Å
255	L	86.3	Confident	83.7	Confident	111 Å²	111	110.9 Å²	110.9	58%	0.581	58%	0.576	S	S	*	*	H	α-helix	trans	-62.7	-34.6	177.3	-70.1	174.7	0	0	0	112.8	V251 Y253 A259	V251-L255 HydrophobicContact CG1-CD1 3.85Å; V251-L255 HydrophobicContact CG1-CG 4.32Å; V251-L255 WeakPolarHBondContact O-CB 3.44Å; V251-L255 VanDerWaalsContact O-CG 3.26Å; V251-L255 WeakPolarHBondContact O-CG 3.46Å; V251-L255 PolarHBondContact O-N 2.77Å; Y253-L255 PolarHBondContact O-N 3.44Å; L255-A259 PolarHBondContact O-N 2.89Å
256	R	83.1	Confident	83.5	Confident	164 Å²	164	114 Å²	114	62%	0.619	58%	0.581	S	S	*	*	H	α-helix	trans	-72.1	-37	173.9	-81.5	-174.7	172.7	-170.1	-4.7	112.7	K252 Y253 V254 A259 Q260	K252-R256 WeakPolarHBondContact O-CB 3.46Å; K252-R256 WeakPolarHBondContact O-CG 3.3Å; K252-R256 PolarHBondContact O-N 3.26Å; K252-R256 VanDerWaalsContact O-N 3.1Å; Y253-R256 PolarHBondContact O-N 3.31Å; V254-R256 VanDerWaalsContact C-N 3.29Å; V254-R256 PolarHBondContact O-N 3.27Å; R256-A259 PolarHBondContact O-N 2.88Å; R256-Q260 PolarHBondContact O-N 2.99Å
257	S	82.3	Confident	83.1	Confident	55 Å²	55	117.9 Å²	117.9	39%	0.385	59%	0.589	S	S	.	*	H	α-helix	trans	-64.1	-42.8	176.6	-166.8	0	0	0	0	111.4	Y253 V254 A259 Q260	Y253-S257 PolarHBondContact O-N 3.34Å; V254-S257 WeakPolarHBondContact O-CB 3.26Å; V254-S257 PolarHBondContact O-N 3.01Å; S257-A259 PolarHBondContact O-N 3.17Å; S257-Q260 PolarHBondContact O-N 3.34Å
258	I	80.4	Confident	82.6	Confident	110 Å²	110	116.4 Å²	116.4	56%	0.564	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-27.5	178	-65.1	165.2	0	0	0	111.7	V254 Q260	V254-I258 HydrophobicContact CG1-CD1 3.73Å; V254-I258 HydrophobicContact CG1-CG1 4.45Å; V254-I258 VanDerWaalsContact O-CG1 3.3Å; V254-I258 WeakPolarHBondContact O-CG1 3.41Å; V254-I258 PolarHBondContact O-N 3.36Å; I258-Q260 VanDerWaalsContact C-N 3.33Å
259	A	73.9	Confident	82.1	Confident	81 Å²	81	120.8 Å²	120.8	67%	0.669	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-4.3	179.4	0	0	0	0	0	114.1	L255 R256 S257	L255-A259 PolarHBondContact O-N 2.89Å; R256-A259 PolarHBondContact O-N 2.88Å; S257-A259 PolarHBondContact O-N 3.17Å
260	Q	65.8	Low	81.1	Confident	175 Å²	175	117.3 Å²	117.3	82%	0.818	59%	0.592	S	S	*	*			trans	-109.5	-2.8	179.5	-72.2	-170.8	-41.1	0	0	113.8	R256 S257 I258	R256-Q260 PolarHBondContact O-N 2.99Å; S257-Q260 PolarHBondContact O-N 3.34Å; I258-Q260 VanDerWaalsContact C-N 3.33Å
261	E	52.1	Low	80.4	Confident	228 Å²	228	120.5 Å²	120.5	100%	1.065	60%	0.6	S	S	*	*			trans	-97.2	0	165.7	-69.6	-175	164.2	0	0	110.6

Retrieved 261 of 261 residues in 227.9 ms (Link to these results)

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