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Catalase

Decomposes hydrogen peroxide into water and oxygen; serves to protect cells from the toxic effects of hydrogen peroxide.

AlphaFold DB (Q2FYU7), UniProt , Accession Q99UE2, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene katA, Length 505 aa.

Structure Viewer

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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	44.1	Very low	75	Confident	240 Å²	240	128.9 Å²	128.9	100%	1.182	65%	0.652	S	S	*	*				0	129.4	0	-70.7	173.1	-174.3	0	0	106.7	Q3	M1-Q3 PolarHBondContact O-N 3.47Å
2	S	45.3	Very low	76.4	Confident	96 Å²	96	133.6 Å²	133.6	67%	0.671	67%	0.665	S	S	*	*			trans	-55.7	136.6	175.2	47.4	0	0	0	0	108.9	Q4	S2-Q4 PolarHBondContact O-N 3.4Å
3	Q	59	Low	77.7	Confident	198 Å²	198	127 Å²	127	93%	0.925	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	21.4	178.3	-78.1	179.3	-16.5	0	0	114	M1	M1-Q3 PolarHBondContact O-N 3.47Å
4	Q	58.4	Low	78.8	Confident	169 Å²	169	121.8 Å²	121.8	79%	0.79	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-8.7	-168.5	-91.9	179.7	-23.1	0	0	115.7	S2	S2-Q4 PolarHBondContact O-N 3.4Å
5	D	68.5	Low	79.8	Confident	115 Å²	115	121.1 Å²	121.1	62%	0.615	63%	0.63	S	S	*	*			trans	-111.1	93.9	173.7	-110.8	-13.1	0	0	0	109.8	K7	D5-K7 HydrophobicContact CB-CD 4.32Å; D5-K7 HydrophobicContact CB-CG 4.39Å; D5-K7 PolarHBondContact O-N 2.77Å; D5-K7 IonicContact OD1-NZ 3.62Å; D5-K7 WeakPolarHBondContact OD2-CE 3.34Å; D5-K7 IonicContact OD2-NZ 3.69Å; D5-K7 PolarHBondContact OD2-NZ 2.86Å
6	K	84.7	Confident	80.8	Confident	210 Å²	210	115.3 Å²	115.3	91%	0.913	60%	0.602	S	S	*	*			trans	-72.1	40.7	175.8	-64.7	-175.4	178.2	-177.1	0	112.5
7	K	93.1	Very high	81.6	Confident	144 Å²	144	116.2 Å²	116.2	63%	0.626	62%	0.62	S	S	*	*			trans	-75.5	138.1	-177.8	-71.8	174	177.5	157.2	0	110.1	D5 T9	D5-K7 HydrophobicContact CB-CD 4.32Å; D5-K7 HydrophobicContact CB-CG 4.39Å; D5-K7 PolarHBondContact O-N 2.77Å; D5-K7 IonicContact OD1-NZ 3.62Å; D5-K7 WeakPolarHBondContact OD2-CE 3.34Å; D5-K7 IonicContact OD2-NZ 3.69Å; D5-K7 PolarHBondContact OD2-NZ 2.86Å; K7-T9 PolarHBondContact O-N 3.44Å
8	L	93.3	Very high	82.4	Confident	83 Å²	83	113.7 Å²	113.7	44%	0.435	61%	0.607	S	S	.	*			trans	-66.9	130.8	178	-178.7	65.8	0	0	0	110.6	V16 R19	L8-V16 HydrophobicContact CB-CB 4.38Å; L8-V16 HydrophobicContact CD2-CB 3.8Å; L8-V16 HydrophobicContact CD2-CG1 3.73Å; L8-V16 HydrophobicContact CD2-CG2 4.16Å; L8-V16 HydrophobicContact CG-CB 3.85Å; L8-V16 HydrophobicContact CG-CG1 4.33Å; L8-V16 HydrophobicContact CG-CG2 3.88Å; L8-V16 PolarHBondContact O-N 2.84Å; L8-R19 HydrophobicContact CD2-CB 3.99Å; L8-R19 HydrophobicContact CD2-CG 4.03Å
9	T	94	Very high	83	Confident	68 Å²	68	115.7 Å²	115.7	42%	0.417	61%	0.605	S	S	.	*	B	Isolated β-bridge	trans	-129.5	158.8	173.7	64.1	0	0	0	0	110	K7 H14	K7-T9 PolarHBondContact O-N 3.44Å; T9-H14 CarbonylContact C-O 3.54Å; T9-H14 WeakPolarHBondContact CA-O 3.43Å; T9-H14 WeakPolarHBondContact CB-O 3.33Å
10	G	92.8	Very high	83.6	Confident	5 Å²	5	118.7 Å²	118.7	5%	0.052	62%	0.616	C	S	.	*			trans	-71.7	175.5	160.5	0	0	0	0	0	112.2	F12 G13 H14 E40	G10-F12 PolarHBondContact O-N 2.74Å; G10-G13 PolarHBondContact O-N 2.78Å; G10-H14 PolarHBondContact N-O 3.04Å; G10-E40 WeakPolarHBondContact CA-OE1 3.46Å
11	V	91.9	Very high	84.3	Confident	90 Å²	90	118 Å²	118	55%	0.545	61%	0.613	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.5	-29.9	-176.9	179.3	0	0	0	0	111.9	G13 E40 Q44	V11-G13 VanDerWaalsContact C-N 3.35Å; V11-E40 HydrophobicContact CB-CG 4.43Å; V11-E40 HydrophobicContact CG2-CG 4.1Å; V11-E40 PolarHBondContact N-OE1 2.91Å; V11-Q44 HydrophobicContact CG2-CG 4.25Å
12	F	92.2	Very high	86.8	Confident	185 Å²	185	109.3 Å²	109.3	81%	0.811	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	14.9	174.5	-59.2	-77.2	0	0	0	114.1	G10 H14 E40	G10-F12 PolarHBondContact O-N 2.74Å; F12-H14 PolarHBondContact O-N 3.44Å; F12-E40 WeakPolarHBondContact CD2-OE2 3.37Å
13	G	92.6	Very high	89.3	Confident	48 Å²	48	108.9 Å²	108.9	50%	0.495	56%	0.564	S	S	.	*	S	Bend	trans	79.5	8.4	172.6	0	0	0	0	0	115.8	G10 V11	G10-G13 PolarHBondContact O-N 2.78Å; V11-G13 VanDerWaalsContact C-N 3.35Å
14	H	92.8	Very high	91.2	Very high	54 Å²	54	102.2 Å²	102.2	25%	0.25	54%	0.537	C	S	.	.	P	Polyproline II helix	trans	-70.4	134.1	172.7	65.5	-91.3	0	0	0	110	T9 G10 F12 E40	T9-H14 CarbonylContact C-O 3.54Å; T9-H14 WeakPolarHBondContact CA-O 3.43Å; T9-H14 WeakPolarHBondContact CB-O 3.33Å; G10-H14 PolarHBondContact N-O 3.04Å; F12-H14 PolarHBondContact O-N 3.44Å; H14-E40 IonicContact CE1-OE1 2.78Å; H14-E40 IonicContact CE1-OE2 3.93Å
15	P	95	Very high	93.1	Very high	112 Å²	112	97 Å²	97	73%	0.727	52%	0.523	S	S	*	.	B	Isolated β-bridge	trans	-60.8	139.8	174.4	-22.8	33.6	0	0	0	111.5
16	V	95.2	Very high	94.5	Very high	28 Å²	28	93.4 Å²	93.4	17%	0.17	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-94.9	120.4	176.4	179.4	0	0	0	0	109.3	L8 D18 Y37	L8-V16 HydrophobicContact CB-CB 4.38Å; L8-V16 HydrophobicContact CD2-CB 3.8Å; L8-V16 HydrophobicContact CD2-CG1 3.73Å; L8-V16 HydrophobicContact CD2-CG2 4.16Å; L8-V16 HydrophobicContact CG-CB 3.85Å; L8-V16 HydrophobicContact CG-CG1 4.33Å; L8-V16 HydrophobicContact CG-CG2 3.88Å; L8-V16 PolarHBondContact O-N 2.84Å; V16-D18 WeakPolarHBondContact CG1-O 3.13Å; V16-Y37 HydrophobicContact CB-CD2 4.4Å; V16-Y37 HydrophobicContact CB-CE2 4.38Å; V16-Y37 HydrophobicContact CG1-CD1 3.88Å; V16-Y37 HydrophobicContact CG1-CD2 4.08Å; V16-Y37 HydrophobicContact CG1-CE1 3.93Å; V16-Y37 HydrophobicContact CG1-CE2 4.1Å; V16-Y37 HydrophobicContact CG1-CG 3.96Å; V16-Y37 HydrophobicContact CG2-CD2 3.4Å; V16-Y37 HydrophobicContact CG2-CE2 3.38Å; V16-Y37 HydrophobicContact CG2-CG 4.09Å
17	S	94	Very high	95.1	Very high	130 Å²	130	90 Å²	90	91%	0.909	51%	0.512	S	S	*	.	S	Bend	trans	-86.6	-28.7	-176.6	56.6	0	0	0	0	114.3
18	D	96.1	Very high	95.3	Very high	72 Å²	72	95.1 Å²	95.1	39%	0.385	53%	0.527	S	S	.	.			trans	-145.7	126.3	178.7	-165.8	-29	0	0	0	109	V16 E20 N21	V16-D18 WeakPolarHBondContact CG1-O 3.13Å; D18-E20 PolarHBondContact OD1-N 2.92Å; D18-N21 PolarHBondContact OD1-N 2.8Å; D18-N21 PolarHBondContact OD1-ND2 3.44Å; D18-N21 WeakPolarHBondContact OD2-CB 3.12Å; D18-N21 PolarHBondContact OD2-ND2 2.92Å
19	R	93.4	Very high	95.5	Very high	151 Å²	151	92.3 Å²	92.3	57%	0.57	52%	0.519	S	S	*	.	S	Bend	trans	-104.6	-17.6	-179.9	177	54.9	-176.4	105.8	-11.2	112.5	L8 Y37	L8-R19 HydrophobicContact CD2-CB 3.99Å; L8-R19 HydrophobicContact CD2-CG 4.03Å; R19-Y37 VanDerWaalsContact CD-CE1 3.46Å; R19-Y37 VanDerWaalsContact CD-OH 3.28Å; R19-Y37 WeakPolarHBondContact CD-OH 3.4Å; R19-Y37 PolarHBondContact NE-OH 2.8Å
20	E	96.1	Very high	95.7	Very high	176 Å²	176	93.7 Å²	93.7	82%	0.822	53%	0.529	S	S	*	.	S	Bend	trans	-102.9	-26.9	-168	-63.3	-173.6	168.8	0	0	111.7	D18	D18-E20 PolarHBondContact OD1-N 2.92Å
21	N	97.4	Very high	95.9	Very high	105 Å²	105	97.4 Å²	97.4	56%	0.561	55%	0.547	S	S	*	.			trans	-119.9	124.4	-176.8	-50.1	-82	0	0	0	111.4	D18	D18-N21 PolarHBondContact OD1-N 2.8Å; D18-N21 PolarHBondContact OD1-ND2 3.44Å; D18-N21 WeakPolarHBondContact OD2-CB 3.12Å; D18-N21 PolarHBondContact OD2-ND2 2.92Å
22	S	97.2	Very high	96.2	Very high	57 Å²	57	95.7 Å²	95.7	40%	0.399	54%	0.535	S	S	.	.			trans	-74.3	156.1	168.2	-55.6	0	0	0	0	111.7	T24 D35	S22-T24 PolarHBondContact O-N 3.02Å; S22-D35 WeakPolarHBondContact CA-OD2 3.31Å; S22-D35 VanDerWaalsContact CB-OD2 3.28Å; S22-D35 WeakPolarHBondContact CB-OD2 3.15Å
23	M	98.1	Very high	96.5	Very high	86 Å²	86	94.3 Å²	94.3	42%	0.424	53%	0.532	S	S	.	.			trans	-75.2	119.9	179.7	-165.5	-176.8	-68.5	0	0	111.7	L32 Q34 D35	M23-L32 HydrophobicContact CG-CB 4.44Å; M23-L32 HydrophobicContact CG-CD1 4.02Å; M23-L32 PolarHBondContact O-N 3.13Å; M23-L32 HydrophobicContact SD-CD1 4.09Å; M23-Q34 HydrophobicContact CE-CG 4.48Å; M23-Q34 HydrophobicContact SD-CG 3.49Å; M23-Q34 WeakPolarHBondContact SD-CG 3.45Å; M23-Q34 PolarHBondContact SD-NE2 3.24Å; M23-D35 HydrophobicContact CB-CB 3.98Å; M23-D35 PolarHBondContact N-OD2 2.85Å
24	T	98.5	Very high	96.7	Very high	58 Å²	58	98.2 Å²	98.2	36%	0.356	54%	0.538	S	S	.	.	B	Isolated β-bridge	trans	-125.1	158.4	-178.3	61.4	0	0	0	0	113.5	S22 G26 P30	S22-T24 PolarHBondContact O-N 3.02Å; T24-G26 WeakPolarHBondContact CB-O 3.24Å; T24-G26 PolarHBondContact O-N 2.77Å; T24-G26 PolarHBondContact OG1-O 3.17Å; T24-P30 CarbonylContact C-O 3.57Å; T24-P30 VanDerWaalsContact CA-O 3.24Å; T24-P30 WeakPolarHBondContact CA-O 2.79Å; T24-P30 WeakPolarHBondContact CB-O 3.34Å
25	A	98.1	Very high	96.9	Very high	61 Å²	61	96.5 Å²	96.5	50%	0.504	53%	0.531	S	S	.	.	S	Bend	trans	-75.8	68.2	170.5	0	0	0	0	0	111.9	G29 P30 L32	A25-G29 WeakPolarHBondContact O-CA 3.29Å; A25-P30 HydrophobicContact CB-CG 4.18Å; A25-P30 PolarHBondContact N-O 2.64Å; A25-L32 HydrophobicContact CB-CD2 4.11Å
26	G	97.7	Very high	96.9	Very high	38 Å²	38	96.5 Å²	96.5	39%	0.392	52%	0.523	S	S	.	.	S	Bend	trans	91.2	167.7	-173.5	0	0	0	0	0	113	T24 R28 G29	T24-G26 WeakPolarHBondContact CB-O 3.24Å; T24-G26 PolarHBondContact O-N 2.77Å; T24-G26 PolarHBondContact OG1-O 3.17Å; G26-R28 PolarHBondContact O-N 3.1Å; G26-G29 PolarHBondContact O-N 2.86Å
27	P	97.2	Very high	96.9	Very high	139 Å²	139	96.2 Å²	96.2	90%	0.903	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.4	-166.8	-25.2	34.5	0	0	0	116
28	R	96.9	Very high	97	Very high	251 Å²	251	93.4 Å²	93.4	95%	0.947	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	18.6	176	-62.9	-171.6	176.1	-174.3	-1	112.2	G26	G26-R28 PolarHBondContact O-N 3.1Å
29	G	97.6	Very high	97	Very high	25 Å²	25	93.4 Å²	93.4	26%	0.258	49%	0.49	S	S	.	.	S	Bend	trans	-83.9	173.5	-179.2	0	0	0	0	0	112.8	A25 G26	A25-G29 WeakPolarHBondContact O-CA 3.29Å; G26-G29 PolarHBondContact O-N 2.86Å
30	P	98.1	Very high	97.1	Very high	96 Å²	96	87.3 Å²	87.3	62%	0.623	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-62.8	153.4	173.2	28	-36.8	0	0	0	112.2	T24 A25	T24-P30 CarbonylContact C-O 3.57Å; T24-P30 VanDerWaalsContact CA-O 3.24Å; T24-P30 WeakPolarHBondContact CA-O 2.79Å; T24-P30 WeakPolarHBondContact CB-O 3.34Å; A25-P30 HydrophobicContact CB-CG 4.18Å; A25-P30 PolarHBondContact N-O 2.64Å
31	L	97.9	Very high	97.1	Very high	84 Å²	84	82 Å²	82	44%	0.44	44%	0.444	S	S	.	.	B	Isolated β-bridge	trans	-59.8	140	168.1	-179.1	70	0	0	0	110.6	F38	L31-F38 HydrophobicContact CD2-CD1 4.07Å; L31-F38 HydrophobicContact CD2-CE1 3.7Å; L31-F38 HydrophobicContact CD2-CZ 4.15Å
32	L	98.3	Very high	97	Very high	54 Å²	54	80.3 Å²	80.3	28%	0.283	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-96.9	134.7	174.5	-58.5	-174.6	0	0	0	110.6	M23 A25 Q34 D35	M23-L32 HydrophobicContact CG-CB 4.44Å; M23-L32 HydrophobicContact CG-CD1 4.02Å; M23-L32 PolarHBondContact O-N 3.13Å; M23-L32 HydrophobicContact SD-CD1 4.09Å; A25-L32 HydrophobicContact CB-CD2 4.11Å; L32-Q34 HydrophobicContact CB-CG 4.09Å; L32-Q34 PolarHBondContact O-N 2.74Å; L32-D35 PolarHBondContact O-N 3.09Å
33	M	98	Very high	97.1	Very high	155 Å²	155	79.8 Å²	79.8	76%	0.764	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-18.8	176.9	-172	62.1	73.4	0	0	113.4	D35 L39	M33-D35 PolarHBondContact O-N 2.82Å; M33-L39 WeakPolarHBondContact O-CD1 3.49Å; M33-L39 HydrophobicContact SD-CD1 4.04Å; M33-L39 HydrophobicContact SD-CD2 4.09Å
34	Q	97.3	Very high	97	Very high	130 Å²	130	80.6 Å²	80.6	61%	0.607	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	6.8	-179.4	74	-172	24.2	0	0	114	M23 L32 I36	M23-Q34 HydrophobicContact CE-CG 4.48Å; M23-Q34 HydrophobicContact SD-CG 3.49Å; M23-Q34 WeakPolarHBondContact SD-CG 3.45Å; M23-Q34 PolarHBondContact SD-NE2 3.24Å; L32-Q34 HydrophobicContact CB-CG 4.09Å; L32-Q34 PolarHBondContact O-N 2.74Å; Q34-I36 VanDerWaalsContact C-N 3.28Å; Q34-I36 PolarHBondContact O-N 3.16Å
35	D	97	Very high	96.9	Very high	19 Å²	19	83.6 Å²	83.6	10%	0.102	44%	0.441	C	S	.	.			trans	-75	79	169.9	-166.8	-19.9	0	0	0	111	S22 M23 L32 M33 Y37 F38 L39	S22-D35 WeakPolarHBondContact CA-OD2 3.31Å; S22-D35 VanDerWaalsContact CB-OD2 3.28Å; S22-D35 WeakPolarHBondContact CB-OD2 3.15Å; M23-D35 HydrophobicContact CB-CB 3.98Å; M23-D35 PolarHBondContact N-OD2 2.85Å; L32-D35 PolarHBondContact O-N 3.09Å; M33-D35 PolarHBondContact O-N 2.82Å; D35-Y37 VanDerWaalsContact C-N 3.26Å; D35-Y37 PolarHBondContact O-N 2.95Å; D35-F38 HydrophobicContact CB-CB 4Å; D35-F38 VanDerWaalsContact CG-CB 3.4Å; D35-F38 PolarHBondContact O-N 3.06Å; D35-F38 WeakPolarHBondContact OD1-CB 3.42Å; D35-F38 PolarHBondContact OD1-N 3.26Å; D35-F38 VanDerWaalsContact OD1-N 3.17Å; D35-L39 WeakPolarHBondContact O-CG 3.35Å; D35-L39 PolarHBondContact O-N 3.26Å
36	I	95	Very high	97	Very high	112 Å²	112	85.7 Å²	85.7	57%	0.574	44%	0.443	S	S	*	.	H	α-helix	trans	-61.7	-32.3	-172.9	61.8	174.6	0	0	0	113.2	Q34 E40	Q34-I36 VanDerWaalsContact C-N 3.28Å; Q34-I36 PolarHBondContact O-N 3.16Å; I36-E40 VanDerWaalsContact O-CB 3.29Å; I36-E40 WeakPolarHBondContact O-CB 3.35Å; I36-E40 PolarHBondContact O-N 3.02Å
37	Y	95.4	Very high	97	Very high	22 Å²	22	92.5 Å²	92.5	9%	0.086	46%	0.457	C	S	.	.	H	α-helix	trans	-74	-42.4	-179.3	177.7	-105.8	0	0	0	110.7	V16 R19 D35 L39 E40 Q41	V16-Y37 HydrophobicContact CB-CD2 4.4Å; V16-Y37 HydrophobicContact CB-CE2 4.38Å; V16-Y37 HydrophobicContact CG1-CD1 3.88Å; V16-Y37 HydrophobicContact CG1-CD2 4.08Å; V16-Y37 HydrophobicContact CG1-CE1 3.93Å; V16-Y37 HydrophobicContact CG1-CE2 4.1Å; V16-Y37 HydrophobicContact CG1-CG 3.96Å; V16-Y37 HydrophobicContact CG2-CD2 3.4Å; V16-Y37 HydrophobicContact CG2-CE2 3.38Å; V16-Y37 HydrophobicContact CG2-CG 4.09Å; R19-Y37 VanDerWaalsContact CD-CE1 3.46Å; R19-Y37 VanDerWaalsContact CD-OH 3.28Å; R19-Y37 WeakPolarHBondContact CD-OH 3.4Å; R19-Y37 PolarHBondContact NE-OH 2.8Å; D35-Y37 VanDerWaalsContact C-N 3.26Å; D35-Y37 PolarHBondContact O-N 2.95Å; Y37-L39 PolarHBondContact O-N 3.44Å; Y37-E40 PolarHBondContact O-N 3.26Å; Y37-Q41 HydrophobicContact CD1-CG 4.31Å; Y37-Q41 HydrophobicContact CD2-CG 4.13Å; Y37-Q41 HydrophobicContact CE1-CG 3.82Å; Y37-Q41 HydrophobicContact CE2-CG 3.64Å; Y37-Q41 HydrophobicContact CG-CG 4.45Å; Y37-Q41 VanDerWaalsContact CZ-CG 3.46Å; Y37-Q41 VanDerWaalsContact CZ-NE2 3.35Å; Y37-Q41 WeakPolarHBondContact O-CB 3.18Å; Y37-Q41 VanDerWaalsContact O-CG 3.27Å; Y37-Q41 WeakPolarHBondContact O-CG 3.37Å; Y37-Q41 PolarHBondContact O-N 2.81Å; Y37-Q41 PolarHBondContact OH-NE2 3.19Å
38	F	96.3	Very high	97.1	Very high	71 Å²	71	91.7 Å²	91.7	31%	0.311	44%	0.441	S	S	.	.	H	α-helix	trans	-56.6	-49.8	171.2	168.9	-100.3	0	0	0	111.5	L31 D35 E40 Q41 M42	L31-F38 HydrophobicContact CD2-CD1 4.07Å; L31-F38 HydrophobicContact CD2-CE1 3.7Å; L31-F38 HydrophobicContact CD2-CZ 4.15Å; D35-F38 HydrophobicContact CB-CB 4Å; D35-F38 VanDerWaalsContact CG-CB 3.4Å; D35-F38 PolarHBondContact O-N 3.06Å; D35-F38 WeakPolarHBondContact OD1-CB 3.42Å; D35-F38 PolarHBondContact OD1-N 3.26Å; D35-F38 VanDerWaalsContact OD1-N 3.17Å; F38-E40 PolarHBondContact O-N 3.02Å; F38-Q41 PolarHBondContact O-N 2.65Å; F38-M42 HydrophobicContact CD2-CG 4.02Å; F38-M42 HydrophobicContact CE1-CG 4.33Å; F38-M42 HydrophobicContact CE2-CG 3.56Å; F38-M42 HydrophobicContact CE2-SD 4.23Å; F38-M42 HydrophobicContact CZ-CG 3.74Å; F38-M42 WeakPolarHBondContact O-CG 3.41Å; F38-M42 PolarHBondContact O-N 2.97Å
39	L	96.2	Very high	97.1	Very high	71 Å²	71	85.1 Å²	85.1	37%	0.372	43%	0.429	S	S	.	.	H	α-helix	trans	-60.6	-44.8	-179.9	-68.2	-177.6	0	0	0	112.2	M33 D35 Y37 S43	M33-L39 WeakPolarHBondContact O-CD1 3.49Å; M33-L39 HydrophobicContact SD-CD1 4.04Å; M33-L39 HydrophobicContact SD-CD2 4.09Å; D35-L39 WeakPolarHBondContact O-CG 3.35Å; D35-L39 PolarHBondContact O-N 3.26Å; Y37-L39 PolarHBondContact O-N 3.44Å; L39-S43 VanDerWaalsContact O-CB 3.25Å; L39-S43 WeakPolarHBondContact O-CB 3.46Å; L39-S43 PolarHBondContact O-N 2.86Å; L39-S43 PolarHBondContact O-OG 2.93Å
40	E	95.9	Very high	97.2	Very high	24 Å²	24	85.7 Å²	85.7	11%	0.112	43%	0.426	C	S	.	.	H	α-helix	trans	-61.7	-49.9	179	-171.1	-174.9	85.5	0	0	111.4	G10 V11 F12 H14 I36 Y37 F38 S43 Q44	G10-E40 WeakPolarHBondContact CA-OE1 3.46Å; V11-E40 HydrophobicContact CB-CG 4.43Å; V11-E40 HydrophobicContact CG2-CG 4.1Å; V11-E40 PolarHBondContact N-OE1 2.91Å; F12-E40 WeakPolarHBondContact CD2-OE2 3.37Å; H14-E40 IonicContact CE1-OE1 2.78Å; H14-E40 IonicContact CE1-OE2 3.93Å; I36-E40 VanDerWaalsContact O-CB 3.29Å; I36-E40 WeakPolarHBondContact O-CB 3.35Å; I36-E40 PolarHBondContact O-N 3.02Å; Y37-E40 PolarHBondContact O-N 3.26Å; F38-E40 PolarHBondContact O-N 3.02Å; E40-S43 PolarHBondContact O-N 2.99Å; E40-S43 PolarHBondContact O-OG 2.88Å; E40-Q44 WeakPolarHBondContact O-CG 3.19Å; E40-Q44 PolarHBondContact O-N 3.5Å; E40-Q44 VanDerWaalsContact O-N 3.12Å
41	Q	94.5	Very high	97.2	Very high	64 Å²	64	83.7 Å²	83.7	30%	0.299	41%	0.413	S	S	.	.	H	α-helix	trans	-59.6	-49	179.8	-72.3	-68.3	-28.4	0	0	112.3	Y37 F38 S43 Q44 F45	Y37-Q41 HydrophobicContact CD1-CG 4.31Å; Y37-Q41 HydrophobicContact CD2-CG 4.13Å; Y37-Q41 HydrophobicContact CE1-CG 3.82Å; Y37-Q41 HydrophobicContact CE2-CG 3.64Å; Y37-Q41 HydrophobicContact CG-CG 4.45Å; Y37-Q41 VanDerWaalsContact CZ-CG 3.46Å; Y37-Q41 VanDerWaalsContact CZ-NE2 3.35Å; Y37-Q41 WeakPolarHBondContact O-CB 3.18Å; Y37-Q41 VanDerWaalsContact O-CG 3.27Å; Y37-Q41 WeakPolarHBondContact O-CG 3.37Å; Y37-Q41 PolarHBondContact O-N 2.81Å; Y37-Q41 PolarHBondContact OH-NE2 3.19Å; F38-Q41 PolarHBondContact O-N 2.65Å; Q41-S43 VanDerWaalsContact C-N 3.33Å; Q41-S43 PolarHBondContact O-N 3.07Å; Q41-Q44 PolarHBondContact O-N 3.21Å; Q41-F45 WeakPolarHBondContact O-CB 3.29Å; Q41-F45 PolarHBondContact O-N 2.76Å
42	M	96.8	Very high	97.3	Very high	70 Å²	70	82.3 Å²	82.3	35%	0.345	40%	0.404	S	S	.	.	H	α-helix	trans	-63	-41.6	178.2	-68.3	-53.4	-53.4	0	0	111.2	F38 Q44 F45 D46	F38-M42 HydrophobicContact CD2-CG 4.02Å; F38-M42 HydrophobicContact CE1-CG 4.33Å; F38-M42 HydrophobicContact CE2-CG 3.56Å; F38-M42 HydrophobicContact CE2-SD 4.23Å; F38-M42 HydrophobicContact CZ-CG 3.74Å; F38-M42 WeakPolarHBondContact O-CG 3.41Å; F38-M42 PolarHBondContact O-N 2.97Å; M42-Q44 VanDerWaalsContact C-N 3.27Å; M42-Q44 PolarHBondContact O-N 2.94Å; M42-F45 HydrophobicContact CE-CD1 3.99Å; M42-F45 PolarHBondContact O-N 3.17Å; M42-D46 WeakPolarHBondContact O-CB 3.3Å; M42-D46 PolarHBondContact O-N 3.08Å
43	S	97.4	Very high	97.3	Very high	46 Å²	46	81 Å²	81	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-62.3	-33	-179.7	76.7	0	0	0	0	113.8	L39 E40 Q41 R47	L39-S43 VanDerWaalsContact O-CB 3.25Å; L39-S43 WeakPolarHBondContact O-CB 3.46Å; L39-S43 PolarHBondContact O-N 2.86Å; L39-S43 PolarHBondContact O-OG 2.93Å; E40-S43 PolarHBondContact O-N 2.99Å; E40-S43 PolarHBondContact O-OG 2.88Å; Q41-S43 VanDerWaalsContact C-N 3.33Å; Q41-S43 PolarHBondContact O-N 3.07Å; S43-R47 PolarHBondContact O-NH1 3.45Å
44	Q	96.6	Very high	97.3	Very high	103 Å²	103	80.2 Å²	80.2	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-76.3	-49.7	175.3	-68	-66.2	-28.7	0	0	111	V11 E40 Q41 M42 D46 R47 E48	V11-Q44 HydrophobicContact CG2-CG 4.25Å; E40-Q44 WeakPolarHBondContact O-CG 3.19Å; E40-Q44 PolarHBondContact O-N 3.5Å; E40-Q44 VanDerWaalsContact O-N 3.12Å; Q41-Q44 PolarHBondContact O-N 3.21Å; M42-Q44 VanDerWaalsContact C-N 3.27Å; M42-Q44 PolarHBondContact O-N 2.94Å; Q44-D46 VanDerWaalsContact C-N 3.31Å; Q44-D46 PolarHBondContact O-N 3.34Å; Q44-R47 CarbonylContact O-C 3.57Å; Q44-R47 PolarHBondContact O-N 2.89Å; Q44-E48 PolarHBondContact O-N 3.2Å
45	F	97.6	Very high	97.4	Very high	121 Å²	121	74.9 Å²	74.9	53%	0.531	36%	0.359	S	S	.	.	H	α-helix	trans	-54.2	-46.8	178	171.4	-106.3	0	0	0	112	Q41 M42 R47 E48	Q41-F45 WeakPolarHBondContact O-CB 3.29Å; Q41-F45 PolarHBondContact O-N 2.76Å; M42-F45 HydrophobicContact CE-CD1 3.99Å; M42-F45 PolarHBondContact O-N 3.17Å; F45-R47 PolarHBondContact O-N 3.03Å; F45-E48 WeakPolarHBondContact O-CG 3.3Å; F45-E48 PolarHBondContact O-N 3.07Å
46	D	98.5	Very high	97.5	Very high	104 Å²	104	75.2 Å²	75.2	56%	0.556	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-10.8	179.8	-66.9	-15.5	0	0	0	113.6	M42 Q44	M42-D46 WeakPolarHBondContact O-CB 3.3Å; M42-D46 PolarHBondContact O-N 3.08Å; Q44-D46 VanDerWaalsContact C-N 3.31Å; Q44-D46 PolarHBondContact O-N 3.34Å
47	R	98.4	Very high	97.6	Very high	181 Å²	181	69.9 Å²	69.9	68%	0.683	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	12	-175.9	-69.6	172.5	180	68.1	6.8	113.9	S43 Q44 F45 V49	S43-R47 PolarHBondContact O-NH1 3.45Å; Q44-R47 CarbonylContact O-C 3.57Å; Q44-R47 PolarHBondContact O-N 2.89Å; F45-R47 PolarHBondContact O-N 3.03Å; R47-V49 VanDerWaalsContact C-N 3.27Å; R47-V49 PolarHBondContact O-N 3Å
48	E	98.5	Very high	97.8	Very high	123 Å²	123	69.4 Å²	69.4	58%	0.575	33%	0.331	S	S	*	.			trans	-64.9	-30.2	177.5	-71.8	-179.9	-176.8	0	0	113.1	Q44 F45	Q44-E48 PolarHBondContact O-N 3.2Å; F45-E48 WeakPolarHBondContact O-CG 3.3Å; F45-E48 PolarHBondContact O-N 3.07Å
49	V	98.7	Very high	97.9	Very high	113 Å²	113	66.2 Å²	66.2	69%	0.685	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-87.3	117.2	-174.6	176.6	0	0	0	0	111.5	R47	R47-V49 VanDerWaalsContact C-N 3.27Å; R47-V49 PolarHBondContact O-N 3Å
50	I	98.8	Very high	98.1	Very high	37 Å²	37	63 Å²	63	19%	0.19	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-93.2	162.3	163.7	65.1	166.7	0	0	0	111	E52 F307 E311 Q312 L347	I50-E52 PolarHBondContact O-N 2.94Å; I50-F307 HydrophobicContact CD1-CE2 4.29Å; I50-F307 HydrophobicContact CD1-CZ 4.12Å; I50-F307 HydrophobicContact CG1-CE2 3.99Å; I50-F307 HydrophobicContact CG1-CZ 4.04Å; I50-F307 HydrophobicContact CG2-CZ 4.17Å; I50-E311 HydrophobicContact CD1-CG 4.39Å; I50-Q312 HydrophobicContact CD1-CG 4.21Å; I50-L347 HydrophobicContact CD1-CD2 3.5Å; I50-L347 VanDerWaalsContact CD1-CD2 3.5Å
51	P	98.8	Very high	98.2	Very high	54 Å²	54	61.9 Å²	61.9	35%	0.351	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-56.2	135.7	172.3	-23.7	34.3	0	0	0	111.5	Y345 R346	P51-Y345 HydrophobicContact CB-CE1 4.05Å; P51-Y345 HydrophobicContact CG-CE1 3.95Å; P51-R346 WeakPolarHBondContact O-CD 3.46Å; P51-R346 VanDerWaalsContact O-CG 3.22Å; P51-R346 WeakPolarHBondContact O-CG 3.38Å
52	E	98.8	Very high	98.4	Very high	55 Å²	55	58.9 Å²	58.9	26%	0.257	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-67.4	166.8	169.6	67	174.6	-135.1	0	0	111.4	I50 R54 A57 E100 R101	I50-E52 PolarHBondContact O-N 2.94Å; E52-R54 PolarHBondContact O-N 3.1Å; E52-A57 HydrophobicContact CB-CB 4.01Å; E52-A57 HydrophobicContact CG-CB 4.1Å; E52-A57 WeakPolarHBondContact OE1-CB 3.22Å; E52-E100 WeakPolarHBondContact OE1-CG 3.21Å; E52-R101 HydrophobicContact CB-CG 3.7Å; E52-R101 WeakPolarHBondContact OE2-CG 3.48Å; E52-R101 PolarHBondContact OE2-N 3.39Å
53	R	98.8	Very high	98.5	Very high	25 Å²	25	55.8 Å²	55.8	9%	0.094	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-63.6	135.9	170.4	-63.2	173	177.2	73.8	-4.6	109.9	M55 R93 V310 E311 A313	R53-M55 WeakPolarHBondContact CB-O 3.46Å; R53-M55 PolarHBondContact O-N 2.8Å; R53-M55 VanDerWaalsContact O-N 3.14Å; R53-R93 VanDerWaalsContact CZ-CZ 3.48Å; R53-V310 PolarHBondContact NH2-O 3.23Å; R53-E311 PolarHBondContact NH1-O 3.13Å; R53-E311 IonicContact NH1-OE1 2.71Å; R53-E311 IonicContact NH1-OE2 3.2Å; R53-E311 PolarHBondContact NH2-O 2.96Å; R53-A313 PolarHBondContact NH2-O 3.46Å
54	R	98.5	Very high	98.6	Very high	140 Å²	140	53.7 Å²	53.7	53%	0.528	25%	0.253	S	S	.	.	S	Bend	trans	-59.7	-27.4	179.7	-174.9	63.1	-128.5	155.3	2	113.5	E52 N146 K150	E52-R54 PolarHBondContact O-N 3.1Å; R54-N146 PolarHBondContact NE-ND2 2.82Å; R54-N146 PolarHBondContact NE-OD1 3.25Å; R54-N146 VanDerWaalsContact NE-OD1 3.16Å; R54-N146 PolarHBondContact NH2-OD1 3.16Å; R54-N146 PolarHBondContact O-ND2 3.24Å; R54-N146 VanDerWaalsContact O-ND2 3.08Å; R54-K150 WeakPolarHBondContact O-CE 3.39Å
55	M	98.5	Very high	98.7	Very high	17 Å²	17	50.6 Å²	50.6	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-135.8	152.5	170.2	-69.2	-71.8	-95.3	0	0	107.6	R53 V97 F142 L145 N146	R53-M55 WeakPolarHBondContact CB-O 3.46Å; R53-M55 PolarHBondContact O-N 2.8Å; R53-M55 VanDerWaalsContact O-N 3.14Å; M55-V97 HydrophobicContact CE-CG1 3.32Å; M55-V97 HydrophobicContact SD-CG1 4.11Å; M55-F142 HydrophobicContact CE-CE1 4.36Å; M55-F142 HydrophobicContact CE-CZ 3.98Å; M55-F142 HydrophobicContact CG-CE1 3.88Å; M55-F142 HydrophobicContact CG-CZ 4.05Å; M55-L145 HydrophobicContact CE-CD2 4.39Å; M55-N146 WeakPolarHBondContact CG-ND2 3.4Å; M55-N146 HydrophobicContact SD-CB 4.17Å; M55-N146 PolarHBondContact SD-ND2 2.87Å
56	H	98.8	Very high	98.8	Very high	26 Å²	26	44.9 Å²	44.9	12%	0.12	22%	0.216	C	C	.	.			trans	62	41.3	179.7	-57.4	-101.4	0	0	0	114.6	R93 S95 T96 V97	H56-R93 PolarHBondContact O-NH1 2.93Å; H56-R93 PolarHBondContact O-NH2 2.95Å; H56-S95 WeakPolarHBondContact CB-OG 3.44Å; H56-S95 PolarHBondContact ND1-OG 3.11Å; H56-S95 VanDerWaalsContact ND1-OG 3.14Å; H56-T96 WeakPolarHBondContact CA-O 3.21Å; H56-T96 WeakPolarHBondContact CB-O 3.49Å; H56-T96 PolarHBondContact ND1-O 3.28Å; H56-V97 VanDerWaalsContact CE1-CG2 3.42Å; H56-V97 WeakPolarHBondContact CE1-CG2 3.44Å; H56-V97 PolarHBondContact N-O 3.38Å
57	A	98.8	Very high	98.8	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.008	20%	0.199	C	C	.	.			trans	-68.3	-49.6	-178	0	0	0	0	0	112.3	E52 R93	E52-A57 HydrophobicContact CB-CB 4.01Å; E52-A57 HydrophobicContact CG-CB 4.1Å; E52-A57 WeakPolarHBondContact OE1-CB 3.22Å; A57-R93 PolarHBondContact O-NH2 2.78Å
58	K	98.9	Very high	98.8	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.052	17%	0.167	C	C	.	.	S	Bend	trans	-75.5	127.5	174.7	-171.4	71.9	-172.3	-69.7	0	110.8	S95 T96 R101 A103 D105 R239 D240	K58-S95 WeakPolarHBondContact O-CA 3.38Å; K58-S95 WeakPolarHBondContact O-CB 3.46Å; K58-T96 PolarHBondContact O-N 3.26Å; K58-R101 WeakPolarHBondContact CD-O 3.02Å; K58-A103 WeakPolarHBondContact CD-O 3.4Å; K58-A103 PolarHBondContact NZ-O 2.88Å; K58-D105 WeakPolarHBondContact CE-OD1 3.25Å; K58-D105 VanDerWaalsContact CG-OD1 3.23Å; K58-D105 WeakPolarHBondContact CG-OD1 3.42Å; K58-D105 IonicContact NZ-OD1 2.75Å; K58-D105 PolarHBondContact NZ-OD1 2.87Å; K58-R239 PolarHBondContact NZ-O 3.43Å; K58-D240 VanDerWaalsContact CE-OD1 3.26Å; K58-D240 WeakPolarHBondContact CE-OD1 3.34Å; K58-D240 IonicContact NZ-OD1 3.15Å; K58-D240 PolarHBondContact NZ-OD1 2.82Å
59	G	98.8	Very high	98.8	Very high	4 Å²	4	28.9 Å²	28.9	4%	0.041	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	177.7	179.1	0	0	0	0	0	114.4	F94 Y306	G59-F94 CarbonylContact C-O 3.55Å; G59-F94 WeakPolarHBondContact CA-O 3.26Å; G59-Y306 PolarHBondContact O-OH 3.42Å
60	S	98.9	Very high	98.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	144.6	-174.6	-55	0	0	0	0	108.7	R93 F94 Q243	S60-R93 CarbonylContact O-C 3.58Å; S60-R93 WeakPolarHBondContact O-CA 3.49Å; S60-F94 PolarHBondContact N-O 3.17Å; S60-F94 PolarHBondContact O-N 3.38Å; S60-Q243 VanDerWaalsContact CA-OE1 3.31Å; S60-Q243 VanDerWaalsContact OG-CA 3.26Å; S60-Q243 WeakPolarHBondContact OG-CA 3.24Å; S60-Q243 WeakPolarHBondContact OG-CB 3.22Å; S60-Q243 PolarHBondContact OG-OE1 2.98Å
61	G	98.9	Very high	98.8	Very high	2 Å²	2	31.2 Å²	31.2	2%	0.021	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.3	-178	0	0	0	0	0	113	A92 P303	G61-A92 CarbonylContact C-O 3.5Å; G61-A92 WeakPolarHBondContact CA-O 3.18Å; G61-P303 VanDerWaalsContact O-CD 3.26Å; G61-P303 WeakPolarHBondContact O-CD 3.49Å; G61-P303 WeakPolarHBondContact O-CG 3.41Å
62	A	98.9	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.1	178.3	0	0	0	0	0	110.6	F91 A92 L246 I250 L299	A62-F91 VanDerWaalsContact O-CD2 3.31Å; A62-F91 WeakPolarHBondContact O-CD2 3.41Å; A62-A92 PolarHBondContact N-O 3.48Å; A62-A92 PolarHBondContact O-N 2.94Å; A62-L246 HydrophobicContact CB-CD2 4.39Å; A62-I250 HydrophobicContact CB-CD1 3.5Å; A62-I250 VanDerWaalsContact CB-CD1 3.5Å; A62-L299 HydrophobicContact CB-CB 4.18Å; A62-L299 HydrophobicContact CB-CD1 4.27Å
63	F	98.9	Very high	98.8	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	157.1	170.4	-65.5	-87.1	0	0	0	110.4	M90 F91 L299 N300 R301 P303 D309 V356	F63-M90 WeakPolarHBondContact CA-O 3.29Å; F63-F91 HydrophobicContact CD1-CB 3.99Å; F63-F91 AromaticContact CD1-CD2 3.66Å; F63-F91 HydrophobicContact CD1-CD2 3.66Å; F63-F91 HydrophobicContact CD1-CG 4.27Å; F63-F91 HydrophobicContact CD2-CD2 4.02Å; F63-F91 HydrophobicContact CD2-CE2 4.32Å; F63-F91 HydrophobicContact CE1-CB 4.08Å; F63-F91 AromaticContact CE1-CD2 3.62Å; F63-F91 HydrophobicContact CE1-CD2 3.62Å; F63-F91 HydrophobicContact CE1-CE2 4.43Å; F63-F91 HydrophobicContact CE1-CG 4.14Å; F63-F91 HydrophobicContact CE2-CD2 4Å; F63-F91 HydrophobicContact CE2-CE2 4.12Å; F63-F91 AromaticContact CG-CD2 3.86Å; F63-F91 HydrophobicContact CG-CD2 3.86Å; F63-F91 AromaticContact CZ-CD2 3.8Å; F63-F91 HydrophobicContact CZ-CD2 3.8Å; F63-F91 HydrophobicContact CZ-CE2 4.17Å; F63-L299 CarbonylContact O-C 3.54Å; F63-L299 WeakPolarHBondContact O-CA 3.47Å; F63-N300 PolarHBondContact O-N 3.4Å; F63-R301 HydrophobicContact CB-CB 4.2Å; F63-R301 VanDerWaalsContact CD1-NH2 3.35Å; F63-R301 VanDerWaalsContact CD2-NH1 3.26Å; F63-R301 PolarHBondContact N-O 2.91Å; F63-R301 PolarHBondContact O-N 2.72Å; F63-P303 HydrophobicContact CD2-CG 4.33Å; F63-P303 HydrophobicContact CE2-CB 4.04Å; F63-P303 HydrophobicContact CE2-CG 4.15Å; F63-D309 HydrophobicContact CE2-CB 4.18Å; F63-D309 HydrophobicContact CZ-CB 4.17Å; F63-V356 HydrophobicContact CE1-CG2 4.26Å; F63-V356 HydrophobicContact CZ-CG2 4.18Å
64	G	98.9	Very high	98.8	Very high	2 Å²	2	33.5 Å²	33.5	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	-170.6	-178.3	0	0	0	0	0	113	M90 E298	G64-M90 PolarHBondContact N-O 2.87Å; G64-M90 PolarHBondContact O-N 3.48Å; G64-E298 CarbonylContact C-O 3.55Å; G64-E298 WeakPolarHBondContact CA-O 3.44Å
65	T	98.9	Very high	98.8	Very high	37 Å²	37	29 Å²	29	23%	0.227	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.1	177.1	-62.2	0	0	0	0	109.8	Q87 F297 E298	T65-Q87 HydrophobicContact CG2-CB 3.81Å; T65-Q87 HydrophobicContact CG2-CG 4.1Å; T65-F297 VanDerWaalsContact O-CA 3.29Å; T65-F297 WeakPolarHBondContact O-CA 3.12Å; T65-E298 PolarHBondContact N-O 3.18Å; T65-E298 PolarHBondContact O-N 3.12Å; T65-E298 VanDerWaalsContact O-N 3.07Å
66	F	98.9	Very high	98.8	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	137.8	168.5	174.1	-101.1	0	0	0	109.7	V68 I80 F81 Q87 T88 M90 F117 M260 V294 E296 F297	F66-V68 HydrophobicContact CE1-CG2 3.84Å; F66-I80 HydrophobicContact CD1-CD1 4Å; F66-I80 HydrophobicContact CD1-CG1 3.98Å; F66-I80 HydrophobicContact CE1-CD1 4.35Å; F66-I80 HydrophobicContact CE1-CG1 4.1Å; F66-F81 AromaticContact CE1-CD1 3.9Å; F66-F81 HydrophobicContact CE1-CD1 3.9Å; F66-F81 AromaticContact CE1-CE1 3.66Å; F66-F81 HydrophobicContact CE1-CE1 3.66Å; F66-F81 HydrophobicContact CZ-CD1 4.1Å; F66-F81 AromaticContact CZ-CE1 3.67Å; F66-F81 HydrophobicContact CZ-CE1 3.67Å; F66-Q87 CarbonylContact O-C 3.52Å; F66-Q87 VanDerWaalsContact O-CA 3.24Å; F66-Q87 WeakPolarHBondContact O-CA 3.38Å; F66-T88 PolarHBondContact N-O 3.25Å; F66-T88 PolarHBondContact O-N 3.21Å; F66-M90 HydrophobicContact CB-SD 4.24Å; F66-F117 HydrophobicContact CB-CD1 4.09Å; F66-F117 HydrophobicContact CB-CE1 3.92Å; F66-F117 HydrophobicContact CD2-CE1 4.33Å; F66-F117 HydrophobicContact CG-CD1 4.45Å; F66-F117 HydrophobicContact CG-CE1 4.08Å; F66-M260 HydrophobicContact CE2-CB 4.07Å; F66-M260 HydrophobicContact CE2-SD 3.73Å; F66-M260 HydrophobicContact CZ-SD 3.87Å; F66-V294 HydrophobicContact CZ-CG1 4.33Å; F66-E296 CarbonylContact C-O 3.55Å; F66-E296 WeakPolarHBondContact CA-O 3.25Å; F66-E296 WeakPolarHBondContact CD2-O 3.23Å; F66-F297 HydrophobicContact CB-CB 4.12Å; F66-F297 HydrophobicContact CD2-CB 4.17Å
67	T	98.9	Very high	98.7	Very high	32 Å²	32	29.4 Å²	29.4	20%	0.196	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.6	177.7	-53.4	0	0	0	0	110	K86 Q87 G295 E296	T67-K86 WeakPolarHBondContact CA-O 3.41Å; T67-Q87 HydrophobicContact CG2-CG 4.19Å; T67-Q87 PolarHBondContact OG1-NE2 2.85Å; T67-G295 CarbonylContact O-C 3.5Å; T67-G295 WeakPolarHBondContact O-CA 3.34Å; T67-E296 PolarHBondContact N-O 3.38Å; T67-E296 PolarHBondContact O-N 3.21Å
68	V	98.9	Very high	98.7	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	129.7	175.2	-177.4	0	0	0	0	110	F66 K70 I80 F81 E83 I84 G85 K86	F66-V68 HydrophobicContact CE1-CG2 3.84Å; V68-K70 VanDerWaalsContact CG1-O 3.29Å; V68-K70 WeakPolarHBondContact CG1-O 3.21Å; V68-I80 WeakPolarHBondContact CG2-O 3.33Å; V68-F81 HydrophobicContact CG2-CD1 4.39Å; V68-E83 VanDerWaalsContact CB-O 3.31Å; V68-E83 WeakPolarHBondContact CB-O 3.38Å; V68-I84 HydrophobicContact CG1-CG1 4.46Å; V68-G85 PolarHBondContact O-N 3.18Å; V68-K86 HydrophobicContact CG2-CB 4.22Å; V68-K86 PolarHBondContact N-O 2.93Å
69	T	98.8	Very high	98.7	Very high	38 Å²	38	32.7 Å²	32.7	23%	0.233	17%	0.165	C	C	.	.			trans	-113	-21.2	178.6	63	0	0	0	0	113	E293 V294 G295 E296	T69-E293 PolarHBondContact OG1-OE1 3Å; T69-V294 PolarHBondContact N-O 2.91Å; T69-G295 WeakPolarHBondContact OG1-CA 3.24Å; T69-G295 PolarHBondContact OG1-N 3.46Å; T69-E296 HydrophobicContact CG2-CG 4.24Å
70	K	98.8	Very high	98.7	Very high	102 Å²	102	32.5 Å²	32.5	44%	0.443	16%	0.163	S	C	.	.	S	Bend	trans	-136.7	151.1	-178.9	-59	-62.8	173.8	-169.1	0	111.5	V68 E293 V294	V68-K70 VanDerWaalsContact CG1-O 3.29Å; V68-K70 WeakPolarHBondContact CG1-O 3.21Å; K70-E293 WeakPolarHBondContact CB-O 3.43Å; K70-E293 WeakPolarHBondContact CE-OE1 3.48Å; K70-E293 HydrophobicContact CG-CB 3.9Å; K70-E293 HydrophobicContact CG-CG 3.97Å; K70-E293 WeakPolarHBondContact CG-O 3.43Å; K70-V294 PolarHBondContact N-O 3.44Å
71	D	98.7	Very high	98.7	Very high	97 Å²	97	32.5 Å²	32.5	52%	0.519	16%	0.163	S	C	.	.			trans	-81.5	121.2	176.1	-179.4	7.6	0	0	0	110.9	T73 I84	D71-T73 VanDerWaalsContact OD1-CB 3.3Å; D71-T73 WeakPolarHBondContact OD1-CB 3.43Å; D71-T73 VanDerWaalsContact OD1-CG2 3.3Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.39Å; D71-T73 PolarHBondContact OD1-N 2.95Å; D71-T73 PolarHBondContact OD1-OG1 3.01Å; D71-I84 HydrophobicContact CB-CD1 4.19Å; D71-I84 HydrophobicContact CB-CG1 4.46Å
72	I	98.7	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.			trans	-123.1	13.8	172.1	63.8	160.4	0	0	0	112.5	K74 Y75 T76 F81 I262 I292 V294	I72-K74 PolarHBondContact O-N 3.16Å; I72-Y75 HydrophobicContact CB-CD2 4.23Å; I72-Y75 PolarHBondContact O-N 2.87Å; I72-T76 HydrophobicContact CD1-CG2 3.86Å; I72-T76 HydrophobicContact CG1-CG2 4.09Å; I72-T76 PolarHBondContact O-N 2.9Å; I72-F81 HydrophobicContact CD1-CB 4.14Å; I72-F81 HydrophobicContact CD1-CD1 4.4Å; I72-F81 HydrophobicContact CD1-CD2 3.85Å; I72-F81 HydrophobicContact CD1-CE2 4.37Å; I72-F81 HydrophobicContact CD1-CG 3.88Å; I72-F81 HydrophobicContact CG1-CB 3.97Å; I72-F81 HydrophobicContact CG1-CG 4.25Å; I72-I262 HydrophobicContact CD1-CD1 4.1Å; I72-I262 HydrophobicContact CG2-CD1 4.22Å; I72-I292 HydrophobicContact CG2-CG2 4.35Å; I72-V294 HydrophobicContact CD1-CB 4.47Å; I72-V294 HydrophobicContact CD1-CG1 3.62Å; I72-V294 HydrophobicContact CD1-CG2 4.05Å; I72-V294 HydrophobicContact CG1-CG1 4.14Å; I72-V294 HydrophobicContact CG2-CG2 4.14Å
73	T	98.5	Very high	98.7	Very high	55 Å²	55	40.5 Å²	40.5	34%	0.337	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-21	-175	59	0	0	0	0	113.5	D71 Y75 T76	D71-T73 VanDerWaalsContact OD1-CB 3.3Å; D71-T73 WeakPolarHBondContact OD1-CB 3.43Å; D71-T73 VanDerWaalsContact OD1-CG2 3.3Å; D71-T73 WeakPolarHBondContact OD1-CG2 3.39Å; D71-T73 PolarHBondContact OD1-N 2.95Å; D71-T73 PolarHBondContact OD1-OG1 3.01Å; T73-Y75 PolarHBondContact O-N 2.94Å; T73-T76 WeakPolarHBondContact CA-O 3.43Å; T73-T76 VanDerWaalsContact O-O 3.12Å
74	K	98.4	Very high	98.6	Very high	127 Å²	127	45.4 Å²	45.4	55%	0.552	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.1	168.7	60.6	168.4	163.1	163.5	0	114.3	I72 N205	I72-K74 PolarHBondContact O-N 3.16Å; K74-N205 WeakPolarHBondContact O-CB 2.98Å; K74-N205 PolarHBondContact O-ND2 3.26Å
75	Y	98.5	Very high	98.6	Very high	45 Å²	45	47.5 Å²	47.5	18%	0.176	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-26.3	-177.3	-58.1	-54.5	0	0	0	113.4	I72 T73 M203 Y204 N205 V211 I262 V264 I292	I72-Y75 HydrophobicContact CB-CD2 4.23Å; I72-Y75 PolarHBondContact O-N 2.87Å; T73-Y75 PolarHBondContact O-N 2.94Å; Y75-M203 WeakPolarHBondContact O-CB 3.2Å; Y75-Y204 CarbonylContact O-C 3.46Å; Y75-Y204 PolarHBondContact O-N 3.14Å; Y75-N205 PolarHBondContact O-N 3.15Å; Y75-V211 HydrophobicContact CD1-CG1 4.3Å; Y75-V211 HydrophobicContact CD1-CG2 4.27Å; Y75-V211 HydrophobicContact CG-CG2 4.49Å; Y75-I262 HydrophobicContact CD2-CD1 4.39Å; Y75-V264 HydrophobicContact CD1-CG1 4Å; Y75-V264 HydrophobicContact CD2-CG2 4.17Å; Y75-V264 HydrophobicContact CE1-CG1 3.86Å; Y75-V264 HydrophobicContact CE2-CG2 4.1Å; Y75-V264 HydrophobicContact CG-CG2 4.45Å; Y75-I292 HydrophobicContact CE2-CD1 4.03Å
76	T	98.7	Very high	98.6	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	25%	0.249	C	C	.	.			trans	-147	141	-171.9	-174.4	0	0	0	0	111.2	I72 T73 A78 F81 M203 Y204 G323	I72-T76 HydrophobicContact CD1-CG2 3.86Å; I72-T76 HydrophobicContact CG1-CG2 4.09Å; I72-T76 PolarHBondContact O-N 2.9Å; T73-T76 WeakPolarHBondContact CA-O 3.43Å; T73-T76 VanDerWaalsContact O-O 3.12Å; T76-A78 WeakPolarHBondContact OG1-CB 3.33Å; T76-A78 PolarHBondContact OG1-N 2.73Å; T76-A78 VanDerWaalsContact OG1-N 3.14Å; T76-F81 HydrophobicContact CG2-CB 4.41Å; T76-F81 HydrophobicContact CG2-CD2 3.81Å; T76-M203 HydrophobicContact CG2-SD 4.08Å; T76-Y204 CarbonylContact C-O 3.55Å; T76-Y204 VanDerWaalsContact CA-O 3.27Å; T76-Y204 WeakPolarHBondContact CA-O 3.33Å; T76-G323 PolarHBondContact OG1-O 3.45Å
77	N	98.1	Very high	98.6	Very high	51 Å²	51	54 Å²	54	27%	0.273	28%	0.278	S	S	.	.			trans	-97.4	14.8	168.1	70.1	-2.4	0	0	0	113.9	K79 Y204 D206 G323	N77-K79 PolarHBondContact O-N 2.95Å; N77-Y204 PolarHBondContact N-O 3.31Å; N77-Y204 PolarHBondContact OD1-O 3.41Å; N77-D206 WeakPolarHBondContact CB-OD1 3.49Å; N77-D206 PolarHBondContact ND2-OD1 3.28Å; N77-G323 WeakPolarHBondContact OD1-CA 3.49Å; N77-G323 PolarHBondContact OD1-N 3.13Å; N77-G323 VanDerWaalsContact OD1-N 3.15Å
78	A	98.6	Very high	98.6	Very high	1 Å²	1	53 Å²	53	1%	0.008	27%	0.272	C	S	.	.			trans	-61.8	122.3	177.9	0	0	0	0	0	111.3	T76 I80 F81 I321 P322 L324	T76-A78 WeakPolarHBondContact OG1-CB 3.33Å; T76-A78 PolarHBondContact OG1-N 2.73Å; T76-A78 VanDerWaalsContact OG1-N 3.14Å; A78-I80 HydrophobicContact CB-CG2 4.2Å; A78-I80 PolarHBondContact O-N 3.2Å; A78-I80 VanDerWaalsContact O-N 3.1Å; A78-F81 HydrophobicContact CB-CD2 4.07Å; A78-F81 HydrophobicContact CB-CE2 4.5Å; A78-F81 PolarHBondContact O-N 3.24Å; A78-I321 HydrophobicContact CB-CD1 4.11Å; A78-P322 WeakPolarHBondContact CA-O 3.37Å; A78-P322 WeakPolarHBondContact CB-O 3.09Å; A78-L324 HydrophobicContact CB-CD2 4.26Å; A78-L324 HydrophobicContact CB-CG 4.06Å
79	K	98.3	Very high	98.6	Very high	81 Å²	81	56.4 Å²	56.4	35%	0.352	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-57.7	-30	-174.1	-73.3	-68	-175.9	-177.4	0	114.6	N77 F81 S82 K86 E120 E121	N77-K79 PolarHBondContact O-N 2.95Å; K79-F81 PolarHBondContact O-N 3.27Å; K79-F81 VanDerWaalsContact O-N 3.13Å; K79-S82 WeakPolarHBondContact O-CB 3.45Å; K79-S82 PolarHBondContact O-N 2.78Å; K79-S82 PolarHBondContact O-OG 3.37Å; K79-S82 VanDerWaalsContact O-OG 3.09Å; K79-K86 WeakPolarHBondContact O-CD 3.13Å; K79-K86 VanDerWaalsContact O-CE 3.29Å; K79-K86 WeakPolarHBondContact O-CE 3.34Å; K79-K86 PolarHBondContact O-NZ 3.45Å; K79-E120 HydrophobicContact CB-CG 3.79Å; K79-E120 HydrophobicContact CG-CG 4.05Å; K79-E121 HydrophobicContact CB-CG 4.41Å; K79-E121 HydrophobicContact CG-CG 3.92Å; K79-E121 VanDerWaalsContact CG-OE1 3.24Å; K79-E121 WeakPolarHBondContact CG-OE1 3.45Å; K79-E121 WeakPolarHBondContact CG-OE2 3.3Å
80	I	98.7	Very high	98.6	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-56.5	-27.5	175.7	-173.9	172.3	0	0	0	112.8	F66 V68 A78 T88 F117 T119 W124 I321	F66-I80 HydrophobicContact CD1-CD1 4Å; F66-I80 HydrophobicContact CD1-CG1 3.98Å; F66-I80 HydrophobicContact CE1-CD1 4.35Å; F66-I80 HydrophobicContact CE1-CG1 4.1Å; V68-I80 WeakPolarHBondContact CG2-O 3.33Å; A78-I80 HydrophobicContact CB-CG2 4.2Å; A78-I80 PolarHBondContact O-N 3.2Å; A78-I80 VanDerWaalsContact O-N 3.1Å; I80-T88 HydrophobicContact CD1-CG2 4.05Å; I80-T88 HydrophobicContact CG1-CG2 4.28Å; I80-F117 HydrophobicContact CD1-CB 3.72Å; I80-F117 HydrophobicContact CD1-CD1 3.7Å; I80-F117 HydrophobicContact CD1-CE1 4.46Å; I80-F117 HydrophobicContact CD1-CG 3.76Å; I80-T119 HydrophobicContact CB-CG2 4.08Å; I80-T119 HydrophobicContact CD1-CG2 4.07Å; I80-T119 HydrophobicContact CG1-CG2 4.47Å; I80-W124 HydrophobicContact CD1-CE3 4.03Å; I80-W124 HydrophobicContact CD1-CZ3 4.2Å; I80-I321 HydrophobicContact CG2-CD1 3.87Å
81	F	98.8	Very high	98.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-107.1	9.1	-178.3	-52.4	-52.4	0	0	0	114.1	F66 V68 I72 T76 A78 K79 E83 W124 M203 M260 V294 L324	F66-F81 AromaticContact CE1-CD1 3.9Å; F66-F81 HydrophobicContact CE1-CD1 3.9Å; F66-F81 AromaticContact CE1-CE1 3.66Å; F66-F81 HydrophobicContact CE1-CE1 3.66Å; F66-F81 HydrophobicContact CZ-CD1 4.1Å; F66-F81 AromaticContact CZ-CE1 3.67Å; F66-F81 HydrophobicContact CZ-CE1 3.67Å; V68-F81 HydrophobicContact CG2-CD1 4.39Å; I72-F81 HydrophobicContact CD1-CB 4.14Å; I72-F81 HydrophobicContact CD1-CD1 4.4Å; I72-F81 HydrophobicContact CD1-CD2 3.85Å; I72-F81 HydrophobicContact CD1-CE2 4.37Å; I72-F81 HydrophobicContact CD1-CG 3.88Å; I72-F81 HydrophobicContact CG1-CB 3.97Å; I72-F81 HydrophobicContact CG1-CG 4.25Å; T76-F81 HydrophobicContact CG2-CB 4.41Å; T76-F81 HydrophobicContact CG2-CD2 3.81Å; A78-F81 HydrophobicContact CB-CD2 4.07Å; A78-F81 HydrophobicContact CB-CE2 4.5Å; A78-F81 PolarHBondContact O-N 3.24Å; K79-F81 PolarHBondContact O-N 3.27Å; K79-F81 VanDerWaalsContact O-N 3.13Å; F81-E83 VanDerWaalsContact C-N 3.28Å; F81-E83 PolarHBondContact O-N 2.95Å; F81-W124 HydrophobicContact CE1-CZ3 4.47Å; F81-W124 HydrophobicContact CE2-CZ3 4.33Å; F81-W124 AromaticContact CZ-CH2 3.92Å; F81-W124 HydrophobicContact CZ-CH2 3.92Å; F81-W124 AromaticContact CZ-CZ3 3.61Å; F81-W124 HydrophobicContact CZ-CZ3 3.61Å; F81-M203 HydrophobicContact CE2-CE 4.41Å; F81-M260 HydrophobicContact CE1-CE 4.12Å; F81-M260 HydrophobicContact CE1-SD 4.02Å; F81-M260 HydrophobicContact CZ-CE 3.75Å; F81-M260 HydrophobicContact CZ-SD 4.23Å; F81-V294 HydrophobicContact CD1-CG1 3.63Å; F81-V294 HydrophobicContact CE1-CG1 3.72Å; F81-V294 HydrophobicContact CG-CG1 4.34Å; F81-V294 HydrophobicContact CZ-CG1 4.48Å; F81-L324 HydrophobicContact CE2-CD2 4.38Å
82	S	98.4	Very high	98.6	Very high	39 Å²	39	45.1 Å²	45.1	27%	0.273	23%	0.23	S	C	.	.	S	Bend	trans	-66.1	-26.7	-167	65.4	0	0	0	0	114.7	K79 K86	K79-S82 WeakPolarHBondContact O-CB 3.45Å; K79-S82 PolarHBondContact O-N 2.78Å; K79-S82 PolarHBondContact O-OG 3.37Å; K79-S82 VanDerWaalsContact O-OG 3.09Å; S82-K86 PolarHBondContact OG-NZ 2.82Å; S82-K86 VanDerWaalsContact OG-NZ 3.1Å
83	E	98.4	Very high	98.6	Very high	130 Å²	130	45.4 Å²	45.4	61%	0.607	23%	0.232	S	C	*	.	S	Bend	trans	-146	134.3	-171.6	-67.8	168.9	-124.4	0	0	110.5	V68 F81 G85 K86	V68-E83 VanDerWaalsContact CB-O 3.31Å; V68-E83 WeakPolarHBondContact CB-O 3.38Å; F81-E83 VanDerWaalsContact C-N 3.28Å; F81-E83 PolarHBondContact O-N 2.95Å; E83-G85 PolarHBondContact O-N 2.9Å; E83-K86 HydrophobicContact CB-CB 4.31Å; E83-K86 WeakPolarHBondContact O-CB 3.41Å; E83-K86 PolarHBondContact O-N 3.27Å; E83-K86 VanDerWaalsContact O-N 3.13Å
84	I	98.8	Very high	98.7	Very high	110 Å²	110	42.8 Å²	42.8	56%	0.564	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	133.7	171.2	-64.8	172.7	0	0	0	109.1	V68 D71 K86	V68-I84 HydrophobicContact CG1-CG1 4.46Å; D71-I84 HydrophobicContact CB-CD1 4.19Å; D71-I84 HydrophobicContact CB-CG1 4.46Å; I84-K86 VanDerWaalsContact C-N 3.31Å
85	G	98.7	Very high	98.7	Very high	45 Å²	45	37.1 Å²	37.1	46%	0.464	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-7.9	-176.1	0	0	0	0	0	114.1	V68 E83 Q87	V68-G85 PolarHBondContact O-N 3.18Å; E83-G85 PolarHBondContact O-N 2.9Å; G85-Q87 PolarHBondContact O-N 3.42Å
86	K	98.7	Very high	98.7	Very high	43 Å²	43	35.1 Å²	35.1	19%	0.187	18%	0.184	C	C	.	.			trans	-61.5	132.8	174.4	-174.7	170.7	-172.3	163.8	0	110.5	T67 V68 K79 S82 E83 I84 E120	T67-K86 WeakPolarHBondContact CA-O 3.41Å; V68-K86 HydrophobicContact CG2-CB 4.22Å; V68-K86 PolarHBondContact N-O 2.93Å; K79-K86 WeakPolarHBondContact O-CD 3.13Å; K79-K86 VanDerWaalsContact O-CE 3.29Å; K79-K86 WeakPolarHBondContact O-CE 3.34Å; K79-K86 PolarHBondContact O-NZ 3.45Å; S82-K86 PolarHBondContact OG-NZ 2.82Å; S82-K86 VanDerWaalsContact OG-NZ 3.1Å; E83-K86 HydrophobicContact CB-CB 4.31Å; E83-K86 WeakPolarHBondContact O-CB 3.41Å; E83-K86 PolarHBondContact O-N 3.27Å; E83-K86 VanDerWaalsContact O-N 3.13Å; I84-K86 VanDerWaalsContact C-N 3.31Å; K86-E120 WeakPolarHBondContact CE-OE1 3.33Å; K86-E120 IonicContact NZ-OE1 2.74Å; K86-E120 PolarHBondContact NZ-OE1 2.91Å
87	Q	98.7	Very high	98.7	Very high	133 Å²	133	35.4 Å²	35.4	62%	0.621	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	145	178.1	-66.2	-168.4	-39.1	0	0	111.3	T65 F66 T67 G85	T65-Q87 HydrophobicContact CG2-CB 3.81Å; T65-Q87 HydrophobicContact CG2-CG 4.1Å; F66-Q87 CarbonylContact O-C 3.52Å; F66-Q87 VanDerWaalsContact O-CA 3.24Å; F66-Q87 WeakPolarHBondContact O-CA 3.38Å; T67-Q87 HydrophobicContact CG2-CG 4.19Å; T67-Q87 PolarHBondContact OG1-NE2 2.85Å; G85-Q87 PolarHBondContact O-N 3.42Å
88	T	98.8	Very high	98.7	Very high	10 Å²	10	33.2 Å²	33.2	6%	0.061	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.9	175.9	-63.3	0	0	0	0	109.3	F66 I80 F117 T119	F66-T88 PolarHBondContact N-O 3.25Å; F66-T88 PolarHBondContact O-N 3.21Å; I80-T88 HydrophobicContact CD1-CG2 4.05Å; I80-T88 HydrophobicContact CG1-CG2 4.28Å; T88-F117 HydrophobicContact CG2-CB 4.22Å; T88-T119 HydrophobicContact CG2-CG2 4.31Å
89	E	98.7	Very high	98.7	Very high	73 Å²	73	33.1 Å²	33.1	34%	0.341	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	141.1	173.2	-170.9	-169.1	161.8	0	0	109	Y118 R301 K360	E89-Y118 HydrophobicContact CB-CD2 4Å; E89-Y118 HydrophobicContact CG-CD2 3.85Å; E89-Y118 HydrophobicContact CG-CE2 4.31Å; E89-Y118 WeakPolarHBondContact O-CD2 3.39Å; E89-Y118 PolarHBondContact O-N 3.17Å; E89-R301 IonicContact OE1-NH2 3.52Å; E89-K360 IonicContact OE1-NZ 3.71Å; E89-K360 PolarHBondContact OE1-NZ 2.7Å; E89-K360 IonicContact OE2-NZ 2.73Å
90	M	98.9	Very high	98.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.1	176.4	61.3	164.6	-74.8	0	0	113	F63 G64 F66 A92 L115 K116 F117 F297 L299	F63-M90 WeakPolarHBondContact CA-O 3.29Å; G64-M90 PolarHBondContact N-O 2.87Å; G64-M90 PolarHBondContact O-N 3.48Å; F66-M90 HydrophobicContact CB-SD 4.24Å; M90-A92 HydrophobicContact CE-CB 4.01Å; M90-L115 HydrophobicContact CE-CD2 3.83Å; M90-K116 CarbonylContact C-O 3.41Å; M90-K116 WeakPolarHBondContact CA-O 3.44Å; M90-K116 WeakPolarHBondContact CB-O 3.18Å; M90-F117 HydrophobicContact CB-CD1 3.95Å; M90-F117 HydrophobicContact CB-CE1 4.41Å; M90-F117 HydrophobicContact SD-CD1 4.35Å; M90-F117 HydrophobicContact SD-CE1 3.9Å; M90-F297 HydrophobicContact CE-CD2 3.82Å; M90-F297 HydrophobicContact CE-CE2 4.08Å; M90-F297 HydrophobicContact CE-CG 4.09Å; M90-F297 HydrophobicContact SD-CB 3.41Å; M90-F297 WeakPolarHBondContact SD-CB 3.5Å; M90-F297 HydrophobicContact SD-CD1 4.33Å; M90-F297 HydrophobicContact SD-CD2 3.76Å; M90-F297 HydrophobicContact SD-CG 3.6Å; M90-F297 VanDerWaalsContact SD-CG 3.6Å; M90-L299 HydrophobicContact CE-CD2 4.03Å
91	F	98.9	Very high	98.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	132.3	170.1	-179.9	-103.6	0	0	0	109.7	A62 F63 R93 K116 Y118 P303 D309 V310 A313 F315 V356	A62-F91 VanDerWaalsContact O-CD2 3.31Å; A62-F91 WeakPolarHBondContact O-CD2 3.41Å; F63-F91 HydrophobicContact CD1-CB 3.99Å; F63-F91 AromaticContact CD1-CD2 3.66Å; F63-F91 HydrophobicContact CD1-CD2 3.66Å; F63-F91 HydrophobicContact CD1-CG 4.27Å; F63-F91 HydrophobicContact CD2-CD2 4.02Å; F63-F91 HydrophobicContact CD2-CE2 4.32Å; F63-F91 HydrophobicContact CE1-CB 4.08Å; F63-F91 AromaticContact CE1-CD2 3.62Å; F63-F91 HydrophobicContact CE1-CD2 3.62Å; F63-F91 HydrophobicContact CE1-CE2 4.43Å; F63-F91 HydrophobicContact CE1-CG 4.14Å; F63-F91 HydrophobicContact CE2-CD2 4Å; F63-F91 HydrophobicContact CE2-CE2 4.12Å; F63-F91 AromaticContact CG-CD2 3.86Å; F63-F91 HydrophobicContact CG-CD2 3.86Å; F63-F91 AromaticContact CZ-CD2 3.8Å; F63-F91 HydrophobicContact CZ-CD2 3.8Å; F63-F91 HydrophobicContact CZ-CE2 4.17Å; F91-R93 HydrophobicContact CE1-CB 4.27Å; F91-K116 PolarHBondContact N-O 3.41Å; F91-K116 PolarHBondContact O-N 3.34Å; F91-Y118 HydrophobicContact CB-CE2 4.1Å; F91-P303 HydrophobicContact CE2-CG 4.18Å; F91-D309 WeakPolarHBondContact CE1-O 3.41Å; F91-D309 WeakPolarHBondContact CZ-O 3.44Å; F91-V310 HydrophobicContact CZ-CG2 4.19Å; F91-A313 HydrophobicContact CD1-CB 4.4Å; F91-A313 HydrophobicContact CE1-CB 3.68Å; F91-A313 HydrophobicContact CZ-CB 4.5Å; F91-F315 HydrophobicContact CD1-CE1 4.14Å; F91-F315 AromaticContact CD1-CZ 3.59Å; F91-F315 HydrophobicContact CD1-CZ 3.59Å; F91-F315 HydrophobicContact CE1-CE2 4.36Å; F91-F315 AromaticContact CE1-CZ 3.74Å; F91-F315 HydrophobicContact CE1-CZ 3.74Å; F91-V356 HydrophobicContact CB-CG2 4.37Å; F91-V356 HydrophobicContact CD1-CG2 3.66Å; F91-V356 HydrophobicContact CD2-CG2 4.11Å; F91-V356 HydrophobicContact CE1-CG2 3.9Å; F91-V356 HydrophobicContact CE2-CG2 4.31Å; F91-V356 HydrophobicContact CG-CG2 3.77Å; F91-V356 HydrophobicContact CZ-CG2 4.21Å
92	A	99	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	141.6	175.8	0	0	0	0	0	110.4	G61 A62 M90 F94 A114 L115 L299	G61-A92 CarbonylContact C-O 3.5Å; G61-A92 WeakPolarHBondContact CA-O 3.18Å; A62-A92 PolarHBondContact N-O 3.48Å; A62-A92 PolarHBondContact O-N 2.94Å; M90-A92 HydrophobicContact CE-CB 4.01Å; A92-F94 HydrophobicContact CB-CE2 4.29Å; A92-F94 HydrophobicContact CB-CZ 4.11Å; A92-A114 CarbonylContact C-O 3.55Å; A92-A114 WeakPolarHBondContact CA-O 3.37Å; A92-L115 HydrophobicContact CB-CD2 3.76Å; A92-L299 HydrophobicContact CB-CD1 4.02Å; A92-L299 HydrophobicContact CB-CD2 3.81Å
93	R	98.9	Very high	98.7	Very high	7 Å²	7	38.1 Å²	38.1	3%	0.026	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	121.8	165.7	-175.4	176.7	176.9	-84.6	3.3	110.2	R53 H56 A57 S60 F91 A114 V310 F315	R53-R93 VanDerWaalsContact CZ-CZ 3.48Å; H56-R93 PolarHBondContact O-NH1 2.93Å; H56-R93 PolarHBondContact O-NH2 2.95Å; A57-R93 PolarHBondContact O-NH2 2.78Å; S60-R93 CarbonylContact O-C 3.58Å; S60-R93 WeakPolarHBondContact O-CA 3.49Å; F91-R93 HydrophobicContact CE1-CB 4.27Å; R93-A114 PolarHBondContact N-O 3.35Å; R93-A114 PolarHBondContact O-N 3Å; R93-V310 HydrophobicContact CG-CG1 4.27Å; R93-F315 HydrophobicContact CB-CE2 3.58Å; R93-F315 HydrophobicContact CB-CZ 3.6Å; R93-F315 HydrophobicContact CG-CE2 4.48Å
94	F	98.9	Very high	98.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	156.8	170.5	-47.3	-73.9	0	0	0	110.8	G59 S60 A92 G112 F113 L190 M193 L246 W258 L299	G59-F94 CarbonylContact C-O 3.55Å; G59-F94 WeakPolarHBondContact CA-O 3.26Å; S60-F94 PolarHBondContact N-O 3.17Å; S60-F94 PolarHBondContact O-N 3.38Å; A92-F94 HydrophobicContact CB-CE2 4.29Å; A92-F94 HydrophobicContact CB-CZ 4.11Å; F94-G112 VanDerWaalsContact CA-O 3.23Å; F94-G112 WeakPolarHBondContact CA-O 3.22Å; F94-F113 AromaticContact CD1-CD2 3.89Å; F94-F113 HydrophobicContact CD1-CD2 3.89Å; F94-F113 HydrophobicContact CD1-CE2 4.3Å; F94-F113 HydrophobicContact CD1-CG 4.18Å; F94-F113 HydrophobicContact CE1-CD1 4.21Å; F94-F113 AromaticContact CE1-CD2 3.56Å; F94-F113 HydrophobicContact CE1-CD2 3.56Å; F94-F113 HydrophobicContact CE1-CE1 4.2Å; F94-F113 AromaticContact CE1-CE2 3.54Å; F94-F113 HydrophobicContact CE1-CE2 3.54Å; F94-F113 AromaticContact CE1-CG 3.91Å; F94-F113 HydrophobicContact CE1-CG 3.91Å; F94-F113 AromaticContact CE1-CZ 3.88Å; F94-F113 HydrophobicContact CE1-CZ 3.88Å; F94-F113 HydrophobicContact CZ-CE2 4.43Å; F94-L190 HydrophobicContact CB-CB 4.34Å; F94-L190 HydrophobicContact CB-CD1 3.82Å; F94-L190 HydrophobicContact CB-CD2 3.72Å; F94-L190 HydrophobicContact CB-CG 4.14Å; F94-L190 HydrophobicContact CD2-CB 4.01Å; F94-L190 HydrophobicContact CD2-CD1 3.98Å; F94-L190 HydrophobicContact CD2-CG 4.48Å; F94-L190 HydrophobicContact CG-CB 4.18Å; F94-L190 HydrophobicContact CG-CD1 4.26Å; F94-L190 HydrophobicContact CG-CD2 4.43Å; F94-L190 HydrophobicContact CG-CG 4.49Å; F94-M193 HydrophobicContact CB-CE 4.04Å; F94-M193 HydrophobicContact CD1-CE 3.47Å; F94-M193 VanDerWaalsContact CD1-CE 3.47Å; F94-M193 HydrophobicContact CE1-CE 4.17Å; F94-M193 HydrophobicContact CG-CE 3.93Å; F94-L246 HydrophobicContact CD2-CD2 3.98Å; F94-L246 HydrophobicContact CE2-CD2 4.15Å; F94-W258 HydrophobicContact CE2-CH2 4.35Å; F94-W258 AromaticContact CZ-CH2 3.8Å; F94-W258 HydrophobicContact CZ-CH2 3.8Å; F94-W258 HydrophobicContact CZ-CZ2 4.12Å; F94-W258 HydrophobicContact CZ-CZ3 4.37Å; F94-L299 HydrophobicContact CE2-CD1 3.51Å; F94-L299 HydrophobicContact CZ-CD1 3.71Å
95	S	98.9	Very high	98.7	Very high	7 Å²	7	27.2 Å²	27.2	5%	0.049	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	158.6	-174.9	43.4	0	0	0	0	112.2	H56 K58 R111 G112	H56-S95 WeakPolarHBondContact CB-OG 3.44Å; H56-S95 PolarHBondContact ND1-OG 3.11Å; H56-S95 VanDerWaalsContact ND1-OG 3.14Å; K58-S95 WeakPolarHBondContact O-CA 3.38Å; K58-S95 WeakPolarHBondContact O-CB 3.46Å; S95-R111 CarbonylContact O-C 3.58Å; S95-R111 WeakPolarHBondContact O-CA 3.38Å; S95-G112 PolarHBondContact N-O 2.69Å; S95-G112 PolarHBondContact O-N 2.84Å
96	T	98.8	Very high	98.7	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.025	14%	0.137	C	C	.	.			trans	-75.8	-172.4	156	59.5	0	0	0	0	109.3	H56 K58	H56-T96 WeakPolarHBondContact CA-O 3.21Å; H56-T96 WeakPolarHBondContact CB-O 3.49Å; H56-T96 PolarHBondContact ND1-O 3.28Å; K58-T96 PolarHBondContact O-N 3.26Å
97	V	98.7	Very high	98.7	Very high	6 Å²	6	25 Å²	25	4%	0.036	14%	0.137	C	C	.	.	S	Bend	trans	-113.9	-55.6	179.2	-172.5	0	0	0	0	112.1	M55 H56 D109 I110	M55-V97 HydrophobicContact CE-CG1 3.32Å; M55-V97 HydrophobicContact SD-CG1 4.11Å; H56-V97 VanDerWaalsContact CE1-CG2 3.42Å; H56-V97 WeakPolarHBondContact CE1-CG2 3.44Å; H56-V97 PolarHBondContact N-O 3.38Å; V97-D109 WeakPolarHBondContact CA-OD2 3.3Å; V97-D109 WeakPolarHBondContact CB-OD1 3.38Å; V97-D109 WeakPolarHBondContact CB-OD2 3.43Å; V97-D109 PolarHBondContact N-OD2 3.15Å; V97-I110 HydrophobicContact CG2-CB 3.66Å; V97-I110 HydrophobicContact CG2-CG2 3.94Å; V97-I110 VanDerWaalsContact CG2-O 3.31Å; V97-I110 WeakPolarHBondContact CG2-O 3.31Å
98	A	98.3	Very high	98.7	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.041	12%	0.115	C	C	.	.	S	Bend	trans	-83.5	-33.8	-168	0	0	0	0	0	113.3	D109 V149 K150	A98-D109 PolarHBondContact N-OD2 2.67Å; A98-V149 HydrophobicContact CB-CB 4.49Å; A98-V149 HydrophobicContact CB-CG2 4.1Å; A98-K150 PolarHBondContact O-NZ 3.38Å
99	G	98.1	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.			trans	-62.8	139.2	-178.6	0	0	0	0	0	114
100	E	98.7	Very high	98.7	Very high	46 Å²	46	17.6 Å²	17.6	22%	0.215	10%	0.1	C	C	.	.			trans	-73.8	178.5	168.9	-59.3	84.2	-170.4	0	0	111.5	E52 G102 A103 R151	E52-E100 WeakPolarHBondContact OE1-CG 3.21Å; E100-G102 PolarHBondContact O-N 3.41Å; E100-A103 VanDerWaalsContact O-CB 3.3Å; E100-A103 WeakPolarHBondContact O-CB 3.38Å; E100-A103 PolarHBondContact O-N 3.34Å; E100-R151 VanDerWaalsContact CD-NE 3.26Å; E100-R151 WeakPolarHBondContact OE1-CD 3.32Å; E100-R151 IonicContact OE1-CZ 3.37Å; E100-R151 IonicContact OE1-NE 3.08Å; E100-R151 PolarHBondContact OE1-NE 2.94Å; E100-R151 IonicContact OE1-NH2 3.88Å; E100-R151 IonicContact OE2-CZ 3.76Å; E100-R151 IonicContact OE2-NE 3.56Å; E100-R151 PolarHBondContact OE2-NE 2.75Å; E100-R151 IonicContact OE2-NH2 3.28Å; E100-R151 PolarHBondContact OE2-NH2 3.28Å
101	R	98.3	Very high	98.7	Very high	101 Å²	101	17.8 Å²	17.8	38%	0.381	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-33	-174.8	-83.4	172.3	64.5	167.3	1.3	116.9	E52 K58	E52-R101 HydrophobicContact CB-CG 3.7Å; E52-R101 WeakPolarHBondContact OE2-CG 3.48Å; E52-R101 PolarHBondContact OE2-N 3.39Å; K58-R101 WeakPolarHBondContact CD-O 3.02Å
102	G	98.5	Very high	98.7	Very high	66 Å²	66	17.9 Å²	17.9	68%	0.68	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	11.3	-178.7	0	0	0	0	0	114.6	E100	E100-G102 PolarHBondContact O-N 3.41Å
103	A	98.7	Very high	98.7	Very high	14 Å²	14	18 Å²	18	12%	0.116	10%	0.103	C	C	.	.	S	Bend	trans	-67.3	164.1	176.4	0	0	0	0	0	111.5	K58 E100	K58-A103 WeakPolarHBondContact CD-O 3.4Å; K58-A103 PolarHBondContact NZ-O 2.88Å; E100-A103 VanDerWaalsContact O-CB 3.3Å; E100-A103 WeakPolarHBondContact O-CB 3.38Å; E100-A103 PolarHBondContact O-N 3.34Å
104	A	98.8	Very high	98.7	Very high	5 Å²	5	18.2 Å²	18.2	4%	0.041	11%	0.106	C	C	.	.			trans	-78.6	140.3	-176.7	0	0	0	0	0	111.8	E107 I235 R239	A104-E107 HydrophobicContact CB-CG 4.07Å; A104-I235 HydrophobicContact CB-CB 4.44Å; A104-I235 HydrophobicContact CB-CD1 3.99Å; A104-I235 HydrophobicContact CB-CG1 3.84Å; A104-I235 HydrophobicContact CB-CG2 3.83Å; A104-R239 HydrophobicContact CB-CB 4.4Å; A104-R239 HydrophobicContact CB-CG 4.01Å
105	D	98.9	Very high	98.7	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.037	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-35	-179	-78.3	-1.1	0	0	0	113.3	K58 E107 R111 R239 D240 S241 S242 Q243	K58-D105 WeakPolarHBondContact CE-OD1 3.25Å; K58-D105 VanDerWaalsContact CG-OD1 3.23Å; K58-D105 WeakPolarHBondContact CG-OD1 3.42Å; K58-D105 IonicContact NZ-OD1 2.75Å; K58-D105 PolarHBondContact NZ-OD1 2.87Å; D105-E107 VanDerWaalsContact C-N 3.3Å; D105-E107 PolarHBondContact O-N 2.78Å; D105-R111 PolarHBondContact O-NH2 2.8Å; D105-R239 PolarHBondContact N-O 2.84Å; D105-D240 VanDerWaalsContact OD2-CA 3.31Å; D105-D240 WeakPolarHBondContact OD2-CA 3.44Å; D105-S241 PolarHBondContact OD2-N 3.31Å; D105-S242 WeakPolarHBondContact OD2-CB 3.29Å; D105-S242 PolarHBondContact OD2-N 3.3Å; D105-Q243 PolarHBondContact OD2-N 2.84Å
106	A	98.8	Very high	98.7	Very high	2 Å²	2	18 Å²	18	2%	0.017	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	31	-173.5	0	0	0	0	0	113.7	L226 A231 I234 I235	A106-L226 HydrophobicContact CB-CD1 4.08Å; A106-A231 HydrophobicContact CB-CB 4.49Å; A106-A231 WeakPolarHBondContact O-CB 3.3Å; A106-I234 HydrophobicContact CB-CG2 4.28Å; A106-I235 HydrophobicContact CB-CD1 4.36Å; A106-I235 HydrophobicContact CB-CG1 3.98Å
107	E	98.7	Very high	98.7	Very high	40 Å²	40	17.8 Å²	17.8	19%	0.187	10%	0.103	C	C	.	.	S	Bend	trans	-82.3	154.2	175.7	-68.5	-178.5	-177.9	0	0	112.6	A104 D105 D109 R111 R158 I235	A104-E107 HydrophobicContact CB-CG 4.07Å; D105-E107 VanDerWaalsContact C-N 3.3Å; D105-E107 PolarHBondContact O-N 2.78Å; E107-D109 PolarHBondContact O-N 2.79Å; E107-D109 VanDerWaalsContact O-N 3.09Å; E107-R111 PolarHBondContact O-NH1 3.34Å; E107-R111 PolarHBondContact O-NH2 3.02Å; E107-R158 IonicContact OE2-CZ 3.85Å; E107-R158 IonicContact OE2-NH1 3.95Å; E107-R158 PolarHBondContact OE2-NH1 3Å; E107-R158 IonicContact OE2-NH2 2.97Å; E107-R158 PolarHBondContact OE2-NH2 3.43Å; E107-I235 HydrophobicContact CG-CD1 4.26Å
108	R	98.8	Very high	98.7	Very high	42 Å²	42	18 Å²	18	16%	0.158	10%	0.103	C	C	.	.	S	Bend	trans	-66.4	107.3	168.6	-174.9	171.1	-64.9	-79.2	-3.9	110.3	L180 S182 G185 I186 D228 N448	R108-L180 WeakPolarHBondContact CD-O 3.46Å; R108-L180 HydrophobicContact CG-CD1 3.92Å; R108-L180 HydrophobicContact CG-CG 4.17Å; R108-L180 PolarHBondContact NH1-O 3.14Å; R108-S182 PolarHBondContact NH1-O 3Å; R108-G185 WeakPolarHBondContact CA-O 3.23Å; R108-I186 HydrophobicContact CB-CD1 4.09Å; R108-I186 HydrophobicContact CB-CG1 3.87Å; R108-I186 HydrophobicContact CG-CG1 4.41Å; R108-D228 IonicContact CZ-OD1 2.69Å; R108-D228 IonicContact NE-OD1 2.79Å; R108-D228 PolarHBondContact NE-OD1 2.84Å; R108-D228 IonicContact NH2-OD1 3.86Å; R108-D228 PolarHBondContact NH2-OD1 2.88Å; R108-D228 IonicContact NH2-OD2 2.7Å; R108-N448 PolarHBondContact NH2-ND2 2.9Å; R108-N448 PolarHBondContact NH2-OD1 2.85Å
109	D	98.8	Very high	98.7	Very high	16 Å²	16	18 Å²	18	9%	0.086	10%	0.102	C	C	.	.	S	Bend	trans	-163.9	161.1	-176.4	-155	-7.5	0	0	0	110.7	V97 A98 E107 R111 G185	V97-D109 WeakPolarHBondContact CA-OD2 3.3Å; V97-D109 WeakPolarHBondContact CB-OD1 3.38Å; V97-D109 WeakPolarHBondContact CB-OD2 3.43Å; V97-D109 PolarHBondContact N-OD2 3.15Å; A98-D109 PolarHBondContact N-OD2 2.67Å; E107-D109 PolarHBondContact O-N 2.79Å; E107-D109 VanDerWaalsContact O-N 3.09Å; D109-R111 PolarHBondContact O-NH1 2.78Å; D109-G185 PolarHBondContact N-O 2.91Å; D109-G185 VanDerWaalsContact O-O 3.14Å
110	I	98.8	Very high	98.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	13%	0.125	C	C	.	.			trans	-60.3	148.7	161	-70.8	173.3	0	0	0	108.5	V97 N129 T131 F134 F135 Q176	V97-I110 HydrophobicContact CG2-CB 3.66Å; V97-I110 HydrophobicContact CG2-CG2 3.94Å; V97-I110 VanDerWaalsContact CG2-O 3.31Å; V97-I110 WeakPolarHBondContact CG2-O 3.31Å; I110-N129 HydrophobicContact CG2-CB 3.76Å; I110-N129 VanDerWaalsContact CG2-CG 3.49Å; I110-T131 HydrophobicContact CD1-CG2 3.93Å; I110-T131 HydrophobicContact CG1-CG2 4.01Å; I110-T131 HydrophobicContact CG2-CG2 4.06Å; I110-F134 HydrophobicContact CD1-CD2 3.84Å; I110-F134 HydrophobicContact CD1-CE2 3.69Å; I110-F135 HydrophobicContact CD1-CD2 4.24Å; I110-F135 HydrophobicContact CD1-CE2 3.46Å; I110-F135 VanDerWaalsContact CD1-CE2 3.46Å; I110-F135 HydrophobicContact CD1-CZ 3.91Å; I110-F135 HydrophobicContact CG1-CE2 4.41Å; I110-F135 HydrophobicContact CG1-CZ 4.48Å; I110-Q176 HydrophobicContact CD1-CG 3.93Å
111	R	98.9	Very high	98.6	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.011	12%	0.124	C	C	.	.			trans	-105.2	127.7	167.4	-57.3	-58.5	-170.2	-92.2	9.7	110.6	S95 D105 E107 D109 N129 N130 G185 P187 M193	S95-R111 CarbonylContact O-C 3.58Å; S95-R111 WeakPolarHBondContact O-CA 3.38Å; D105-R111 PolarHBondContact O-NH2 2.8Å; E107-R111 PolarHBondContact O-NH1 3.34Å; E107-R111 PolarHBondContact O-NH2 3.02Å; D109-R111 PolarHBondContact O-NH1 2.78Å; R111-N129 CarbonylContact O-C 3.48Å; R111-N129 VanDerWaalsContact O-CA 3.24Å; R111-N129 WeakPolarHBondContact O-CA 3.1Å; R111-N130 HydrophobicContact CB-CB 3.99Å; R111-N130 PolarHBondContact N-OD1 2.81Å; R111-N130 PolarHBondContact O-N 3.25Å; R111-N130 PolarHBondContact O-OD1 2.68Å; R111-G185 PolarHBondContact NH1-O 3.38Å; R111-P187 HydrophobicContact CG-CG 3.94Å; R111-M193 HydrophobicContact CB-CE 3.95Å; R111-M193 HydrophobicContact CB-SD 3.47Å; R111-M193 WeakPolarHBondContact CB-SD 3.31Å; R111-M193 HydrophobicContact CG-SD 3.75Å
112	G	98.9	Very high	98.5	Very high	3 Å²	3	18.5 Å²	18.5	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	141.8	169.2	0	0	0	0	0	111.1	F94 S95 N129	F94-G112 VanDerWaalsContact CA-O 3.23Å; F94-G112 WeakPolarHBondContact CA-O 3.22Å; S95-G112 PolarHBondContact N-O 2.69Å; S95-G112 PolarHBondContact O-N 2.84Å; G112-N129 WeakPolarHBondContact CA-OD1 3.31Å
113	F	99	Very high	98.5	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.009	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	69.9	-179.6	-158.8	-72	0	0	0	108.3	F94 L115 G128 M193 F217 W258 F297	F94-F113 AromaticContact CD1-CD2 3.89Å; F94-F113 HydrophobicContact CD1-CD2 3.89Å; F94-F113 HydrophobicContact CD1-CE2 4.3Å; F94-F113 HydrophobicContact CD1-CG 4.18Å; F94-F113 HydrophobicContact CE1-CD1 4.21Å; F94-F113 AromaticContact CE1-CD2 3.56Å; F94-F113 HydrophobicContact CE1-CD2 3.56Å; F94-F113 HydrophobicContact CE1-CE1 4.2Å; F94-F113 AromaticContact CE1-CE2 3.54Å; F94-F113 HydrophobicContact CE1-CE2 3.54Å; F94-F113 AromaticContact CE1-CG 3.91Å; F94-F113 HydrophobicContact CE1-CG 3.91Å; F94-F113 AromaticContact CE1-CZ 3.88Å; F94-F113 HydrophobicContact CE1-CZ 3.88Å; F94-F113 HydrophobicContact CZ-CE2 4.43Å; F113-L115 HydrophobicContact CD1-CD1 4.2Å; F113-L115 HydrophobicContact CD1-CD2 3.79Å; F113-L115 HydrophobicContact CD1-CG 3.98Å; F113-L115 HydrophobicContact CE1-CD1 3.93Å; F113-L115 HydrophobicContact CE1-CD2 3.67Å; F113-L115 HydrophobicContact CE1-CG 4.06Å; F113-G128 CarbonylContact C-O 3.51Å; F113-G128 PolarHBondContact N-O 3.23Å; F113-G128 CarbonylContact O-C 3.38Å; F113-G128 WeakPolarHBondContact O-CA 3.26Å; F113-G128 PolarHBondContact O-N 3.31Å; F113-M193 HydrophobicContact CD2-CE 4.13Å; F113-F217 HydrophobicContact CE1-CB 4.03Å; F113-F217 HydrophobicContact CE1-CD2 4.2Å; F113-F217 HydrophobicContact CE1-CG 4.04Å; F113-F217 HydrophobicContact CZ-CB 3.94Å; F113-F217 HydrophobicContact CZ-CG 4.45Å; F113-W258 AromaticContact CE2-CE2 3.9Å; F113-W258 HydrophobicContact CE2-CZ2 4.28Å; F113-W258 AromaticContact CE2-NE1 3.55Å; F113-W258 AromaticContact CZ-CD1 3.71Å; F113-W258 HydrophobicContact CZ-CD2 4.06Å; F113-W258 AromaticContact CZ-CE2 3.85Å; F113-W258 AromaticContact CZ-CG 4Å; F113-W258 HydrophobicContact CZ-CG 4Å; F113-W258 HydrophobicContact CZ-CZ2 4.46Å; F113-W258 AromaticContact CZ-NE1 3.65Å; F113-F297 HydrophobicContact CE1-CE1 4.04Å; F113-F297 AromaticContact CE1-CZ 3.75Å; F113-F297 HydrophobicContact CE1-CZ 3.75Å; F113-F297 HydrophobicContact CZ-CE1 4.18Å; F113-F297 AromaticContact CZ-CZ 3.68Å; F113-F297 HydrophobicContact CZ-CZ 3.68Å
114	A	99	Very high	98.5	Very high	11 Å²	11	15.7 Å²	15.7	9%	0.091	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.9	-173.5	0	0	0	0	0	111	A92 R93 V127 F315	A92-A114 CarbonylContact C-O 3.55Å; A92-A114 WeakPolarHBondContact CA-O 3.37Å; R93-A114 PolarHBondContact N-O 3.35Å; R93-A114 PolarHBondContact O-N 3Å; A114-V127 HydrophobicContact CB-CG1 4.18Å; A114-F315 HydrophobicContact CB-CB 4.41Å; A114-F315 HydrophobicContact CB-CD1 3.96Å; A114-F315 HydrophobicContact CB-CD2 3.96Å; A114-F315 HydrophobicContact CB-CE1 4.11Å; A114-F315 HydrophobicContact CB-CE2 4.13Å; A114-F315 HydrophobicContact CB-CG 3.87Å; A114-F315 HydrophobicContact CB-CZ 4.19Å
115	L	98.9	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.3	-178.3	-50.6	-178.7	0	0	0	110.3	M90 A92 F113 F117 D125 L126 F217 F297	M90-L115 HydrophobicContact CE-CD2 3.83Å; A92-L115 HydrophobicContact CB-CD2 3.76Å; F113-L115 HydrophobicContact CD1-CD1 4.2Å; F113-L115 HydrophobicContact CD1-CD2 3.79Å; F113-L115 HydrophobicContact CD1-CG 3.98Å; F113-L115 HydrophobicContact CE1-CD1 3.93Å; F113-L115 HydrophobicContact CE1-CD2 3.67Å; F113-L115 HydrophobicContact CE1-CG 4.06Å; L115-F117 HydrophobicContact CB-CD2 4.49Å; L115-F117 HydrophobicContact CB-CE2 3.71Å; L115-F117 HydrophobicContact CB-CZ 3.93Å; L115-F117 HydrophobicContact CD1-CE2 4.17Å; L115-F117 HydrophobicContact CD1-CZ 3.75Å; L115-D125 CarbonylContact O-C 3.37Å; L115-D125 VanDerWaalsContact O-CA 3.29Å; L115-D125 WeakPolarHBondContact O-CA 3.31Å; L115-L126 PolarHBondContact N-O 3.2Å; L115-L126 PolarHBondContact O-N 3.16Å; L115-F217 HydrophobicContact CD1-CD1 4.2Å; L115-F217 HydrophobicContact CD1-CD2 4.34Å; L115-F217 HydrophobicContact CD1-CE1 3.71Å; L115-F217 HydrophobicContact CD1-CE2 3.89Å; L115-F217 HydrophobicContact CD1-CG 4.49Å; L115-F217 HydrophobicContact CD1-CZ 3.56Å; L115-F297 HydrophobicContact CD1-CE1 4.16Å; L115-F297 HydrophobicContact CD2-CZ 4.23Å
116	K	98.9	Very high	98.5	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.5	170.7	177.6	-179.5	-59	-58.2	0	108.6	M90 F91 Y118 N123 W124 D125 A314 F315 V356	M90-K116 CarbonylContact C-O 3.41Å; M90-K116 WeakPolarHBondContact CA-O 3.44Å; M90-K116 WeakPolarHBondContact CB-O 3.18Å; F91-K116 PolarHBondContact N-O 3.41Å; F91-K116 PolarHBondContact O-N 3.34Å; K116-Y118 HydrophobicContact CD-CD1 4.34Å; K116-Y118 HydrophobicContact CD-CE1 3.55Å; K116-Y118 HydrophobicContact CG-CD1 4.49Å; K116-Y118 HydrophobicContact CG-CE1 4.08Å; K116-N123 HydrophobicContact CG-CB 4.46Å; K116-W124 CarbonylContact C-O 3.52Å; K116-W124 WeakPolarHBondContact CA-O 3.41Å; K116-D125 VanDerWaalsContact CB-OD1 3.25Å; K116-D125 WeakPolarHBondContact CB-OD1 3.27Å; K116-D125 VanDerWaalsContact CG-OD1 3.27Å; K116-D125 WeakPolarHBondContact CG-OD1 3.32Å; K116-D125 VanDerWaalsContact NZ-CG 3.29Å; K116-D125 IonicContact NZ-OD1 3.25Å; K116-D125 PolarHBondContact NZ-OD1 3.17Å; K116-D125 IonicContact NZ-OD2 3.74Å; K116-D125 PolarHBondContact NZ-OD2 3.02Å; K116-D125 VanDerWaalsContact NZ-OD2 3.08Å; K116-A314 WeakPolarHBondContact CE-O 3.45Å; K116-A314 PolarHBondContact NZ-O 3.16Å; K116-F315 HydrophobicContact CB-CD1 3.9Å; K116-F315 HydrophobicContact CB-CE1 3.67Å; K116-V356 WeakPolarHBondContact CD-O 2.92Å
117	F	98.9	Very high	98.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124.9	175.8	-54.9	-89.7	0	0	0	109.5	F66 I80 T88 M90 L115 T119 N123 W124 L126	F66-F117 HydrophobicContact CB-CD1 4.09Å; F66-F117 HydrophobicContact CB-CE1 3.92Å; F66-F117 HydrophobicContact CD2-CE1 4.33Å; F66-F117 HydrophobicContact CG-CD1 4.45Å; F66-F117 HydrophobicContact CG-CE1 4.08Å; I80-F117 HydrophobicContact CD1-CB 3.72Å; I80-F117 HydrophobicContact CD1-CD1 3.7Å; I80-F117 HydrophobicContact CD1-CE1 4.46Å; I80-F117 HydrophobicContact CD1-CG 3.76Å; T88-F117 HydrophobicContact CG2-CB 4.22Å; M90-F117 HydrophobicContact CB-CD1 3.95Å; M90-F117 HydrophobicContact CB-CE1 4.41Å; M90-F117 HydrophobicContact SD-CD1 4.35Å; M90-F117 HydrophobicContact SD-CE1 3.9Å; L115-F117 HydrophobicContact CB-CD2 4.49Å; L115-F117 HydrophobicContact CB-CE2 3.71Å; L115-F117 HydrophobicContact CB-CZ 3.93Å; L115-F117 HydrophobicContact CD1-CE2 4.17Å; L115-F117 HydrophobicContact CD1-CZ 3.75Å; F117-T119 HydrophobicContact CB-CG2 3.93Å; F117-T119 PolarHBondContact O-N 2.8Å; F117-T119 VanDerWaalsContact O-N 3.15Å; F117-N123 WeakPolarHBondContact O-CA 3.31Å; F117-W124 HydrophobicContact CB-CB 4.4Å; F117-W124 HydrophobicContact CB-CE3 4.27Å; F117-W124 HydrophobicContact CD2-CB 4.44Å; F117-W124 AromaticContact CD2-CD2 3.76Å; F117-W124 HydrophobicContact CD2-CD2 3.76Å; F117-W124 AromaticContact CD2-CE3 3.23Å; F117-W124 HydrophobicContact CD2-CE3 3.23Å; F117-W124 HydrophobicContact CD2-CG 4.3Å; F117-W124 AromaticContact CD2-CZ3 3.67Å; F117-W124 HydrophobicContact CD2-CZ3 3.67Å; F117-W124 HydrophobicContact CE2-CD2 4.19Å; F117-W124 AromaticContact CE2-CE3 3.63Å; F117-W124 HydrophobicContact CE2-CE3 3.63Å; F117-W124 HydrophobicContact CE2-CH2 4.11Å; F117-W124 AromaticContact CE2-CZ3 3.57Å; F117-W124 HydrophobicContact CE2-CZ3 3.57Å; F117-W124 AromaticContact CG-CE3 3.84Å; F117-W124 HydrophobicContact CG-CE3 3.84Å; F117-W124 HydrophobicContact CG-CZ3 4.3Å; F117-W124 HydrophobicContact CZ-CE3 4.5Å; F117-W124 HydrophobicContact CZ-CZ3 4.11Å; F117-W124 PolarHBondContact N-O 3.5Å; F117-W124 PolarHBondContact O-N 2.97Å; F117-L126 HydrophobicContact CE2-CB 4.33Å
118	Y	98.5	Very high	98.5	Very high	12 Å²	12	13.9 Å²	13.9	5%	0.047	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	77.1	-179.5	-58.6	-74	0	0	0	110.1	E89 F91 K116 N123 V356 Q358 K360	E89-Y118 HydrophobicContact CB-CD2 4Å; E89-Y118 HydrophobicContact CG-CD2 3.85Å; E89-Y118 HydrophobicContact CG-CE2 4.31Å; E89-Y118 WeakPolarHBondContact O-CD2 3.39Å; E89-Y118 PolarHBondContact O-N 3.17Å; F91-Y118 HydrophobicContact CB-CE2 4.1Å; K116-Y118 HydrophobicContact CD-CD1 4.34Å; K116-Y118 HydrophobicContact CD-CE1 3.55Å; K116-Y118 HydrophobicContact CG-CD1 4.49Å; K116-Y118 HydrophobicContact CG-CE1 4.08Å; Y118-N123 VanDerWaalsContact CD1-OD1 3.24Å; Y118-N123 WeakPolarHBondContact CD1-OD1 3.15Å; Y118-V356 WeakPolarHBondContact CE1-O 3.45Å; Y118-V356 PolarHBondContact OH-O 2.99Å; Y118-Q358 WeakPolarHBondContact CE1-O 3.36Å; Y118-K360 HydrophobicContact CD1-CB 3.93Å; Y118-K360 HydrophobicContact CD1-CD 3.77Å; Y118-K360 HydrophobicContact CD1-CG 3.75Å; Y118-K360 HydrophobicContact CD2-CD 4.04Å; Y118-K360 HydrophobicContact CE1-CD 3.82Å; Y118-K360 HydrophobicContact CE1-CG 3.99Å; Y118-K360 HydrophobicContact CE2-CD 4.09Å; Y118-K360 HydrophobicContact CG-CB 4.11Å; Y118-K360 HydrophobicContact CG-CD 3.9Å; Y118-K360 HydrophobicContact CG-CG 4.23Å
119	T	98.6	Very high	98.5	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.018	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	163.2	-173.1	89.7	0	0	0	0	112.4	I80 T88 F117 E121 G122 W124 I321 G361	I80-T119 HydrophobicContact CB-CG2 4.08Å; I80-T119 HydrophobicContact CD1-CG2 4.07Å; I80-T119 HydrophobicContact CG1-CG2 4.47Å; T88-T119 HydrophobicContact CG2-CG2 4.31Å; F117-T119 HydrophobicContact CB-CG2 3.93Å; F117-T119 PolarHBondContact O-N 2.8Å; F117-T119 VanDerWaalsContact O-N 3.15Å; T119-E121 PolarHBondContact O-N 2.62Å; T119-E121 PolarHBondContact OG1-N 3.41Å; T119-G122 WeakPolarHBondContact CA-O 3.21Å; T119-G122 WeakPolarHBondContact CB-O 3.19Å; T119-G122 PolarHBondContact N-O 3.48Å; T119-G122 VanDerWaalsContact N-O 3.14Å; T119-G122 PolarHBondContact O-N 2.83Å; T119-G122 PolarHBondContact OG1-N 2.84Å; T119-G122 PolarHBondContact OG1-O 3.01Å; T119-W124 HydrophobicContact CG2-CB 4.37Å; T119-I321 HydrophobicContact CG2-CD1 3.97Å; T119-G361 CarbonylContact O-C 3.59Å; T119-G361 WeakPolarHBondContact O-CA 3.36Å
120	E	97	Very high	98.5	Very high	102 Å²	102	12.8 Å²	12.8	48%	0.477	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-6.9	176.7	76.9	-166.7	86.6	0	0	114.1	K79 K86 V362	K79-E120 HydrophobicContact CB-CG 3.79Å; K79-E120 HydrophobicContact CG-CG 4.05Å; K86-E120 WeakPolarHBondContact CE-OE1 3.33Å; K86-E120 IonicContact NZ-OE1 2.74Å; K86-E120 PolarHBondContact NZ-OE1 2.91Å; E120-V362 WeakPolarHBondContact O-CG1 3.45Å
121	E	96.6	Very high	98.5	Very high	42 Å²	42	12.7 Å²	12.7	20%	0.196	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.6	20.8	177.2	-65.7	-179.7	156.5	0	0	111.8	K79 T119 P322 Y403	K79-E121 HydrophobicContact CB-CG 4.41Å; K79-E121 HydrophobicContact CG-CG 3.92Å; K79-E121 VanDerWaalsContact CG-OE1 3.24Å; K79-E121 WeakPolarHBondContact CG-OE1 3.45Å; K79-E121 WeakPolarHBondContact CG-OE2 3.3Å; T119-E121 PolarHBondContact O-N 2.62Å; T119-E121 PolarHBondContact OG1-N 3.41Å; E121-P322 HydrophobicContact CB-CG 4.35Å; E121-Y403 WeakPolarHBondContact OE1-CE1 3.44Å
122	G	97	Very high	98.5	Very high	14 Å²	14	14 Å²	14	14%	0.144	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.6	176.5	176.1	0	0	0	0	0	113.3	T119 V362	T119-G122 WeakPolarHBondContact CA-O 3.21Å; T119-G122 WeakPolarHBondContact CB-O 3.19Å; T119-G122 PolarHBondContact N-O 3.48Å; T119-G122 VanDerWaalsContact N-O 3.14Å; T119-G122 PolarHBondContact O-N 2.83Å; T119-G122 PolarHBondContact OG1-N 2.84Å; T119-G122 PolarHBondContact OG1-O 3.01Å; G122-V362 VanDerWaalsContact N-CG1 3.26Å
123	N	98.2	Very high	98.5	Very high	17 Å²	17	13.9 Å²	13.9	9%	0.091	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	129.1	173.8	-73.9	-11.4	0	0	0	110	K116 F117 Y118 N357 Q358 P359	K116-N123 HydrophobicContact CG-CB 4.46Å; F117-N123 WeakPolarHBondContact O-CA 3.31Å; Y118-N123 VanDerWaalsContact CD1-OD1 3.24Å; Y118-N123 WeakPolarHBondContact CD1-OD1 3.15Å; N123-N357 PolarHBondContact ND2-O 3.11Å; N123-N357 VanDerWaalsContact ND2-O 3.1Å; N123-Q358 PolarHBondContact ND2-O 3.09Å; N123-P359 WeakPolarHBondContact OD1-CA 3.34Å
124	W	98.8	Very high	98.5	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.015	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.2	166	172.6	36.4	0	0	0	109.5	I80 F81 K116 F117 T119 L126 F215 M260 N319 I321 L324	I80-W124 HydrophobicContact CD1-CE3 4.03Å; I80-W124 HydrophobicContact CD1-CZ3 4.2Å; F81-W124 HydrophobicContact CE1-CZ3 4.47Å; F81-W124 HydrophobicContact CE2-CZ3 4.33Å; F81-W124 AromaticContact CZ-CH2 3.92Å; F81-W124 HydrophobicContact CZ-CH2 3.92Å; F81-W124 AromaticContact CZ-CZ3 3.61Å; F81-W124 HydrophobicContact CZ-CZ3 3.61Å; K116-W124 CarbonylContact C-O 3.52Å; K116-W124 WeakPolarHBondContact CA-O 3.41Å; F117-W124 HydrophobicContact CB-CB 4.4Å; F117-W124 HydrophobicContact CB-CE3 4.27Å; F117-W124 HydrophobicContact CD2-CB 4.44Å; F117-W124 AromaticContact CD2-CD2 3.76Å; F117-W124 HydrophobicContact CD2-CD2 3.76Å; F117-W124 AromaticContact CD2-CE3 3.23Å; F117-W124 HydrophobicContact CD2-CE3 3.23Å; F117-W124 HydrophobicContact CD2-CG 4.3Å; F117-W124 AromaticContact CD2-CZ3 3.67Å; F117-W124 HydrophobicContact CD2-CZ3 3.67Å; F117-W124 HydrophobicContact CE2-CD2 4.19Å; F117-W124 AromaticContact CE2-CE3 3.63Å; F117-W124 HydrophobicContact CE2-CE3 3.63Å; F117-W124 HydrophobicContact CE2-CH2 4.11Å; F117-W124 AromaticContact CE2-CZ3 3.57Å; F117-W124 HydrophobicContact CE2-CZ3 3.57Å; F117-W124 AromaticContact CG-CE3 3.84Å; F117-W124 HydrophobicContact CG-CE3 3.84Å; F117-W124 HydrophobicContact CG-CZ3 4.3Å; F117-W124 HydrophobicContact CZ-CE3 4.5Å; F117-W124 HydrophobicContact CZ-CZ3 4.11Å; F117-W124 PolarHBondContact N-O 3.5Å; F117-W124 PolarHBondContact O-N 2.97Å; T119-W124 HydrophobicContact CG2-CB 4.37Å; W124-L126 HydrophobicContact CH2-CD2 4.18Å; W124-L126 HydrophobicContact CZ2-CB 3.94Å; W124-L126 HydrophobicContact CZ2-CD1 4.28Å; W124-L126 HydrophobicContact CZ2-CD2 3.91Å; W124-L126 HydrophobicContact CZ2-CG 4.27Å; W124-F215 HydrophobicContact CH2-CE1 4.04Å; W124-F215 HydrophobicContact CH2-CZ 4.25Å; W124-F215 HydrophobicContact CZ2-CE1 4.12Å; W124-F215 HydrophobicContact CZ2-CE2 4.25Å; W124-F215 AromaticContact CZ2-CZ 3.88Å; W124-F215 HydrophobicContact CZ2-CZ 3.88Å; W124-M260 HydrophobicContact CH2-CE 4.08Å; W124-N319 WeakPolarHBondContact CA-O 3.42Å; W124-I321 HydrophobicContact CB-CD1 4.22Å; W124-I321 HydrophobicContact CB-CG1 4.18Å; W124-I321 HydrophobicContact CB-CG2 4.02Å; W124-I321 HydrophobicContact CG-CG1 4.48Å; W124-L324 HydrophobicContact CD2-CD1 3.68Å; W124-L324 VanDerWaalsContact CE2-CD1 3.47Å; W124-L324 HydrophobicContact CE3-CD1 4.16Å; W124-L324 HydrophobicContact CG-CD1 4.09Å; W124-L324 HydrophobicContact CH2-CD1 4.28Å; W124-L324 HydrophobicContact CZ2-CD1 3.79Å; W124-L324 HydrophobicContact CZ3-CD1 4.45Å
125	D	98.9	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114.6	172.9	-69.2	-33.9	0	0	0	111	L115 K116 V127 F315 A316 N319	L115-D125 CarbonylContact O-C 3.37Å; L115-D125 VanDerWaalsContact O-CA 3.29Å; L115-D125 WeakPolarHBondContact O-CA 3.31Å; K116-D125 VanDerWaalsContact CB-OD1 3.25Å; K116-D125 WeakPolarHBondContact CB-OD1 3.27Å; K116-D125 VanDerWaalsContact CG-OD1 3.27Å; K116-D125 WeakPolarHBondContact CG-OD1 3.32Å; K116-D125 VanDerWaalsContact NZ-CG 3.29Å; K116-D125 IonicContact NZ-OD1 3.25Å; K116-D125 PolarHBondContact NZ-OD1 3.17Å; K116-D125 IonicContact NZ-OD2 3.74Å; K116-D125 PolarHBondContact NZ-OD2 3.02Å; K116-D125 VanDerWaalsContact NZ-OD2 3.08Å; D125-V127 HydrophobicContact CB-CG2 4.07Å; D125-F315 HydrophobicContact CB-CB 4.36Å; D125-F315 VanDerWaalsContact OD2-CA 3.3Å; D125-F315 WeakPolarHBondContact OD2-CA 3.49Å; D125-A316 WeakPolarHBondContact CB-O 3.05Å; D125-A316 PolarHBondContact OD2-N 2.9Å; D125-N319 HydrophobicContact CB-CB 4.02Å; D125-N319 PolarHBondContact N-O 3.5Å; D125-N319 WeakPolarHBondContact OD2-CB 3.35Å; D125-N319 PolarHBondContact OD2-ND2 2.88Å
126	L	98.9	Very high	98.4	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	98.6	169.3	-173.3	62.6	0	0	0	109.2	L115 F117 W124 G128 Y201 F215 F217	L115-L126 PolarHBondContact N-O 3.2Å; L115-L126 PolarHBondContact O-N 3.16Å; F117-L126 HydrophobicContact CE2-CB 4.33Å; W124-L126 HydrophobicContact CH2-CD2 4.18Å; W124-L126 HydrophobicContact CZ2-CB 3.94Å; W124-L126 HydrophobicContact CZ2-CD1 4.28Å; W124-L126 HydrophobicContact CZ2-CD2 3.91Å; W124-L126 HydrophobicContact CZ2-CG 4.27Å; L126-G128 PolarHBondContact O-N 2.71Å; L126-Y201 HydrophobicContact CD1-CE2 3.87Å; L126-F215 HydrophobicContact CD1-CD2 3.76Å; L126-F215 HydrophobicContact CD1-CE2 4.18Å; L126-F215 HydrophobicContact CD1-CG 4.41Å; L126-F215 HydrophobicContact CD2-CB 3.81Å; L126-F215 HydrophobicContact CD2-CD1 4.41Å; L126-F215 HydrophobicContact CD2-CD2 4.03Å; L126-F215 HydrophobicContact CD2-CG 3.84Å; L126-F217 HydrophobicContact CD2-CE2 3.43Å; L126-F217 VanDerWaalsContact CD2-CE2 3.43Å; L126-F217 HydrophobicContact CD2-CZ 3.46Å; L126-F217 VanDerWaalsContact CD2-CZ 3.46Å
127	V	98.8	Very high	98.3	Very high	10 Å²	10	14.3 Å²	14.3	6%	0.061	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	77	-170.1	-163.8	0	0	0	0	110.2	A114 D125 F315 P317 R335 Y339	A114-V127 HydrophobicContact CB-CG1 4.18Å; D125-V127 HydrophobicContact CB-CG2 4.07Å; V127-F315 HydrophobicContact CG1-CB 4.42Å; V127-F315 HydrophobicContact CG2-CB 3.74Å; V127-P317 HydrophobicContact CB-CG 4.11Å; V127-P317 HydrophobicContact CG2-CG 3.92Å; V127-R335 VanDerWaalsContact CG1-NH2 3.28Å; V127-R335 PolarHBondContact O-NH1 2.84Å; V127-R335 VanDerWaalsContact O-NH1 3.07Å; V127-R335 PolarHBondContact O-NH2 3.32Å; V127-Y339 HydrophobicContact CG1-CE1 3.83Å
128	G	98.8	Very high	98.3	Very high	5 Å²	5	16.1 Å²	16.1	5%	0.052	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-175.9	-174	0	0	0	0	0	115.7	F113 L126 F196	F113-G128 CarbonylContact C-O 3.51Å; F113-G128 PolarHBondContact N-O 3.23Å; F113-G128 CarbonylContact O-C 3.38Å; F113-G128 WeakPolarHBondContact O-CA 3.26Å; F113-G128 PolarHBondContact O-N 3.31Å; L126-G128 PolarHBondContact O-N 2.71Å; G128-F196 CarbonylContact C-O 3.27Å; G128-F196 WeakPolarHBondContact CA-O 3.3Å
129	N	98.9	Very high	98.2	Very high	17 Å²	17	17.5 Å²	17.5	9%	0.091	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	171.8	171.5	-78.8	-32.9	0	0	0	110.3	I110 R111 G112 T131 G195 F196	I110-N129 HydrophobicContact CG2-CB 3.76Å; I110-N129 VanDerWaalsContact CG2-CG 3.49Å; R111-N129 CarbonylContact O-C 3.48Å; R111-N129 VanDerWaalsContact O-CA 3.24Å; R111-N129 WeakPolarHBondContact O-CA 3.1Å; G112-N129 WeakPolarHBondContact CA-OD1 3.31Å; N129-T131 HydrophobicContact CB-CG2 3.91Å; N129-T131 PolarHBondContact O-N 2.93Å; N129-G195 CarbonylContact O-C 3.5Å; N129-G195 WeakPolarHBondContact O-CA 3.34Å; N129-F196 PolarHBondContact N-O 3.43Å; N129-F196 PolarHBondContact O-N 2.96Å
130	N	98.9	Very high	98.2	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.091	13%	0.125	C	C	.	.	S	Bend	trans	-77.5	9.7	171.9	77.2	-31.5	0	0	0	114.3	R111 M193 H194 F196	R111-N130 HydrophobicContact CB-CB 3.99Å; R111-N130 PolarHBondContact N-OD1 2.81Å; R111-N130 PolarHBondContact O-N 3.25Å; R111-N130 PolarHBondContact O-OD1 2.68Å; N130-M193 HydrophobicContact CB-CB 4.33Å; N130-M193 HydrophobicContact CB-CG 4.35Å; N130-M193 HydrophobicContact CB-SD 3.82Å; N130-H194 WeakPolarHBondContact CA-O 2.99Å; N130-H194 VanDerWaalsContact CB-O 3.32Å; N130-H194 WeakPolarHBondContact CB-O 3.36Å; N130-F196 WeakPolarHBondContact O-CE2 3.24Å
131	T	98.9	Very high	98.2	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.006	11%	0.114	C	C	.	.	S	Bend	trans	-129.2	141.2	178.6	172.4	0	0	0	0	110.5	I110 N129 V133 Q176 S198	I110-T131 HydrophobicContact CD1-CG2 3.93Å; I110-T131 HydrophobicContact CG1-CG2 4.01Å; I110-T131 HydrophobicContact CG2-CG2 4.06Å; N129-T131 HydrophobicContact CB-CG2 3.91Å; N129-T131 PolarHBondContact O-N 2.93Å; T131-V133 VanDerWaalsContact CG2-O 3.25Å; T131-V133 WeakPolarHBondContact CG2-O 3.38Å; T131-V133 PolarHBondContact O-N 3.1Å; T131-V133 PolarHBondContact OG1-N 3.45Å; T131-V133 PolarHBondContact OG1-O 2.83Å; T131-Q176 VanDerWaalsContact CG2-OE1 3.29Å; T131-Q176 PolarHBondContact OG1-OE1 2.98Å; T131-S198 PolarHBondContact O-OG 3.28Å
132	P	98.8	Very high	98.2	Very high	30 Å²	30	22.6 Å²	22.6	20%	0.195	12%	0.118	C	C	.	.	S	Bend	trans	-75.3	-10.8	177.9	32.7	-37.2	0	0	0	113.6	F196 S198 V283	P132-F196 HydrophobicContact CB-CB 4.47Å; P132-F196 HydrophobicContact CB-CD1 3.76Å; P132-F196 HydrophobicContact CB-CD2 4.5Å; P132-F196 HydrophobicContact CB-CE1 4.06Å; P132-F196 HydrophobicContact CB-CG 3.99Å; P132-F196 HydrophobicContact CG-CE1 4.47Å; P132-S198 VanDerWaalsContact O-CA 3.28Å; P132-S198 WeakPolarHBondContact O-CA 3.48Å; P132-S198 WeakPolarHBondContact O-CB 3.35Å; P132-V283 HydrophobicContact CB-CG1 3.83Å; P132-V283 HydrophobicContact CG-CG1 3.72Å
133	V	98.9	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.138	C	C	.	.			trans	-128.4	179	-177.2	-61.9	0	0	0	0	111.5	T131 H175 Q176 I179 L280 V283	T131-V133 VanDerWaalsContact CG2-O 3.25Å; T131-V133 WeakPolarHBondContact CG2-O 3.38Å; T131-V133 PolarHBondContact O-N 3.1Å; T131-V133 PolarHBondContact OG1-N 3.45Å; T131-V133 PolarHBondContact OG1-O 2.83Å; V133-H175 HydrophobicContact CG2-CB 4.49Å; V133-Q176 HydrophobicContact CG2-CB 4.36Å; V133-Q176 PolarHBondContact O-OE1 2.77Å; V133-Q176 VanDerWaalsContact O-OE1 3.08Å; V133-I179 HydrophobicContact CG2-CD1 3.53Å; V133-L280 CarbonylContact C-O 3.54Å; V133-L280 WeakPolarHBondContact CA-O 3.27Å; V133-L280 VanDerWaalsContact CB-O 3.23Å; V133-L280 WeakPolarHBondContact CB-O 3.25Å; V133-V283 HydrophobicContact CG1-CG1 3.58Å
134	F	98.8	Very high	98.2	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.053	15%	0.152	C	C	.	.			trans	-140.1	175.7	174	-154.8	-114.5	0	0	0	111.3	I110 F136 F142 L145 L280 M331	I110-F134 HydrophobicContact CD1-CD2 3.84Å; I110-F134 HydrophobicContact CD1-CE2 3.69Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 HydrophobicContact CD1-CE1 4.31Å; F134-F136 HydrophobicContact CD1-CZ 4.29Å; F134-F136 AromaticContact CE1-CE1 3.99Å; F134-F136 HydrophobicContact CE1-CE1 3.99Å; F134-F136 AromaticContact CE1-CZ 3.87Å; F134-F136 HydrophobicContact CE1-CZ 3.87Å; F134-F136 PolarHBondContact O-N 3.28Å; F134-F142 HydrophobicContact CE1-CD2 4.2Å; F134-F142 AromaticContact CE1-CE2 4Å; F134-F142 HydrophobicContact CE1-CE2 4Å; F134-F142 HydrophobicContact CZ-CE2 4.05Å; F134-L145 HydrophobicContact CE1-CD2 3.6Å; F134-L145 HydrophobicContact CZ-CD2 3.61Å; F134-L280 HydrophobicContact CB-CD2 3.46Å; F134-L280 VanDerWaalsContact CB-CD2 3.46Å; F134-L280 HydrophobicContact CB-CG 3.66Å; F134-L280 HydrophobicContact CD1-CD2 4.47Å; F134-L280 HydrophobicContact CG-CD2 4.21Å; F134-L280 PolarHBondContact N-O 3.1Å; F134-M331 HydrophobicContact CD1-CE 3.74Å; F134-M331 HydrophobicContact CE1-CE 4.09Å
135	F	98.4	Very high	98.2	Very high	8 Å²	8	28.1 Å²	28.1	4%	0.035	15%	0.152	C	C	.	.	S	Bend	trans	-70.8	-19.7	-173.5	-59.5	-81.7	0	0	0	115.1	I110 L145 W167 A173 Q176 V177 L180	I110-F135 HydrophobicContact CD1-CD2 4.24Å; I110-F135 HydrophobicContact CD1-CE2 3.46Å; I110-F135 VanDerWaalsContact CD1-CE2 3.46Å; I110-F135 HydrophobicContact CD1-CZ 3.91Å; I110-F135 HydrophobicContact CG1-CE2 4.41Å; I110-F135 HydrophobicContact CG1-CZ 4.48Å; F135-L145 HydrophobicContact CD2-CD1 4.01Å; F135-L145 HydrophobicContact CD2-CD2 4.04Å; F135-L145 HydrophobicContact CE2-CD1 4.44Å; F135-L145 HydrophobicContact CG-CD1 4.33Å; F135-W167 AromaticContact CD1-CE2 3.99Å; F135-W167 HydrophobicContact CD1-CZ2 4.35Å; F135-W167 AromaticContact CD1-NE1 3.63Å; F135-W167 AromaticContact CE1-CE2 3.68Å; F135-W167 HydrophobicContact CE1-CH2 4.39Å; F135-W167 AromaticContact CE1-CZ2 3.58Å; F135-W167 HydrophobicContact CE1-CZ2 3.58Å; F135-W167 AromaticContact CE1-NE1 3.76Å; F135-W167 AromaticContact CZ-CZ2 3.87Å; F135-W167 HydrophobicContact CZ-CZ2 3.87Å; F135-A173 HydrophobicContact CB-CB 4.3Å; F135-A173 WeakPolarHBondContact O-CA 3.44Å; F135-A173 WeakPolarHBondContact O-CB 3.43Å; F135-A173 PolarHBondContact O-N 2.78Å; F135-Q176 HydrophobicContact CD1-CB 3.81Å; F135-Q176 HydrophobicContact CD1-CG 3.6Å; F135-Q176 HydrophobicContact CD2-CG 4.04Å; F135-Q176 HydrophobicContact CE1-CB 4.14Å; F135-Q176 HydrophobicContact CE1-CG 3.53Å; F135-Q176 HydrophobicContact CE2-CG 3.99Å; F135-Q176 HydrophobicContact CG-CB 4.17Å; F135-Q176 HydrophobicContact CG-CG 3.86Å; F135-Q176 HydrophobicContact CZ-CG 3.73Å; F135-V177 HydrophobicContact CD1-CG2 4.24Å; F135-V177 HydrophobicContact CE1-CG2 4.3Å; F135-L180 HydrophobicContact CE1-CD2 4.21Å; F135-L180 HydrophobicContact CZ-CD2 4.03Å
136	F	96.8	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.			trans	-160.1	170.4	-178.5	51	-91.7	0	0	0	110.1	F134 D138 L141 F142 L145 L170 E172 M331	F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 HydrophobicContact CD1-CE1 4.31Å; F134-F136 HydrophobicContact CD1-CZ 4.29Å; F134-F136 AromaticContact CE1-CE1 3.99Å; F134-F136 HydrophobicContact CE1-CE1 3.99Å; F134-F136 AromaticContact CE1-CZ 3.87Å; F134-F136 HydrophobicContact CE1-CZ 3.87Å; F134-F136 PolarHBondContact O-N 3.28Å; F136-D138 WeakPolarHBondContact CD2-O 3.36Å; F136-D138 WeakPolarHBondContact CE2-O 3.45Å; F136-L141 HydrophobicContact CB-CD1 4.15Å; F136-L141 HydrophobicContact CD1-CB 4.42Å; F136-L141 HydrophobicContact CD2-CB 3.81Å; F136-L141 HydrophobicContact CD2-CD1 4.5Å; F136-L141 HydrophobicContact CE2-CB 3.93Å; F136-L141 HydrophobicContact CG-CB 4.08Å; F136-L141 HydrophobicContact CG-CD1 4.29Å; F136-L141 HydrophobicContact CZ-CB 4.36Å; F136-F142 HydrophobicContact CE2-CB 4.17Å; F136-F142 HydrophobicContact CE2-CD2 4.31Å; F136-F142 HydrophobicContact CZ-CB 4.05Å; F136-F142 AromaticContact CZ-CD2 3.83Å; F136-F142 HydrophobicContact CZ-CD2 3.83Å; F136-F142 HydrophobicContact CZ-CG 4.36Å; F136-L145 HydrophobicContact CE1-CB 3.58Å; F136-L145 HydrophobicContact CE1-CD1 4.2Å; F136-L145 HydrophobicContact CE1-CD2 3.61Å; F136-L145 HydrophobicContact CE1-CG 3.95Å; F136-L145 HydrophobicContact CZ-CB 3.96Å; F136-L145 HydrophobicContact CZ-CD2 3.97Å; F136-L170 HydrophobicContact CB-CD1 4.44Å; F136-E172 HydrophobicContact CB-CG 4.41Å; F136-M331 HydrophobicContact CD2-CE 3.89Å; F136-M331 HydrophobicContact CD2-SD 3.6Å; F136-M331 VanDerWaalsContact CD2-SD 3.6Å; F136-M331 HydrophobicContact CE2-CE 3.41Å; F136-M331 VanDerWaalsContact CE2-CE 3.41Å; F136-M331 HydrophobicContact CE2-SD 3.47Å; F136-M331 WeakPolarHBondContact CE2-SD 3.42Å; F136-M331 HydrophobicContact CZ-CE 4.07Å
137	R	97.1	Very high	98.1	Very high	5 Å²	5	35.3 Å²	35.3	2%	0.019	18%	0.18	C	C	.	.	S	Bend	trans	-119	8.4	-168.5	55.8	-175.8	-177.5	178.2	3.4	114.7	D279 T281 Q419 D423	R137-D279 WeakPolarHBondContact CB-OD1 3.48Å; R137-D279 VanDerWaalsContact CD-CG 3.48Å; R137-D279 WeakPolarHBondContact CD-OD1 3.38Å; R137-D279 WeakPolarHBondContact CD-OD2 3.43Å; R137-D279 IonicContact CZ-OD2 2.77Å; R137-D279 IonicContact NE-OD2 3.65Å; R137-D279 IonicContact NH1-OD2 2.59Å; R137-D279 PolarHBondContact NH1-OD2 3.1Å; R137-T281 HydrophobicContact CB-CG2 4.27Å; R137-Q419 PolarHBondContact NH2-O 3.32Å; R137-Q419 PolarHBondContact O-NE2 2.93Å; R137-D423 VanDerWaalsContact CZ-O 3.26Å; R137-D423 PolarHBondContact NH1-O 2.97Å; R137-D423 IonicContact NH1-OD1 3.06Å; R137-D423 PolarHBondContact NH2-O 3.5Å
138	D	98	Very high	98.1	Very high	38 Å²	38	35.3 Å²	35.3	20%	0.203	18%	0.18	C	C	.	.			trans	-131.2	126.6	174.3	-157.7	-72.1	0	0	0	112.3	F136 K140 L141 Q419	F136-D138 WeakPolarHBondContact CD2-O 3.36Å; F136-D138 WeakPolarHBondContact CE2-O 3.45Å; D138-K140 PolarHBondContact O-N 3.14Å; D138-K140 VanDerWaalsContact O-N 3.13Å; D138-K140 WeakPolarHBondContact OD1-CB 3.41Å; D138-K140 WeakPolarHBondContact OD1-CG 3.16Å; D138-K140 PolarHBondContact OD1-N 3.11Å; D138-K140 VanDerWaalsContact OD1-N 3.1Å; D138-L141 PolarHBondContact O-N 3.02Å; D138-Q419 PolarHBondContact OD2-NE2 3.43Å; D138-Q419 VanDerWaalsContact OD2-NE2 3.16Å
139	P	98.1	Very high	98	Very high	41 Å²	41	35.9 Å²	35.9	27%	0.266	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-66.5	-18.1	-174.1	28.8	-37.8	0	0	0	113.5	L141 F142 K330 M331	P139-L141 PolarHBondContact O-N 2.81Å; P139-L141 VanDerWaalsContact O-N 3.15Å; P139-F142 WeakPolarHBondContact O-CB 3.48Å; P139-F142 PolarHBondContact O-N 3.29Å; P139-K330 WeakPolarHBondContact CD-O 3.28Å; P139-K330 WeakPolarHBondContact CG-O 3.15Å; P139-M331 VanDerWaalsContact CA-SD 3.58Å; P139-M331 HydrophobicContact CB-SD 4.21Å; P139-M331 VanDerWaalsContact N-SD 3.43Å
140	K	96.8	Very high	98	Very high	142 Å²	142	35.6 Å²	35.6	62%	0.617	18%	0.181	S	C	*	.	G	3₁₀ helix	trans	-56.4	-29.9	175.7	-73.8	-178	175.5	-178.2	0	112.1	D138 E416	D138-K140 PolarHBondContact O-N 3.14Å; D138-K140 VanDerWaalsContact O-N 3.13Å; D138-K140 WeakPolarHBondContact OD1-CB 3.41Å; D138-K140 WeakPolarHBondContact OD1-CG 3.16Å; D138-K140 PolarHBondContact OD1-N 3.11Å; D138-K140 VanDerWaalsContact OD1-N 3.1Å; K140-E416 IonicContact NZ-OE1 2.72Å; K140-E416 PolarHBondContact NZ-OE1 3.23Å
141	L	97.1	Very high	98	Very high	48 Å²	48	39.9 Å²	39.9	25%	0.251	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-82.1	-8.5	-178.8	-66.4	177.9	0	0	0	114.2	F136 D138 P139 V143 S144 L145 F166 L170	F136-L141 HydrophobicContact CB-CD1 4.15Å; F136-L141 HydrophobicContact CD1-CB 4.42Å; F136-L141 HydrophobicContact CD2-CB 3.81Å; F136-L141 HydrophobicContact CD2-CD1 4.5Å; F136-L141 HydrophobicContact CE2-CB 3.93Å; F136-L141 HydrophobicContact CG-CB 4.08Å; F136-L141 HydrophobicContact CG-CD1 4.29Å; F136-L141 HydrophobicContact CZ-CB 4.36Å; D138-L141 PolarHBondContact O-N 3.02Å; P139-L141 PolarHBondContact O-N 2.81Å; P139-L141 VanDerWaalsContact O-N 3.15Å; L141-V143 VanDerWaalsContact C-N 3.31Å; L141-V143 PolarHBondContact O-N 3.36Å; L141-S144 WeakPolarHBondContact O-CB 3.44Å; L141-S144 PolarHBondContact O-N 3.03Å; L141-L145 PolarHBondContact O-N 2.81Å; L141-F166 HydrophobicContact CB-CZ 4.38Å; L141-L170 HydrophobicContact CD1-CD1 3.96Å; L141-L170 HydrophobicContact CD1-CD2 3.76Å
142	F	98.3	Very high	98	Very high	64 Å²	64	41 Å²	41	28%	0.281	20%	0.201	S	C	.	.	H	α-helix	trans	-65.9	-32.8	-173.8	-164.6	-89.9	0	0	0	113.6	M55 F134 F136 P139 N146 M331	M55-F142 HydrophobicContact CE-CE1 4.36Å; M55-F142 HydrophobicContact CE-CZ 3.98Å; M55-F142 HydrophobicContact CG-CE1 3.88Å; M55-F142 HydrophobicContact CG-CZ 4.05Å; F134-F142 HydrophobicContact CE1-CD2 4.2Å; F134-F142 AromaticContact CE1-CE2 4Å; F134-F142 HydrophobicContact CE1-CE2 4Å; F134-F142 HydrophobicContact CZ-CE2 4.05Å; F136-F142 HydrophobicContact CE2-CB 4.17Å; F136-F142 HydrophobicContact CE2-CD2 4.31Å; F136-F142 HydrophobicContact CZ-CB 4.05Å; F136-F142 AromaticContact CZ-CD2 3.83Å; F136-F142 HydrophobicContact CZ-CD2 3.83Å; F136-F142 HydrophobicContact CZ-CG 4.36Å; P139-F142 WeakPolarHBondContact O-CB 3.48Å; P139-F142 PolarHBondContact O-N 3.29Å; F142-N146 PolarHBondContact O-N 2.74Å; F142-M331 HydrophobicContact CD2-CE 4.31Å
143	V	97.3	Very high	98	Very high	93 Å²	93	45.8 Å²	45.8	56%	0.564	23%	0.233	S	C	*	.	H	α-helix	trans	-64.8	-44.2	173	179.6	0	0	0	0	110.1	L141 N146 R147	L141-V143 VanDerWaalsContact C-N 3.31Å; L141-V143 PolarHBondContact O-N 3.36Å; V143-N146 WeakPolarHBondContact O-CB 3.44Å; V143-N146 PolarHBondContact O-N 2.84Å; V143-R147 WeakPolarHBondContact O-CG 3.41Å; V143-R147 PolarHBondContact O-N 3.32Å
144	S	97.8	Very high	97.9	Very high	55 Å²	55	56.9 Å²	56.9	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-62	-45.2	177.5	-56.3	0	0	0	0	111.6	L141 N146 R147 A148 F166	L141-S144 WeakPolarHBondContact O-CB 3.44Å; L141-S144 PolarHBondContact O-N 3.03Å; S144-N146 VanDerWaalsContact C-N 3.34Å; S144-N146 PolarHBondContact O-N 3.03Å; S144-R147 PolarHBondContact O-N 3.05Å; S144-R147 VanDerWaalsContact O-N 3.09Å; S144-A148 WeakPolarHBondContact O-CB 3.29Å; S144-A148 PolarHBondContact O-N 2.74Å; S144-F166 VanDerWaalsContact CB-CE2 3.45Å
145	L	97.9	Very high	97.9	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	29%	0.291	C	S	.	.	H	α-helix	trans	-55.2	-49.2	173.2	178.4	74.5	0	0	0	111.3	M55 F134 F135 F136 L141 R147 A148 V149 F166	M55-L145 HydrophobicContact CE-CD2 4.39Å; F134-L145 HydrophobicContact CE1-CD2 3.6Å; F134-L145 HydrophobicContact CZ-CD2 3.61Å; F135-L145 HydrophobicContact CD2-CD1 4.01Å; F135-L145 HydrophobicContact CD2-CD2 4.04Å; F135-L145 HydrophobicContact CE2-CD1 4.44Å; F135-L145 HydrophobicContact CG-CD1 4.33Å; F136-L145 HydrophobicContact CE1-CB 3.58Å; F136-L145 HydrophobicContact CE1-CD1 4.2Å; F136-L145 HydrophobicContact CE1-CD2 3.61Å; F136-L145 HydrophobicContact CE1-CG 3.95Å; F136-L145 HydrophobicContact CZ-CB 3.96Å; F136-L145 HydrophobicContact CZ-CD2 3.97Å; L141-L145 PolarHBondContact O-N 2.81Å; L145-R147 PolarHBondContact O-N 3.37Å; L145-A148 PolarHBondContact O-N 3.28Å; L145-V149 HydrophobicContact CD1-CG1 3.65Å; L145-V149 HydrophobicContact CG-CG1 4.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.44Å; L145-V149 PolarHBondContact O-N 2.86Å; L145-F166 HydrophobicContact CB-CE1 3.84Å; L145-F166 HydrophobicContact CB-CZ 4.19Å; L145-F166 HydrophobicContact CD1-CD1 4.3Å; L145-F166 HydrophobicContact CD1-CE1 3.83Å; L145-F166 HydrophobicContact CG-CE1 4.47Å
146	N	98	Very high	97.9	Very high	6 Å²	6	64 Å²	64	3%	0.032	32%	0.316	C	S	.	.	H	α-helix	trans	-54.3	-38.9	179.1	179.9	-90.2	0	0	0	111.9	R54 M55 F142 V143 S144 K150	R54-N146 PolarHBondContact NE-ND2 2.82Å; R54-N146 PolarHBondContact NE-OD1 3.25Å; R54-N146 VanDerWaalsContact NE-OD1 3.16Å; R54-N146 PolarHBondContact NH2-OD1 3.16Å; R54-N146 PolarHBondContact O-ND2 3.24Å; R54-N146 VanDerWaalsContact O-ND2 3.08Å; M55-N146 WeakPolarHBondContact CG-ND2 3.4Å; M55-N146 HydrophobicContact SD-CB 4.17Å; M55-N146 PolarHBondContact SD-ND2 2.87Å; F142-N146 PolarHBondContact O-N 2.74Å; V143-N146 WeakPolarHBondContact O-CB 3.44Å; V143-N146 PolarHBondContact O-N 2.84Å; S144-N146 VanDerWaalsContact C-N 3.34Å; S144-N146 PolarHBondContact O-N 3.03Å; N146-K150 WeakPolarHBondContact O-CB 3.2Å; N146-K150 WeakPolarHBondContact O-CD 3.48Å; N146-K150 VanDerWaalsContact O-CG 3.24Å; N146-K150 WeakPolarHBondContact O-CG 3.44Å; N146-K150 PolarHBondContact O-N 3.01Å
147	R	98.1	Very high	98	Very high	148 Å²	148	69.7 Å²	69.7	56%	0.558	34%	0.344	S	S	*	.	H	α-helix	trans	-75	-44.1	179.3	-55.3	-45.7	175.4	169.3	-1	111.6	V143 S144 L145 V149 K150	V143-R147 WeakPolarHBondContact O-CG 3.41Å; V143-R147 PolarHBondContact O-N 3.32Å; S144-R147 PolarHBondContact O-N 3.05Å; S144-R147 VanDerWaalsContact O-N 3.09Å; L145-R147 PolarHBondContact O-N 3.37Å; R147-V149 PolarHBondContact O-N 2.9Å; R147-K150 PolarHBondContact O-N 3.26Å
148	A	98.1	Very high	98	Very high	9 Å²	9	74.7 Å²	74.7	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-41.2	-177.9	0	0	0	0	0	112.9	S144 L145 F166	S144-A148 WeakPolarHBondContact O-CB 3.29Å; S144-A148 PolarHBondContact O-N 2.74Å; L145-A148 PolarHBondContact O-N 3.28Å; A148-F166 HydrophobicContact CB-CB 3.69Å; A148-F166 HydrophobicContact CB-CD1 3.93Å; A148-F166 HydrophobicContact CB-CG 3.86Å
149	V	98.2	Very high	98.1	Very high	18 Å²	18	75.3 Å²	75.3	11%	0.109	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-9.1	-176.2	-51.5	0	0	0	0	114.3	A98 L145 R147 N163 W167	A98-V149 HydrophobicContact CB-CB 4.49Å; A98-V149 HydrophobicContact CB-CG2 4.1Å; L145-V149 HydrophobicContact CD1-CG1 3.65Å; L145-V149 HydrophobicContact CG-CG1 4.26Å; L145-V149 WeakPolarHBondContact O-CG2 3.44Å; L145-V149 PolarHBondContact O-N 2.86Å; R147-V149 PolarHBondContact O-N 2.9Å; V149-N163 WeakPolarHBondContact CG1-OD1 3.24Å; V149-W167 HydrophobicContact CG1-CZ2 4.24Å
150	K	98.6	Very high	98.1	Very high	10 Å²	10	74.7 Å²	74.7	4%	0.043	37%	0.365	C	S	.	.	S	Bend	trans	-102.3	-152.9	179.1	-70.5	-176.6	162.7	-82.1	0	110.6	R54 A98 N146 R147	R54-K150 WeakPolarHBondContact O-CE 3.39Å; A98-K150 PolarHBondContact O-NZ 3.38Å; N146-K150 WeakPolarHBondContact O-CB 3.2Å; N146-K150 WeakPolarHBondContact O-CD 3.48Å; N146-K150 VanDerWaalsContact O-CG 3.24Å; N146-K150 WeakPolarHBondContact O-CG 3.44Å; N146-K150 PolarHBondContact O-N 3.01Å; R147-K150 PolarHBondContact O-N 3.26Å
151	R	98.7	Very high	98.2	Very high	107 Å²	107	70 Å²	70	40%	0.404	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-81.9	129.1	-172.7	-63.7	175.2	-173.7	-87.4	-3	110.5	E100 N156 M157	E100-R151 VanDerWaalsContact CD-NE 3.26Å; E100-R151 WeakPolarHBondContact OE1-CD 3.32Å; E100-R151 IonicContact OE1-CZ 3.37Å; E100-R151 IonicContact OE1-NE 3.08Å; E100-R151 PolarHBondContact OE1-NE 2.94Å; E100-R151 IonicContact OE1-NH2 3.88Å; E100-R151 IonicContact OE2-CZ 3.76Å; E100-R151 IonicContact OE2-NE 3.56Å; E100-R151 PolarHBondContact OE2-NE 2.75Å; E100-R151 IonicContact OE2-NH2 3.28Å; E100-R151 PolarHBondContact OE2-NH2 3.28Å; R151-N156 VanDerWaalsContact CD-O 3.3Å; R151-N156 WeakPolarHBondContact CD-O 3.35Å; R151-N156 VanDerWaalsContact CD-OD1 3.25Å; R151-N156 WeakPolarHBondContact CD-OD1 3.44Å; R151-N156 WeakPolarHBondContact CG-O 3.17Å; R151-N156 PolarHBondContact NH1-O 3.04Å; R151-M157 CarbonylContact C-O 3.49Å; R151-M157 WeakPolarHBondContact CA-O 3.28Å
152	D	98.5	Very high	98.2	Very high	24 Å²	24	70.5 Å²	70.5	13%	0.128	35%	0.348	C	S	.	.			trans	-56.8	136.1	168.8	171.4	-88.5	0	0	0	109.9	R154 T155 N156 M157 D159 N162	D152-R154 PolarHBondContact O-N 3.03Å; D152-R154 VanDerWaalsContact O-N 3.16Å; D152-R154 WeakPolarHBondContact OD1-CA 3.46Å; D152-R154 VanDerWaalsContact OD1-CB 3.32Å; D152-R154 WeakPolarHBondContact OD1-CB 3.5Å; D152-R154 PolarHBondContact OD1-N 2.99Å; D152-T155 WeakPolarHBondContact CB-OG1 3.33Å; D152-T155 PolarHBondContact OD1-N 3.49Å; D152-N156 VanDerWaalsContact O-CA 3.31Å; D152-N156 WeakPolarHBondContact O-CA 3.42Å; D152-N156 PolarHBondContact O-N 3.13Å; D152-M157 PolarHBondContact N-O 3.45Å; D152-D159 HydrophobicContact CB-CB 4.08Å; D152-N162 PolarHBondContact OD2-ND2 2.84Å; D152-N162 VanDerWaalsContact OD2-ND2 3.11Å
153	P	98.3	Very high	98.2	Very high	131 Å²	131	68.9 Å²	68.9	85%	0.851	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.2	-174.1	26	-36.9	0	0	0	114.5
154	R	98.1	Very high	98.3	Very high	233 Å²	233	64.5 Å²	64.5	88%	0.879	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-45.9	179.1	-176.6	179	-178.5	177.9	0.2	111.8	D152	D152-R154 PolarHBondContact O-N 3.03Å; D152-R154 VanDerWaalsContact O-N 3.16Å; D152-R154 WeakPolarHBondContact OD1-CA 3.46Å; D152-R154 VanDerWaalsContact OD1-CB 3.32Å; D152-R154 WeakPolarHBondContact OD1-CB 3.5Å; D152-R154 PolarHBondContact OD1-N 2.99Å
155	T	98.3	Very high	98.2	Very high	66 Å²	66	64.6 Å²	64.6	41%	0.405	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-20.1	-174.9	73	0	0	0	0	113	D152 M157	D152-T155 WeakPolarHBondContact CB-OG1 3.33Å; D152-T155 PolarHBondContact OD1-N 3.49Å; T155-M157 HydrophobicContact CG2-CE 4.47Å; T155-M157 PolarHBondContact O-N 2.93Å; T155-M157 VanDerWaalsContact O-N 3.14Å; T155-M157 PolarHBondContact OG1-N 3.4Å
156	N	98.5	Very high	98.2	Very high	105 Å²	105	65.6 Å²	65.6	56%	0.561	32%	0.316	S	S	*	.			trans	55.5	20.4	-170.9	-162.3	47.1	0	0	0	113.7	R151 D152	R151-N156 VanDerWaalsContact CD-O 3.3Å; R151-N156 WeakPolarHBondContact CD-O 3.35Å; R151-N156 VanDerWaalsContact CD-OD1 3.25Å; R151-N156 WeakPolarHBondContact CD-OD1 3.44Å; R151-N156 WeakPolarHBondContact CG-O 3.17Å; R151-N156 PolarHBondContact NH1-O 3.04Å; D152-N156 VanDerWaalsContact O-CA 3.31Å; D152-N156 WeakPolarHBondContact O-CA 3.42Å; D152-N156 PolarHBondContact O-N 3.13Å
157	M	98.4	Very high	98.2	Very high	118 Å²	118	65.9 Å²	65.9	58%	0.581	32%	0.317	S	S	*	.	S	Bend	trans	-111.6	159	173.9	-64	-177.2	-72.9	0	0	109.3	R151 D152 T155	R151-M157 CarbonylContact C-O 3.49Å; R151-M157 WeakPolarHBondContact CA-O 3.28Å; D152-M157 PolarHBondContact N-O 3.45Å; T155-M157 HydrophobicContact CG2-CE 4.47Å; T155-M157 PolarHBondContact O-N 2.93Å; T155-M157 VanDerWaalsContact O-N 3.14Å; T155-M157 PolarHBondContact OG1-N 3.4Å
158	R	98	Very high	98.1	Very high	110 Å²	110	58.9 Å²	58.9	42%	0.415	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-62.6	141.7	165.3	-69.7	-171	-177.9	151.4	10.2	108.4	E107	E107-R158 IonicContact OE2-CZ 3.85Å; E107-R158 IonicContact OE2-NH1 3.95Å; E107-R158 PolarHBondContact OE2-NH1 3Å; E107-R158 IonicContact OE2-NH2 2.97Å; E107-R158 PolarHBondContact OE2-NH2 3.43Å
159	D	98.3	Very high	97.9	Very high	51 Å²	51	58.4 Å²	58.4	27%	0.273	29%	0.287	S	S	.	.			trans	-123.1	115.4	-179.7	-174.8	-15.4	0	0	0	108.9	D152 Q161 N162 N163	D152-D159 HydrophobicContact CB-CB 4.08Å; D159-Q161 PolarHBondContact O-N 3.36Å; D159-Q161 VanDerWaalsContact OD1-CB 3.26Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.05Å; D159-Q161 PolarHBondContact OD1-N 2.74Å; D159-N162 HydrophobicContact CB-CB 4.07Å; D159-N162 WeakPolarHBondContact CB-ND2 3.48Å; D159-N162 PolarHBondContact O-N 2.92Å; D159-N162 PolarHBondContact OD2-ND2 3.02Å; D159-N163 PolarHBondContact O-N 2.86Å; D159-N163 VanDerWaalsContact O-N 3.16Å
160	A	98.5	Very high	97.8	Very high	29 Å²	29	57.9 Å²	57.9	24%	0.24	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-34.8	179	0	0	0	0	0	111.4	N163 W164 V456	A160-N163 PolarHBondContact O-N 2.93Å; A160-W164 WeakPolarHBondContact O-CB 3.4Å; A160-W164 VanDerWaalsContact O-CD1 3.23Å; A160-W164 PolarHBondContact O-N 3.21Å; A160-V456 HydrophobicContact CB-CG2 3.67Å
161	Q	98.3	Very high	97.6	Very high	42 Å²	42	57.4 Å²	57.4	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-50.6	177.8	-175.6	64.1	35.8	0	0	110.7	D159 N163 W164 D165 T457	D159-Q161 PolarHBondContact O-N 3.36Å; D159-Q161 VanDerWaalsContact OD1-CB 3.26Å; D159-Q161 WeakPolarHBondContact OD1-CB 3.05Å; D159-Q161 PolarHBondContact OD1-N 2.74Å; Q161-N163 VanDerWaalsContact C-N 3.27Å; Q161-N163 PolarHBondContact O-N 2.8Å; Q161-W164 PolarHBondContact O-N 3.14Å; Q161-D165 WeakPolarHBondContact O-CB 3.46Å; Q161-D165 PolarHBondContact O-N 3.33Å; Q161-T457 PolarHBondContact NE2-OG1 2.73Å; Q161-T457 VanDerWaalsContact NE2-OG1 3.1Å; Q161-T457 PolarHBondContact OE1-OG1 2.94Å
162	N	98.3	Very high	97.5	Very high	60 Å²	60	53 Å²	53	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-58.6	-41.8	179.3	-71.3	-22.1	0	0	0	111.6	D152 D159 F166	D152-N162 PolarHBondContact OD2-ND2 2.84Å; D152-N162 VanDerWaalsContact OD2-ND2 3.11Å; D159-N162 HydrophobicContact CB-CB 4.07Å; D159-N162 WeakPolarHBondContact CB-ND2 3.48Å; D159-N162 PolarHBondContact O-N 2.92Å; D159-N162 PolarHBondContact OD2-ND2 3.02Å; N162-F166 WeakPolarHBondContact O-CB 3.4Å; N162-F166 PolarHBondContact O-N 3.19Å
163	N	98.2	Very high	97.5	Very high	29 Å²	29	51.9 Å²	51.9	16%	0.155	26%	0.259	C	S	.	.	H	α-helix	trans	-67.9	-53.8	-178.5	-168.3	16.4	0	0	0	112	V149 D159 A160 Q161 F166 W167	V149-N163 WeakPolarHBondContact CG1-OD1 3.24Å; D159-N163 PolarHBondContact O-N 2.86Å; D159-N163 VanDerWaalsContact O-N 3.16Å; A160-N163 PolarHBondContact O-N 2.93Å; Q161-N163 VanDerWaalsContact C-N 3.27Å; Q161-N163 PolarHBondContact O-N 2.8Å; N163-F166 PolarHBondContact O-N 2.86Å; N163-W167 WeakPolarHBondContact ND2-CH2 3.46Å; N163-W167 PolarHBondContact O-N 3.03Å; N163-W167 WeakPolarHBondContact OD1-CZ2 3.49Å
164	W	98.5	Very high	97.5	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	22%	0.22	C	C	.	.	H	α-helix	trans	-74.1	-32.1	-175.5	-75.1	102.2	0	0	0	113.3	A160 Q161 F166 W167 T168 V177 M181 T449 A452 M453 V456 V460 H464	A160-W164 WeakPolarHBondContact O-CB 3.4Å; A160-W164 VanDerWaalsContact O-CD1 3.23Å; A160-W164 PolarHBondContact O-N 3.21Å; Q161-W164 PolarHBondContact O-N 3.14Å; W164-F166 VanDerWaalsContact C-N 3.29Å; W164-F166 PolarHBondContact O-N 3.1Å; W164-W167 AromaticContact CD2-CE3 3.99Å; W164-W167 HydrophobicContact CD2-CE3 3.99Å; W164-W167 HydrophobicContact CD2-CZ3 4.38Å; W164-W167 AromaticContact CE3-CE3 3.91Å; W164-W167 HydrophobicContact CE3-CE3 3.91Å; W164-W167 HydrophobicContact CH2-CE3 4.24Å; W164-W167 HydrophobicContact CH2-CZ3 4.26Å; W164-W167 HydrophobicContact CZ2-CE3 4.3Å; W164-W167 HydrophobicContact CZ2-CZ3 4.03Å; W164-W167 HydrophobicContact CZ3-CE3 4.04Å; W164-W167 PolarHBondContact O-N 3.27Å; W164-T168 HydrophobicContact CE3-CG2 4.27Å; W164-T168 VanDerWaalsContact O-CB 3.27Å; W164-T168 WeakPolarHBondContact O-CB 3.4Å; W164-T168 WeakPolarHBondContact O-CG2 3.22Å; W164-T168 PolarHBondContact O-N 3.02Å; W164-T168 PolarHBondContact O-OG1 3.46Å; W164-V177 HydrophobicContact CH2-CG1 3.91Å; W164-V177 HydrophobicContact CZ3-CG1 3.92Å; W164-M181 HydrophobicContact CH2-CG 4.4Å; W164-M181 HydrophobicContact CZ2-CE 4.23Å; W164-M181 HydrophobicContact CZ2-SD 4.42Å; W164-T449 HydrophobicContact CH2-CG2 3.98Å; W164-T449 HydrophobicContact CZ2-CG2 4.5Å; W164-A452 HydrophobicContact CZ2-CB 3.81Å; W164-A452 VanDerWaalsContact NE1-C 3.34Å; W164-A452 PolarHBondContact NE1-O 3.3Å; W164-M453 HydrophobicContact CB-CE 4.09Å; W164-M453 HydrophobicContact CD2-CE 3.86Å; W164-M453 HydrophobicContact CD2-CG 3.55Å; W164-M453 HydrophobicContact CD2-SD 4.06Å; W164-M453 HydrophobicContact CE3-CE 3.85Å; W164-M453 HydrophobicContact CE3-CG 4.09Å; W164-M453 HydrophobicContact CE3-SD 4.01Å; W164-M453 HydrophobicContact CG-CE 3.97Å; W164-M453 HydrophobicContact CG-CG 3.9Å; W164-M453 HydrophobicContact CH2-CG 4.17Å; W164-M453 HydrophobicContact CH2-SD 4.36Å; W164-M453 HydrophobicContact CZ2-CG 3.64Å; W164-M453 HydrophobicContact CZ2-SD 4.41Å; W164-M453 HydrophobicContact CZ3-CG 4.38Å; W164-M453 HydrophobicContact CZ3-SD 4.16Å; W164-V456 HydrophobicContact CB-CG1 4.2Å; W164-V456 HydrophobicContact CB-CG2 4.22Å; W164-V456 HydrophobicContact CG-CG2 4.25Å; W164-V460 HydrophobicContact CB-CG1 3.75Å; W164-H464 AromaticContact CH2-NE2 3.88Å; W164-H464 AromaticContact CZ3-CD2 3.67Å; W164-H464 AromaticContact CZ3-CE1 3.64Å; W164-H464 AromaticContact CZ3-CG 3.83Å; W164-H464 AromaticContact CZ3-ND1 3.8Å; W164-H464 AromaticContact CZ3-NE2 3.55Å
165	D	96.9	Very high	97.6	Very high	57 Å²	57	35.4 Å²	35.4	31%	0.305	18%	0.181	S	C	.	.	H	α-helix	trans	-62.6	-40.9	173.4	-173.2	32.4	0	0	0	110.9	Q161 T168 G169 V460 R463 Y500	Q161-D165 WeakPolarHBondContact O-CB 3.46Å; Q161-D165 PolarHBondContact O-N 3.33Å; D165-T168 PolarHBondContact O-OG1 3.15Å; D165-G169 PolarHBondContact O-N 3Å; D165-G169 VanDerWaalsContact O-N 3.16Å; D165-V460 HydrophobicContact CB-CG2 4.08Å; D165-R463 IonicContact OD1-CZ 3.95Å; D165-R463 IonicContact OD1-NH1 3.6Å; D165-R463 PolarHBondContact OD1-NH1 3.42Å; D165-R463 IonicContact OD1-NH2 2.74Å; D165-Y500 PolarHBondContact O-OH 2.95Å
166	F	97.1	Very high	97.6	Very high	22 Å²	22	32.4 Å²	32.4	10%	0.096	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-50.7	174.2	179.8	-106.7	0	0	0	112.6	L141 S144 L145 A148 N162 N163 W164 T168 G169 L170	L141-F166 HydrophobicContact CB-CZ 4.38Å; S144-F166 VanDerWaalsContact CB-CE2 3.45Å; L145-F166 HydrophobicContact CB-CE1 3.84Å; L145-F166 HydrophobicContact CB-CZ 4.19Å; L145-F166 HydrophobicContact CD1-CD1 4.3Å; L145-F166 HydrophobicContact CD1-CE1 3.83Å; L145-F166 HydrophobicContact CG-CE1 4.47Å; A148-F166 HydrophobicContact CB-CB 3.69Å; A148-F166 HydrophobicContact CB-CD1 3.93Å; A148-F166 HydrophobicContact CB-CG 3.86Å; N162-F166 WeakPolarHBondContact O-CB 3.4Å; N162-F166 PolarHBondContact O-N 3.19Å; N163-F166 PolarHBondContact O-N 2.86Å; W164-F166 VanDerWaalsContact C-N 3.29Å; W164-F166 PolarHBondContact O-N 3.1Å; F166-T168 PolarHBondContact O-N 2.9Å; F166-G169 PolarHBondContact O-N 2.8Å; F166-L170 HydrophobicContact CD1-CD1 4.36Å; F166-L170 HydrophobicContact CD2-CD1 4.37Å; F166-L170 HydrophobicContact CE1-CD1 3.75Å; F166-L170 HydrophobicContact CE2-CD1 3.77Å; F166-L170 HydrophobicContact CZ-CD1 3.43Å; F166-L170 VanDerWaalsContact CZ-CD1 3.43Å
167	W	97.8	Very high	97.6	Very high	12 Å²	12	27.5 Å²	27.5	5%	0.045	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-41.7	-179.5	-72.8	-16.1	0	0	0	112.7	F135 V149 N163 W164 G169 L170 V177 L180 M181	F135-W167 AromaticContact CD1-CE2 3.99Å; F135-W167 HydrophobicContact CD1-CZ2 4.35Å; F135-W167 AromaticContact CD1-NE1 3.63Å; F135-W167 AromaticContact CE1-CE2 3.68Å; F135-W167 HydrophobicContact CE1-CH2 4.39Å; F135-W167 AromaticContact CE1-CZ2 3.58Å; F135-W167 HydrophobicContact CE1-CZ2 3.58Å; F135-W167 AromaticContact CE1-NE1 3.76Å; F135-W167 AromaticContact CZ-CZ2 3.87Å; F135-W167 HydrophobicContact CZ-CZ2 3.87Å; V149-W167 HydrophobicContact CG1-CZ2 4.24Å; N163-W167 WeakPolarHBondContact ND2-CH2 3.46Å; N163-W167 PolarHBondContact O-N 3.03Å; N163-W167 WeakPolarHBondContact OD1-CZ2 3.49Å; W164-W167 AromaticContact CD2-CE3 3.99Å; W164-W167 HydrophobicContact CD2-CE3 3.99Å; W164-W167 HydrophobicContact CD2-CZ3 4.38Å; W164-W167 AromaticContact CE3-CE3 3.91Å; W164-W167 HydrophobicContact CE3-CE3 3.91Å; W164-W167 HydrophobicContact CH2-CE3 4.24Å; W164-W167 HydrophobicContact CH2-CZ3 4.26Å; W164-W167 HydrophobicContact CZ2-CE3 4.3Å; W164-W167 HydrophobicContact CZ2-CZ3 4.03Å; W164-W167 HydrophobicContact CZ3-CE3 4.04Å; W164-W167 PolarHBondContact O-N 3.27Å; W167-G169 VanDerWaalsContact C-N 3.28Å; W167-G169 PolarHBondContact O-N 3.31Å; W167-L170 CarbonylContact O-C 3.51Å; W167-L170 PolarHBondContact O-N 2.89Å; W167-L170 VanDerWaalsContact O-N 3.11Å; W167-V177 HydrophobicContact CB-CG2 4.3Å; W167-V177 HydrophobicContact CD2-CG2 3.88Å; W167-V177 HydrophobicContact CE3-CG2 3.89Å; W167-V177 HydrophobicContact CG-CG2 4.09Å; W167-V177 HydrophobicContact CZ3-CG2 4.5Å; W167-L180 HydrophobicContact CH2-CD2 3.51Å; W167-L180 HydrophobicContact CZ2-CD2 4.01Å; W167-L180 HydrophobicContact CZ3-CD2 4.38Å; W167-M181 HydrophobicContact CH2-CE 4.27Å; W167-M181 HydrophobicContact CZ3-CE 4.02Å
168	T	96.2	Very high	97.6	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-74.4	-21.1	-177.2	61.1	0	0	0	0	112.8	W164 D165 F166 L170 V460 R463 H464 H467	W164-T168 HydrophobicContact CE3-CG2 4.27Å; W164-T168 VanDerWaalsContact O-CB 3.27Å; W164-T168 WeakPolarHBondContact O-CB 3.4Å; W164-T168 WeakPolarHBondContact O-CG2 3.22Å; W164-T168 PolarHBondContact O-N 3.02Å; W164-T168 PolarHBondContact O-OG1 3.46Å; D165-T168 PolarHBondContact O-OG1 3.15Å; F166-T168 PolarHBondContact O-N 2.9Å; T168-L170 PolarHBondContact O-N 2.92Å; T168-V460 HydrophobicContact CG2-CG1 4.04Å; T168-R463 WeakPolarHBondContact O-CD 3.3Å; T168-R463 PolarHBondContact OG1-NH1 3.23Å; T168-H464 HydrophobicContact CG2-CB 3.65Å; T168-H467 PolarHBondContact O-NE2 2.72Å
169	G	94.6	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.3	169	0	0	0	0	0	115	D165 F166 W167 Y500	D165-G169 PolarHBondContact O-N 3Å; D165-G169 VanDerWaalsContact O-N 3.16Å; F166-G169 PolarHBondContact O-N 2.8Å; W167-G169 VanDerWaalsContact C-N 3.28Å; W167-G169 PolarHBondContact O-N 3.31Å; G169-Y500 WeakPolarHBondContact O-CE2 3.35Å
170	L	95.4	Very high	97.7	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.037	8%	0.083	C	C	.	.			trans	-124.6	86.6	175.3	-62.1	176.4	0	0	0	108.7	F136 L141 F166 W167 T168 E172 A173	F136-L170 HydrophobicContact CB-CD1 4.44Å; L141-L170 HydrophobicContact CD1-CD1 3.96Å; L141-L170 HydrophobicContact CD1-CD2 3.76Å; F166-L170 HydrophobicContact CD1-CD1 4.36Å; F166-L170 HydrophobicContact CD2-CD1 4.37Å; F166-L170 HydrophobicContact CE1-CD1 3.75Å; F166-L170 HydrophobicContact CE2-CD1 3.77Å; F166-L170 HydrophobicContact CZ-CD1 3.43Å; F166-L170 VanDerWaalsContact CZ-CD1 3.43Å; W167-L170 CarbonylContact O-C 3.51Å; W167-L170 PolarHBondContact O-N 2.89Å; W167-L170 VanDerWaalsContact O-N 3.11Å; T168-L170 PolarHBondContact O-N 2.92Å; L170-E172 WeakPolarHBondContact CA-OE2 3.24Å; L170-E172 HydrophobicContact CB-CG 4.35Å; L170-E172 PolarHBondContact O-N 3.03Å; L170-A173 HydrophobicContact CB-CB 4.14Å; L170-A173 WeakPolarHBondContact O-CB 3.32Å; L170-A173 PolarHBondContact O-N 2.81Å
171	P	95.4	Very high	97.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-54.6	-29.5	179	23.8	-36.1	0	0	0	112.8	A173 L174 Y426 F427	P171-A173 PolarHBondContact O-N 3.05Å; P171-A173 VanDerWaalsContact O-N 3.15Å; P171-L174 WeakPolarHBondContact O-CB 3.36Å; P171-L174 PolarHBondContact O-N 3.44Å; P171-Y426 HydrophobicContact CB-CD1 4.38Å; P171-Y426 HydrophobicContact CB-CD2 3.76Å; P171-Y426 HydrophobicContact CB-CE2 4.29Å; P171-Y426 HydrophobicContact CB-CG 3.82Å; P171-Y426 HydrophobicContact CG-CD1 4.28Å; P171-Y426 HydrophobicContact CG-CD2 3.8Å; P171-Y426 HydrophobicContact CG-CE1 4.27Å; P171-Y426 HydrophobicContact CG-CE2 3.81Å; P171-Y426 HydrophobicContact CG-CG 4.05Å; P171-F427 HydrophobicContact CB-CE1 4.1Å; P171-F427 HydrophobicContact CB-CZ 3.83Å
172	E	96.9	Very high	97.7	Very high	13 Å²	13	12.9 Å²	12.9	6%	0.061	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-61.4	-18.2	173.8	66.7	-97.6	-134.3	0	0	114.4	F136 L170 L174 T281 R420 Y426	F136-E172 HydrophobicContact CB-CG 4.41Å; L170-E172 WeakPolarHBondContact CA-OE2 3.24Å; L170-E172 HydrophobicContact CB-CG 4.35Å; L170-E172 PolarHBondContact O-N 3.03Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.08Å; E172-T281 HydrophobicContact CB-CG2 4.1Å; E172-T281 HydrophobicContact CG-CG2 4.38Å; E172-T281 WeakPolarHBondContact O-CG2 3.36Å; E172-R420 IonicContact OE1-CZ 3.62Å; E172-R420 IonicContact OE1-NH1 3.64Å; E172-R420 IonicContact OE1-NH2 3.45Å; E172-R420 PolarHBondContact OE1-NH2 3.03Å; E172-R420 IonicContact OE2-CZ 2.79Å; E172-R420 IonicContact OE2-NH1 3.9Å; E172-R420 PolarHBondContact OE2-NH1 3.2Å; E172-R420 IonicContact OE2-NH2 3.8Å; E172-R420 PolarHBondContact OE2-NH2 2.86Å; E172-R420 VanDerWaalsContact OE2-NH2 3.08Å; E172-Y426 HydrophobicContact CB-CD1 3.83Å; E172-Y426 HydrophobicContact CB-CE1 4.15Å
173	A	98.2	Very high	97.8	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-74.5	-18.4	177.8	0	0	0	0	0	113.5	F135 L170 P171 H175 Q176 V177	F135-A173 HydrophobicContact CB-CB 4.3Å; F135-A173 WeakPolarHBondContact O-CA 3.44Å; F135-A173 WeakPolarHBondContact O-CB 3.43Å; F135-A173 PolarHBondContact O-N 2.78Å; L170-A173 HydrophobicContact CB-CB 4.14Å; L170-A173 WeakPolarHBondContact O-CB 3.32Å; L170-A173 PolarHBondContact O-N 2.81Å; P171-A173 PolarHBondContact O-N 3.05Å; P171-A173 VanDerWaalsContact O-N 3.15Å; A173-H175 PolarHBondContact O-N 2.68Å; A173-H175 VanDerWaalsContact O-N 3.11Å; A173-Q176 PolarHBondContact O-N 2.83Å; A173-Q176 VanDerWaalsContact O-N 3.11Å; A173-V177 HydrophobicContact CB-CG2 4.38Å; A173-V177 WeakPolarHBondContact O-CG2 3.27Å; A173-V177 PolarHBondContact O-N 2.79Å
174	L	98.6	Very high	97.8	Very high	6 Å²	6	15.1 Å²	15.1	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-56.6	-35.3	-170.4	-175.4	65.5	0	0	0	112.6	P171 E172 V177 T178 F427 P430 H467 A471	P171-L174 WeakPolarHBondContact O-CB 3.36Å; P171-L174 PolarHBondContact O-N 3.44Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 3.08Å; L174-V177 PolarHBondContact O-N 2.92Å; L174-T178 WeakPolarHBondContact O-CB 3.43Å; L174-T178 PolarHBondContact O-N 2.73Å; L174-T178 PolarHBondContact O-OG1 3.33Å; L174-F427 HydrophobicContact CD2-CD1 3.7Å; L174-F427 HydrophobicContact CD2-CE1 4.22Å; L174-P430 HydrophobicContact CB-CG 4.22Å; L174-P430 HydrophobicContact CD2-CB 4.02Å; L174-P430 HydrophobicContact CD2-CG 4.12Å; L174-P430 HydrophobicContact CG-CB 3.99Å; L174-P430 HydrophobicContact CG-CG 4.11Å; L174-H467 HydrophobicContact CD1-CB 4.38Å; L174-H467 HydrophobicContact CD2-CB 4.22Å; L174-H467 VanDerWaalsContact CD2-O 3.28Å; L174-H467 WeakPolarHBondContact CD2-O 3.05Å; L174-A471 HydrophobicContact CD2-CB 3.74Å
175	H	98.8	Very high	97.8	Very high	13 Å²	13	15 Å²	15	6%	0.06	7%	0.071	C	C	.	.	H	α-helix	trans	-62.8	-48.8	-179.6	-162.5	178.9	0	0	0	111.5	V133 A173 T178 I179 T281 Q429 P430	V133-H175 HydrophobicContact CG2-CB 4.49Å; A173-H175 PolarHBondContact O-N 2.68Å; A173-H175 VanDerWaalsContact O-N 3.11Å; H175-T178 PolarHBondContact O-N 2.93Å; H175-I179 WeakPolarHBondContact O-CG1 3.32Å; H175-I179 PolarHBondContact O-N 3.42Å; H175-I179 VanDerWaalsContact O-N 3.12Å; H175-T281 PolarHBondContact ND1-O 3.23Å; H175-Q429 PolarHBondContact CE1-OE1 3.42Å; H175-P430 HydrophobicContact CB-CG 3.84Å
176	Q	98.9	Very high	97.9	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.009	6%	0.057	C	C	.	.	H	α-helix	trans	-71.1	-33.9	177.7	-176	54.2	50	0	0	112.2	I110 T131 V133 F135 A173 T178 I179 L180	I110-Q176 HydrophobicContact CD1-CG 3.93Å; T131-Q176 VanDerWaalsContact CG2-OE1 3.29Å; T131-Q176 PolarHBondContact OG1-OE1 2.98Å; V133-Q176 HydrophobicContact CG2-CB 4.36Å; V133-Q176 PolarHBondContact O-OE1 2.77Å; V133-Q176 VanDerWaalsContact O-OE1 3.08Å; F135-Q176 HydrophobicContact CD1-CB 3.81Å; F135-Q176 HydrophobicContact CD1-CG 3.6Å; F135-Q176 HydrophobicContact CD2-CG 4.04Å; F135-Q176 HydrophobicContact CE1-CB 4.14Å; F135-Q176 HydrophobicContact CE1-CG 3.53Å; F135-Q176 HydrophobicContact CE2-CG 3.99Å; F135-Q176 HydrophobicContact CG-CB 4.17Å; F135-Q176 HydrophobicContact CG-CG 3.86Å; F135-Q176 HydrophobicContact CZ-CG 3.73Å; A173-Q176 PolarHBondContact O-N 2.83Å; A173-Q176 VanDerWaalsContact O-N 3.11Å; Q176-T178 VanDerWaalsContact C-N 3.34Å; Q176-I179 PolarHBondContact O-N 2.78Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.22Å; Q176-L180 PolarHBondContact O-N 3.42Å
177	V	98.8	Very high	98	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.018	5%	0.054	C	C	.	.	H	α-helix	trans	-62.4	-42.7	173.1	172.6	0	0	0	0	110.6	F135 W164 W167 A173 L174 I179 L180 M181	F135-V177 HydrophobicContact CD1-CG2 4.24Å; F135-V177 HydrophobicContact CE1-CG2 4.3Å; W164-V177 HydrophobicContact CH2-CG1 3.91Å; W164-V177 HydrophobicContact CZ3-CG1 3.92Å; W167-V177 HydrophobicContact CB-CG2 4.3Å; W167-V177 HydrophobicContact CD2-CG2 3.88Å; W167-V177 HydrophobicContact CE3-CG2 3.89Å; W167-V177 HydrophobicContact CG-CG2 4.09Å; W167-V177 HydrophobicContact CZ3-CG2 4.5Å; A173-V177 HydrophobicContact CB-CG2 4.38Å; A173-V177 WeakPolarHBondContact O-CG2 3.27Å; A173-V177 PolarHBondContact O-N 2.79Å; L174-V177 PolarHBondContact O-N 2.92Å; V177-I179 PolarHBondContact O-N 2.99Å; V177-L180 PolarHBondContact O-N 2.81Å; V177-M181 HydrophobicContact CG1-CG 4.26Å; V177-M181 WeakPolarHBondContact O-CB 3.22Å; V177-M181 WeakPolarHBondContact O-CG 3.44Å; V177-M181 PolarHBondContact O-N 3.49Å
178	T	98.9	Very high	98	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-60.5	-44.4	176.2	-54	0	0	0	0	111	L174 H175 Q176 S182 L433 Y475	L174-T178 WeakPolarHBondContact O-CB 3.43Å; L174-T178 PolarHBondContact O-N 2.73Å; L174-T178 PolarHBondContact O-OG1 3.33Å; H175-T178 PolarHBondContact O-N 2.93Å; Q176-T178 VanDerWaalsContact C-N 3.34Å; T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 3.09Å; T178-L433 HydrophobicContact CG2-CD2 3.96Å; T178-L433 HydrophobicContact CG2-CG 4.39Å; T178-Y475 HydrophobicContact CG2-CE1 4.1Å; T178-Y475 PolarHBondContact OG1-OH 3.33Å
179	I	98.9	Very high	98.1	Very high	20 Å²	20	15.1 Å²	15.1	10%	0.103	7%	0.07	C	C	.	.	H	α-helix	trans	-63.3	-46.5	175.4	-66	168.3	0	0	0	110.9	V133 H175 Q176 V177 M181 S182 L433	V133-I179 HydrophobicContact CG2-CD1 3.53Å; H175-I179 WeakPolarHBondContact O-CG1 3.32Å; H175-I179 PolarHBondContact O-N 3.42Å; H175-I179 VanDerWaalsContact O-N 3.12Å; Q176-I179 PolarHBondContact O-N 2.78Å; V177-I179 PolarHBondContact O-N 2.99Å; I179-M181 VanDerWaalsContact C-N 3.34Å; I179-M181 PolarHBondContact O-N 2.7Å; I179-S182 WeakPolarHBondContact O-CB 3.12Å; I179-S182 PolarHBondContact O-N 2.92Å; I179-S182 PolarHBondContact O-OG 2.89Å; I179-L433 HydrophobicContact CD1-CD2 4.27Å; I179-L433 HydrophobicContact CG1-CD2 3.41Å; I179-L433 VanDerWaalsContact CG1-CD2 3.41Å
180	L	98.8	Very high	98.3	Very high	8 Å²	8	15.4 Å²	15.4	4%	0.042	7%	0.071	C	C	.	.	H	α-helix	trans	-66	-35.2	-177	-178.8	65	0	0	0	112.5	R108 F135 W167 Q176 V177 G185	R108-L180 WeakPolarHBondContact CD-O 3.46Å; R108-L180 HydrophobicContact CG-CD1 3.92Å; R108-L180 HydrophobicContact CG-CG 4.17Å; R108-L180 PolarHBondContact NH1-O 3.14Å; F135-L180 HydrophobicContact CE1-CD2 4.21Å; F135-L180 HydrophobicContact CZ-CD2 4.03Å; W167-L180 HydrophobicContact CH2-CD2 3.51Å; W167-L180 HydrophobicContact CZ2-CD2 4.01Å; W167-L180 HydrophobicContact CZ3-CD2 4.38Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.22Å; Q176-L180 PolarHBondContact O-N 3.42Å; V177-L180 PolarHBondContact O-N 2.81Å; L180-G185 VanDerWaalsContact O-CA 3.26Å; L180-G185 WeakPolarHBondContact O-CA 3.41Å
181	M	98.8	Very high	98.5	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.02	7%	0.074	C	C	.	.	H	α-helix	trans	-84.8	-10.9	177.2	-62.2	-56	134.9	0	0	113	W164 W167 V177 I179 N448 T449 A452	W164-M181 HydrophobicContact CH2-CG 4.4Å; W164-M181 HydrophobicContact CZ2-CE 4.23Å; W164-M181 HydrophobicContact CZ2-SD 4.42Å; W167-M181 HydrophobicContact CH2-CE 4.27Å; W167-M181 HydrophobicContact CZ3-CE 4.02Å; V177-M181 HydrophobicContact CG1-CG 4.26Å; V177-M181 WeakPolarHBondContact O-CB 3.22Å; V177-M181 WeakPolarHBondContact O-CG 3.44Å; V177-M181 PolarHBondContact O-N 3.49Å; I179-M181 VanDerWaalsContact C-N 3.34Å; I179-M181 PolarHBondContact O-N 2.7Å; M181-N448 HydrophobicContact CB-CB 4.49Å; M181-N448 WeakPolarHBondContact O-CB 3.47Å; M181-N448 PolarHBondContact O-ND2 3.19Å; M181-N448 HydrophobicContact SD-CB 4.44Å; M181-T449 WeakPolarHBondContact CG-OG1 3.37Å; M181-A452 HydrophobicContact CE-CB 4.39Å; M181-A452 HydrophobicContact SD-CB 4.1Å
182	S	98.8	Very high	98.6	Very high	10 Å²	10	16.9 Å²	16.9	7%	0.07	8%	0.077	C	C	.	.	S	Bend	trans	-70.8	176	167.6	82.3	0	0	0	0	112.1	R108 T178 I179 R184 G185	R108-S182 PolarHBondContact NH1-O 3Å; T178-S182 WeakPolarHBondContact O-CB 3.47Å; T178-S182 PolarHBondContact O-N 3.09Å; I179-S182 WeakPolarHBondContact O-CB 3.12Å; I179-S182 PolarHBondContact O-N 2.92Å; I179-S182 PolarHBondContact O-OG 2.89Å; S182-R184 PolarHBondContact O-N 3.2Å; S182-R184 VanDerWaalsContact O-N 3.1Å; S182-R184 PolarHBondContact OG-N 3.49Å; S182-G185 PolarHBondContact O-N 3.32Å
183	D	98.5	Very high	98.7	Very high	35 Å²	35	16.5 Å²	16.5	19%	0.187	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-53.4	-31.6	173.5	-61.4	-12.4	0	0	0	111.9	G185 I186 N225 R444	D183-G185 PolarHBondContact O-N 3.03Å; D183-I186 PolarHBondContact O-N 2.93Å; D183-N225 HydrophobicContact CB-CB 4.07Å; D183-N225 WeakPolarHBondContact O-CB 3.44Å; D183-N225 VanDerWaalsContact O-CG 3.24Å; D183-N225 PolarHBondContact O-OD1 2.74Å; D183-R444 IonicContact OD1-CZ 3.34Å; D183-R444 IonicContact OD1-NE 3.98Å; D183-R444 PolarHBondContact OD1-NE 3.47Å; D183-R444 IonicContact OD1-NH2 2.8Å; D183-R444 IonicContact OD2-CZ 2.78Å; D183-R444 IonicContact OD2-NE 3.67Å; D183-R444 PolarHBondContact OD2-NE 2.88Å; D183-R444 IonicContact OD2-NH2 3.65Å; D183-R444 PolarHBondContact OD2-NH2 2.9Å
184	R	98.7	Very high	98.8	Very high	100 Å²	100	17.2 Å²	17.2	38%	0.377	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-68.9	-4.9	-179.2	-61.6	-162.2	178.2	-143.7	-2.3	114.8	S182 I186 H194	S182-R184 PolarHBondContact O-N 3.2Å; S182-R184 VanDerWaalsContact O-N 3.1Å; S182-R184 PolarHBondContact OG-N 3.49Å; R184-I186 PolarHBondContact O-N 2.79Å; R184-H194 PolarHBondContact NH1-CD2 3.32Å
185	G	98.7	Very high	98.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-67	-22.9	174.1	0	0	0	0	0	114.1	R108 D109 R111 L180 S182 D183	R108-G185 WeakPolarHBondContact CA-O 3.23Å; D109-G185 PolarHBondContact N-O 2.91Å; D109-G185 VanDerWaalsContact O-O 3.14Å; R111-G185 PolarHBondContact NH1-O 3.38Å; L180-G185 VanDerWaalsContact O-CA 3.26Å; L180-G185 WeakPolarHBondContact O-CA 3.41Å; S182-G185 PolarHBondContact O-N 3.32Å; D183-G185 PolarHBondContact O-N 3.03Å
186	I	98.8	Very high	98.8	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	8%	0.078	C	C	.	.	S	Bend	trans	-135.3	88.2	176.4	-47.5	173.9	0	0	0	108.8	R108 D183 R184 N225 L226 D228 A231	R108-I186 HydrophobicContact CB-CD1 4.09Å; R108-I186 HydrophobicContact CB-CG1 3.87Å; R108-I186 HydrophobicContact CG-CG1 4.41Å; D183-I186 PolarHBondContact O-N 2.93Å; R184-I186 PolarHBondContact O-N 2.79Å; I186-N225 CarbonylContact O-C 3.39Å; I186-N225 VanDerWaalsContact O-CA 3.22Å; I186-N225 WeakPolarHBondContact O-CA 3.35Å; I186-N225 WeakPolarHBondContact O-CB 3.42Å; I186-L226 HydrophobicContact CB-CB 4.27Å; I186-L226 HydrophobicContact CG2-CB 3.83Å; I186-L226 HydrophobicContact CG2-CD1 3.87Å; I186-L226 HydrophobicContact CG2-CG 4.21Å; I186-L226 PolarHBondContact O-N 3.34Å; I186-D228 WeakPolarHBondContact CD1-OD1 3.32Å; I186-A231 HydrophobicContact CD1-CB 3.8Å; I186-A231 HydrophobicContact CG2-CB 4.24Å
187	P	98.9	Very high	98.8	Very high	4 Å²	4	17.2 Å²	17.2	3%	0.026	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-57.7	145.3	169	-22.9	35	0	0	0	110.8	R111 D189 M193	R111-P187 HydrophobicContact CG-CG 3.94Å; P187-D189 WeakPolarHBondContact CB-O 3.32Å; P187-D189 PolarHBondContact O-N 3.49Å; P187-M193 HydrophobicContact CB-CB 4.02Å; P187-M193 HydrophobicContact CB-SD 4.49Å; P187-M193 HydrophobicContact CG-CB 4.05Å; P187-M193 HydrophobicContact CG-SD 4.18Å
188	K	98.6	Very high	98.8	Very high	82 Å²	82	17.4 Å²	17.4	36%	0.357	8%	0.079	S	C	.	.	S	Bend	trans	-51.7	-44.5	175.8	177.5	-179.1	174.4	-175.1	0	112.3	H192 E224 L226	K188-H192 HydrophobicContact CB-CB 4.47Å; K188-E224 HydrophobicContact CB-CB 3.8Å; K188-E224 HydrophobicContact CD-CB 3.69Å; K188-E224 HydrophobicContact CD-CG 4.34Å; K188-E224 WeakPolarHBondContact CD-OE2 3.07Å; K188-E224 WeakPolarHBondContact CE-OE2 3.19Å; K188-E224 HydrophobicContact CG-CB 4.44Å; K188-E224 PolarHBondContact N-O 3.34Å; K188-E224 VanDerWaalsContact NZ-CD 3.32Å; K188-E224 IonicContact NZ-OE1 3.44Å; K188-E224 PolarHBondContact NZ-OE1 2.87Å; K188-E224 IonicContact NZ-OE2 2.7Å; K188-E224 PolarHBondContact NZ-OE2 2.81Å; K188-L226 HydrophobicContact CG-CD2 4.45Å
189	D	98.6	Very high	98.8	Very high	6 Å²	6	17.6 Å²	17.6	3%	0.032	8%	0.08	C	C	.	.	S	Bend	trans	-160.1	-171.4	175.7	56.6	54	0	0	0	108.7	P187 R191 H192 D245	P187-D189 WeakPolarHBondContact CB-O 3.32Å; P187-D189 PolarHBondContact O-N 3.49Å; D189-R191 VanDerWaalsContact C-N 3.32Å; D189-R191 PolarHBondContact O-N 2.77Å; D189-R191 WeakPolarHBondContact OD1-CA 3.29Å; D189-R191 WeakPolarHBondContact OD1-CB 3.41Å; D189-R191 PolarHBondContact OD1-N 3.28Å; D189-H192 IonicContact OD1-CE1 2.8Å; D189-H192 IonicContact OD1-CG 2.73Å; D189-H192 PolarHBondContact OD1-N 3.19Å; D189-H192 IonicContact OD1-ND1 3.38Å; D189-H192 PolarHBondContact OD1-ND1 2.78Å; D189-H192 IonicContact OD2-CE1 2.78Å; D189-H192 PolarHBondContact OD2-CE1 2.84Å; D189-H192 IonicContact OD2-CG 3.38Å; D189-H192 IonicContact OD2-ND1 3.79Å; D189-H192 PolarHBondContact OD2-ND1 3.25Å; D189-D245 HydrophobicContact CB-CB 3.87Å; D189-D245 VanDerWaalsContact CB-CG 3.49Å; D189-D245 VanDerWaalsContact CB-OD2 3.31Å; D189-D245 WeakPolarHBondContact CB-OD2 3.48Å
190	L	98.8	Very high	98.8	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.026	8%	0.075	C	C	.	.	S	Bend	trans	-76.3	-19.6	-176.2	-53.7	172.9	0	0	0	113.2	F94 M193 L246 W258	F94-L190 HydrophobicContact CB-CB 4.34Å; F94-L190 HydrophobicContact CB-CD1 3.82Å; F94-L190 HydrophobicContact CB-CD2 3.72Å; F94-L190 HydrophobicContact CB-CG 4.14Å; F94-L190 HydrophobicContact CD2-CB 4.01Å; F94-L190 HydrophobicContact CD2-CD1 3.98Å; F94-L190 HydrophobicContact CD2-CG 4.48Å; F94-L190 HydrophobicContact CG-CB 4.18Å; F94-L190 HydrophobicContact CG-CD1 4.26Å; F94-L190 HydrophobicContact CG-CD2 4.43Å; F94-L190 HydrophobicContact CG-CG 4.49Å; L190-M193 HydrophobicContact CB-CE 4.18Å; L190-M193 HydrophobicContact CD2-CE 3.95Å; L190-M193 WeakPolarHBondContact O-CG 3.39Å; L190-L246 HydrophobicContact CD1-CB 4.25Å; L190-L246 HydrophobicContact CD1-CD2 4.02Å; L190-W258 WeakPolarHBondContact O-CZ2 3.5Å
191	R	98.9	Very high	98.8	Very high	25 Å²	25	16.5 Å²	16.5	9%	0.094	7%	0.074	C	C	.	.	S	Bend	trans	-84.3	-31.1	-176.8	-53.2	-177.2	-64.7	133.1	-1.9	111	D189 M193 T219 Q221 D245 L246 D254 P256	D189-R191 VanDerWaalsContact C-N 3.32Å; D189-R191 PolarHBondContact O-N 2.77Å; D189-R191 WeakPolarHBondContact OD1-CA 3.29Å; D189-R191 WeakPolarHBondContact OD1-CB 3.41Å; D189-R191 PolarHBondContact OD1-N 3.28Å; R191-M193 VanDerWaalsContact C-N 3.31Å; R191-M193 PolarHBondContact O-N 2.93Å; R191-T219 VanDerWaalsContact O-CB 3.3Å; R191-T219 WeakPolarHBondContact O-CB 3.44Å; R191-T219 PolarHBondContact O-OG1 3.47Å; R191-Q221 HydrophobicContact CB-CG 4.2Å; R191-Q221 PolarHBondContact O-OE1 2.76Å; R191-D245 WeakPolarHBondContact CD-OD2 3.48Å; R191-D245 IonicContact CZ-OD1 3.85Å; R191-D245 IonicContact CZ-OD2 2.64Å; R191-D245 IonicContact NE-OD1 3.69Å; R191-D245 PolarHBondContact NE-OD1 3.26Å; R191-D245 IonicContact NE-OD2 3.97Å; R191-D245 PolarHBondContact NE-OD2 2.67Å; R191-D245 IonicContact NH2-OD1 2.8Å; R191-D245 PolarHBondContact NH2-OD1 3.5Å; R191-D245 IonicContact NH2-OD2 2.82Å; R191-L246 HydrophobicContact CG-CD1 4.31Å; R191-D254 IonicContact CZ-OD2 2.74Å; R191-D254 IonicContact NH1-OD2 3.87Å; R191-D254 PolarHBondContact NH1-OD2 2.93Å; R191-P256 HydrophobicContact CB-CB 3.93Å; R191-P256 HydrophobicContact CG-CB 3.64Å; R191-P256 HydrophobicContact CG-CG 3.91Å
192	H	98.9	Very high	98.8	Very high	14 Å²	14	16.3 Å²	16.3	7%	0.065	7%	0.073	C	C	.	.	S	Bend	trans	-91.9	31.7	-177.7	-60.1	88.1	0	0	0	114.4	K188 D189 G222 I223 E224	K188-H192 HydrophobicContact CB-CB 4.47Å; D189-H192 IonicContact OD1-CE1 2.8Å; D189-H192 IonicContact OD1-CG 2.73Å; D189-H192 PolarHBondContact OD1-N 3.19Å; D189-H192 IonicContact OD1-ND1 3.38Å; D189-H192 PolarHBondContact OD1-ND1 2.78Å; D189-H192 IonicContact OD2-CE1 2.78Å; D189-H192 PolarHBondContact OD2-CE1 2.84Å; D189-H192 IonicContact OD2-CG 3.38Å; D189-H192 IonicContact OD2-ND1 3.79Å; D189-H192 PolarHBondContact OD2-ND1 3.25Å; H192-G222 VanDerWaalsContact CA-O 3.25Å; H192-G222 WeakPolarHBondContact CA-O 3.46Å; H192-G222 WeakPolarHBondContact CB-O 3.43Å; H192-G222 PolarHBondContact CD2-O 2.72Å; H192-I223 WeakPolarHBondContact O-CD1 3.49Å; H192-E224 HydrophobicContact CB-CB 3.91Å; H192-E224 IonicContact CD2-OE1 3.37Å; H192-E224 PolarHBondContact CD2-OE1 2.88Å; H192-E224 IonicContact NE2-OE1 3.95Å; H192-E224 PolarHBondContact NE2-OE1 3.07Å; H192-E224 PolarHBondContact O-N 3.34Å
193	M	98.9	Very high	98.7	Very high	5 Å²	5	15.8 Å²	15.8	3%	0.025	7%	0.07	C	C	.	.	S	Bend	trans	-129	150.9	174.7	67.4	-177.6	-179.9	0	0	112.3	F94 R111 F113 N130 P187 L190 R191 T219 W258	F94-M193 HydrophobicContact CB-CE 4.04Å; F94-M193 HydrophobicContact CD1-CE 3.47Å; F94-M193 VanDerWaalsContact CD1-CE 3.47Å; F94-M193 HydrophobicContact CE1-CE 4.17Å; F94-M193 HydrophobicContact CG-CE 3.93Å; R111-M193 HydrophobicContact CB-CE 3.95Å; R111-M193 HydrophobicContact CB-SD 3.47Å; R111-M193 WeakPolarHBondContact CB-SD 3.31Å; R111-M193 HydrophobicContact CG-SD 3.75Å; F113-M193 HydrophobicContact CD2-CE 4.13Å; N130-M193 HydrophobicContact CB-CB 4.33Å; N130-M193 HydrophobicContact CB-CG 4.35Å; N130-M193 HydrophobicContact CB-SD 3.82Å; P187-M193 HydrophobicContact CB-CB 4.02Å; P187-M193 HydrophobicContact CB-SD 4.49Å; P187-M193 HydrophobicContact CG-CB 4.05Å; P187-M193 HydrophobicContact CG-SD 4.18Å; L190-M193 HydrophobicContact CB-CE 4.18Å; L190-M193 HydrophobicContact CD2-CE 3.95Å; L190-M193 WeakPolarHBondContact O-CG 3.39Å; R191-M193 VanDerWaalsContact C-N 3.31Å; R191-M193 PolarHBondContact O-N 2.93Å; M193-T219 WeakPolarHBondContact O-CB 3.46Å; M193-W258 PolarHBondContact O-NE1 2.86Å
194	H	98.9	Very high	98.7	Very high	15 Å²	15	14.7 Å²	14.7	7%	0.069	6%	0.063	C	C	.	.			trans	-75.5	164.2	166.1	-63.1	-18.5	0	0	0	110.5	N130 R184 F196 F217 T219	N130-H194 WeakPolarHBondContact CA-O 2.99Å; N130-H194 VanDerWaalsContact CB-O 3.32Å; N130-H194 WeakPolarHBondContact CB-O 3.36Å; R184-H194 PolarHBondContact NH1-CD2 3.32Å; H194-F196 HydrophobicContact CB-CE2 3.59Å; H194-F196 HydrophobicContact CB-CZ 3.7Å; H194-F217 CarbonylContact C-O 3.5Å; H194-F217 WeakPolarHBondContact CA-O 3.5Å; H194-F217 WeakPolarHBondContact CB-O 3.42Å; H194-T219 WeakPolarHBondContact ND1-CG2 3.29Å; H194-T219 PolarHBondContact ND1-N 3.43Å
195	G	98.9	Very high	98.7	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.3	166	0	0	0	0	0	110.7	N129 F217	N129-G195 CarbonylContact O-C 3.5Å; N129-G195 WeakPolarHBondContact O-CA 3.34Å; G195-F217 PolarHBondContact N-O 3.13Å; G195-F217 PolarHBondContact O-N 2.92Å
196	F	98.9	Very high	98.5	Very high	22 Å²	22	17.3 Å²	17.3	10%	0.096	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	145.4	179.1	-54.3	-92.9	0	0	0	109.9	G128 N129 N130 P132 H194 S198 F215 H216	G128-F196 CarbonylContact C-O 3.27Å; G128-F196 WeakPolarHBondContact CA-O 3.3Å; N129-F196 PolarHBondContact N-O 3.43Å; N129-F196 PolarHBondContact O-N 2.96Å; N130-F196 WeakPolarHBondContact O-CE2 3.24Å; P132-F196 HydrophobicContact CB-CB 4.47Å; P132-F196 HydrophobicContact CB-CD1 3.76Å; P132-F196 HydrophobicContact CB-CD2 4.5Å; P132-F196 HydrophobicContact CB-CE1 4.06Å; P132-F196 HydrophobicContact CB-CG 3.99Å; P132-F196 HydrophobicContact CG-CE1 4.47Å; H194-F196 HydrophobicContact CB-CE2 3.59Å; H194-F196 HydrophobicContact CB-CZ 3.7Å; F196-S198 PolarHBondContact O-N 3.33Å; F196-F215 CarbonylContact C-O 3.5Å; F196-F215 VanDerWaalsContact CA-O 3.32Å; F196-F215 WeakPolarHBondContact CA-O 3.4Å; F196-H216 HydrophobicContact CD1-CB 4.3Å; F196-H216 AromaticContact CD1-ND1 3.49Å; F196-H216 WeakPolarHBondContact CD1-ND1 3.31Å; F196-H216 HydrophobicContact CE1-CB 4.48Å; F196-H216 AromaticContact CE1-ND1 3.53Å
197	G	98.8	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.			trans	-66.1	-20.6	164.7	0	0	0	0	0	112.6	H199 F215	G197-H199 PolarHBondContact O-CD2 3.03Å; G197-H199 PolarHBondContact O-N 3.45Å; G197-F215 PolarHBondContact N-O 3.27Å
198	S	98.8	Very high	98.2	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.042	13%	0.131	C	C	.	.			trans	62.3	-59.8	-174.4	-42.8	0	0	0	0	113.3	T131 P132 F196 K214	T131-S198 PolarHBondContact O-OG 3.28Å; P132-S198 VanDerWaalsContact O-CA 3.28Å; P132-S198 WeakPolarHBondContact O-CA 3.48Å; P132-S198 WeakPolarHBondContact O-CB 3.35Å; F196-S198 PolarHBondContact O-N 3.33Å; S198-K214 WeakPolarHBondContact O-CD 3.24Å; S198-K214 PolarHBondContact O-NZ 2.92Å
199	H	98.9	Very high	98.1	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.028	14%	0.142	C	C	.	.	S	Bend	trans	-61.4	152.1	176.8	-56.9	-76.4	0	0	0	112.3	G197 Y201 L280 D329 L332 R335	G197-H199 PolarHBondContact O-CD2 3.03Å; G197-H199 PolarHBondContact O-N 3.45Å; H199-Y201 HydrophobicContact CB-CD2 4.18Å; H199-Y201 HydrophobicContact CB-CE2 3.71Å; H199-Y201 WeakPolarHBondContact O-CD2 3.37Å; H199-L280 WeakPolarHBondContact CE1-CD2 3.44Å; H199-D329 WeakPolarHBondContact CB-OD2 3.24Å; H199-D329 IonicContact CE1-OD2 3.2Å; H199-D329 IonicContact CG-OD2 2.73Å; H199-D329 IonicContact ND1-OD1 3.88Å; H199-D329 IonicContact ND1-OD2 2.85Å; H199-D329 PolarHBondContact ND1-OD2 3.42Å; H199-L332 HydrophobicContact CB-CB 4.23Å; H199-L332 HydrophobicContact CB-CD2 4.32Å; H199-L332 PolarHBondContact CE1-N 3.43Å; H199-R335 PolarHBondContact CD2-NH1 3Å; H199-R335 VanDerWaalsContact NE2-CD 3.32Å; H199-R335 WeakPolarHBondContact NE2-CD 3.35Å; H199-R335 PolarHBondContact NE2-NH1 3.12Å
200	T	98.8	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.			trans	-72	131.2	157.7	-59.4	0	0	0	0	108.3	W212 K214 P277 F278 W284 S327 L332	T200-W212 HydrophobicContact CG2-CB 3.79Å; T200-W212 HydrophobicContact CG2-CE3 4.43Å; T200-W212 HydrophobicContact CG2-CG 4.38Å; T200-K214 VanDerWaalsContact OG1-CE 3.25Å; T200-K214 WeakPolarHBondContact OG1-CE 3.19Å; T200-K214 PolarHBondContact OG1-NZ 2.9Å; T200-P277 PolarHBondContact OG1-O 3.33Å; T200-F278 HydrophobicContact CG2-CD1 3.74Å; T200-F278 HydrophobicContact CG2-CE1 3.82Å; T200-W284 HydrophobicContact CG2-CH2 3.85Å; T200-W284 HydrophobicContact CG2-CZ2 3.51Å; T200-W284 WeakPolarHBondContact OG1-CZ2 3.44Å; T200-S327 WeakPolarHBondContact O-CB 3.49Å; T200-S327 PolarHBondContact O-OG 2.74Å; T200-L332 WeakPolarHBondContact O-CD2 3.26Å
201	Y	98.7	Very high	98	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.016	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	-175.5	168.5	-70	-94.7	0	0	0	108.8	L126 H199 W212 V213 F215 L332	L126-Y201 HydrophobicContact CD1-CE2 3.87Å; H199-Y201 HydrophobicContact CB-CD2 4.18Å; H199-Y201 HydrophobicContact CB-CE2 3.71Å; H199-Y201 WeakPolarHBondContact O-CD2 3.37Å; Y201-W212 CarbonylContact O-C 3.48Å; Y201-W212 WeakPolarHBondContact O-CA 3.3Å; Y201-V213 PolarHBondContact N-O 2.98Å; Y201-V213 PolarHBondContact O-N 2.98Å; Y201-F215 AromaticContact CD2-CD2 3.79Å; Y201-F215 HydrophobicContact CD2-CD2 3.79Å; Y201-F215 AromaticContact CD2-CE2 3.78Å; Y201-F215 HydrophobicContact CD2-CE2 3.78Å; Y201-F215 HydrophobicContact CE2-CD2 4.28Å; Y201-F215 HydrophobicContact CG-CD2 4.39Å; Y201-F215 AromaticContact CG-CE2 3.9Å; Y201-F215 HydrophobicContact CG-CE2 3.9Å; Y201-L332 HydrophobicContact CD1-CD2 3.91Å; Y201-L332 HydrophobicContact CE1-CD1 3.7Å; Y201-L332 HydrophobicContact CE1-CD2 3.87Å; Y201-L332 HydrophobicContact CE1-CG 4.46Å; Y201-L332 HydrophobicContact CG-CD2 4.44Å
202	S	98.4	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	159.6	164.8	57.5	0	0	0	0	112.8	V211 D325 F326	S202-V211 CarbonylContact C-O 3.56Å; S202-V211 WeakPolarHBondContact CA-O 3.38Å; S202-V211 VanDerWaalsContact CB-O 3.3Å; S202-V211 WeakPolarHBondContact CB-O 3.27Å; S202-D325 PolarHBondContact N-O 3.26Å; S202-D325 PolarHBondContact O-N 3.46Å; S202-D325 WeakPolarHBondContact OG-CB 3.46Å; S202-D325 PolarHBondContact OG-O 3.17Å; S202-F326 WeakPolarHBondContact CB-O 3.3Å; S202-F326 PolarHBondContact OG-O 3.15Å
203	M	98.3	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	156.5	168.4	-63.6	-177.6	167.7	0	0	109.1	Y75 T76 F81 R210 V211 V213 F215 I262 G323 L324	Y75-M203 WeakPolarHBondContact O-CB 3.2Å; T76-M203 HydrophobicContact CG2-SD 4.08Å; F81-M203 HydrophobicContact CE2-CE 4.41Å; M203-R210 WeakPolarHBondContact O-CA 3.23Å; M203-V211 HydrophobicContact CB-CG2 4.01Å; M203-V211 PolarHBondContact N-O 2.81Å; M203-V211 PolarHBondContact O-N 3.16Å; M203-V213 HydrophobicContact CE-CB 4.42Å; M203-V213 HydrophobicContact CE-CG1 4.12Å; M203-V213 HydrophobicContact CE-CG2 3.89Å; M203-V213 HydrophobicContact CG-CB 4.24Å; M203-V213 HydrophobicContact CG-CG1 3.85Å; M203-V213 HydrophobicContact SD-CB 4.37Å; M203-V213 HydrophobicContact SD-CG1 4.39Å; M203-V213 HydrophobicContact SD-CG2 4.15Å; M203-F215 HydrophobicContact CE-CE1 3.37Å; M203-F215 HydrophobicContact CE-CZ 3.55Å; M203-I262 HydrophobicContact CE-CG2 4.36Å; M203-G323 VanDerWaalsContact CA-O 3.27Å; M203-G323 WeakPolarHBondContact CA-O 3.33Å; M203-L324 HydrophobicContact CE-CD2 3.74Å; M203-L324 HydrophobicContact CG-CD2 3.71Å; M203-L324 HydrophobicContact SD-CD2 4.32Å
204	Y	98	Very high	98	Very high	11 Å²	11	25.7 Å²	25.7	4%	0.043	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	140.1	170.8	59.1	-89.1	0	0	0	112	Y75 T76 N77 E209 P322 G323 D325 K405 P406	Y75-Y204 CarbonylContact O-C 3.46Å; Y75-Y204 PolarHBondContact O-N 3.14Å; T76-Y204 CarbonylContact C-O 3.55Å; T76-Y204 VanDerWaalsContact CA-O 3.27Å; T76-Y204 WeakPolarHBondContact CA-O 3.33Å; N77-Y204 PolarHBondContact N-O 3.31Å; N77-Y204 PolarHBondContact OD1-O 3.41Å; Y204-E209 VanDerWaalsContact CA-O 3.24Å; Y204-E209 WeakPolarHBondContact CA-O 3.2Å; Y204-P322 WeakPolarHBondContact OH-CA 3.39Å; Y204-G323 PolarHBondContact N-O 2.58Å; Y204-G323 PolarHBondContact OH-N 2.73Å; Y204-D325 HydrophobicContact CD1-CB 4.37Å; Y204-D325 HydrophobicContact CE1-CB 4.21Å; Y204-K405 HydrophobicContact CE1-CG 4.24Å; Y204-P406 HydrophobicContact CD1-CG 4.3Å; Y204-P406 HydrophobicContact CD2-CG 4.13Å; Y204-P406 HydrophobicContact CG-CG 3.81Å
205	N	97.4	Very high	98	Very high	16 Å²	16	25.2 Å²	25.2	9%	0.086	14%	0.141	C	C	.	.			trans	-90.8	-177.8	-179.5	69.1	18.3	0	0	0	112.2	K74 Y75 S207 G208 E209	K74-N205 WeakPolarHBondContact O-CB 2.98Å; K74-N205 PolarHBondContact O-ND2 3.26Å; Y75-N205 PolarHBondContact O-N 3.15Å; N205-S207 PolarHBondContact O-N 3.39Å; N205-S207 VanDerWaalsContact O-N 3.17Å; N205-S207 WeakPolarHBondContact OD1-CA 3.42Å; N205-S207 WeakPolarHBondContact OD1-CB 3.44Å; N205-S207 PolarHBondContact OD1-N 2.82Å; N205-G208 PolarHBondContact O-N 2.98Å; N205-G208 PolarHBondContact OD1-N 3.5Å; N205-E209 PolarHBondContact N-O 2.96Å; N205-E209 PolarHBondContact ND2-OE2 3.22Å; N205-E209 PolarHBondContact OD1-N 3.07Å; N205-E209 VanDerWaalsContact OD1-N 3.11Å
206	D	96	Very high	98	Very high	141 Å²	141	25.7 Å²	25.7	75%	0.754	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.4	179.4	-72.6	-29.4	0	0	0	114.2	N77 G208	N77-D206 WeakPolarHBondContact CB-OD1 3.49Å; N77-D206 PolarHBondContact ND2-OD1 3.28Å; D206-G208 VanDerWaalsContact C-N 3.3Å
207	S	95.5	Very high	98	Very high	101 Å²	101	24.7 Å²	24.7	71%	0.706	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-2.3	174.3	-58.8	0	0	0	0	112.5	N205 E209	N205-S207 PolarHBondContact O-N 3.39Å; N205-S207 VanDerWaalsContact O-N 3.17Å; N205-S207 WeakPolarHBondContact OD1-CA 3.42Å; N205-S207 WeakPolarHBondContact OD1-CB 3.44Å; N205-S207 PolarHBondContact OD1-N 2.82Å; S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.31Å
208	G	94.9	Very high	98	Very high	31 Å²	31	29.6 Å²	29.6	32%	0.32	16%	0.158	S	C	.	.			trans	75.1	12.2	-176	0	0	0	0	0	114.1	N205 D206 P406	N205-G208 PolarHBondContact O-N 2.98Å; N205-G208 PolarHBondContact OD1-N 3.5Å; D206-G208 VanDerWaalsContact C-N 3.3Å; G208-P406 WeakPolarHBondContact O-CB 3.37Å
209	E	96.7	Very high	98	Very high	126 Å²	126	30 Å²	30	59%	0.589	16%	0.16	S	C	*	.			trans	-73.2	127.6	176.6	-60.1	177.6	146.9	0	0	109.6	Y204 N205 S207	Y204-E209 VanDerWaalsContact CA-O 3.24Å; Y204-E209 WeakPolarHBondContact CA-O 3.2Å; N205-E209 PolarHBondContact N-O 2.96Å; N205-E209 PolarHBondContact ND2-OE2 3.22Å; N205-E209 PolarHBondContact OD1-N 3.07Å; N205-E209 VanDerWaalsContact OD1-N 3.11Å; S207-E209 VanDerWaalsContact C-N 3.27Å; S207-E209 PolarHBondContact O-N 3.31Å
210	R	97.8	Very high	98	Very high	18 Å²	18	33.6 Å²	33.6	7%	0.068	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	140.4	179.7	-179.1	176.1	-64.3	95.5	2.3	111.7	M203 E267 P406 P407 F408	M203-R210 WeakPolarHBondContact O-CA 3.23Å; R210-E267 HydrophobicContact CB-CG 4.33Å; R210-E267 WeakPolarHBondContact CD-OE1 3.43Å; R210-E267 HydrophobicContact CG-CG 4.39Å; R210-E267 IonicContact CZ-OE1 3.81Å; R210-E267 IonicContact NH1-OE1 3.42Å; R210-E267 PolarHBondContact NH1-OE1 2.91Å; R210-P406 PolarHBondContact NH2-O 3.2Å; R210-P407 PolarHBondContact NH1-O 2.69Å; R210-P407 PolarHBondContact NH2-O 2.85Å; R210-F408 VanDerWaalsContact CZ-CB 3.5Å; R210-F408 VanDerWaalsContact NH1-CB 3.31Å
211	V	98.3	Very high	98	Very high	16 Å²	16	35.9 Å²	35.9	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	152.5	162.7	-62.6	0	0	0	0	110.6	Y75 S202 M203 V264	Y75-V211 HydrophobicContact CD1-CG1 4.3Å; Y75-V211 HydrophobicContact CD1-CG2 4.27Å; Y75-V211 HydrophobicContact CG-CG2 4.49Å; S202-V211 CarbonylContact C-O 3.56Å; S202-V211 WeakPolarHBondContact CA-O 3.38Å; S202-V211 VanDerWaalsContact CB-O 3.3Å; S202-V211 WeakPolarHBondContact CB-O 3.27Å; M203-V211 HydrophobicContact CB-CG2 4.01Å; M203-V211 PolarHBondContact N-O 2.81Å; M203-V211 PolarHBondContact O-N 3.16Å; V211-V264 HydrophobicContact CB-CG1 3.73Å; V211-V264 HydrophobicContact CG1-CG1 3.94Å; V211-V264 HydrophobicContact CG2-CG1 3.83Å
212	W	98.6	Very high	98	Very high	19 Å²	19	37.2 Å²	37.2	7%	0.072	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	143.6	168.3	-51.6	114.4	0	0	0	110	T200 Y201 V264 M265 E267 A270 F278 W284	T200-W212 HydrophobicContact CG2-CB 3.79Å; T200-W212 HydrophobicContact CG2-CE3 4.43Å; T200-W212 HydrophobicContact CG2-CG 4.38Å; Y201-W212 CarbonylContact O-C 3.48Å; Y201-W212 WeakPolarHBondContact O-CA 3.3Å; W212-V264 WeakPolarHBondContact O-CA 3.39Å; W212-M265 HydrophobicContact CB-CB 4.29Å; W212-M265 PolarHBondContact N-O 3.22Å; W212-M265 PolarHBondContact O-N 3.35Å; W212-E267 HydrophobicContact CZ2-CG 4.17Å; W212-A270 HydrophobicContact CG-CB 4.46Å; W212-A270 VanDerWaalsContact NE1-CB 3.3Å; W212-F278 AromaticContact CD2-CE1 3.7Å; W212-F278 HydrophobicContact CD2-CE1 3.7Å; W212-F278 AromaticContact CD2-CZ 3.99Å; W212-F278 HydrophobicContact CD2-CZ 3.99Å; W212-F278 AromaticContact CE2-CE1 3.92Å; W212-F278 AromaticContact CE2-CZ 3.7Å; W212-F278 AromaticContact CE3-CE1 3.85Å; W212-F278 HydrophobicContact CE3-CE1 3.85Å; W212-F278 HydrophobicContact CE3-CZ 4.44Å; W212-F278 HydrophobicContact CG-CE1 4.14Å; W212-F278 HydrophobicContact CG-CZ 4.44Å; W212-F278 HydrophobicContact CH2-CE1 4.47Å; W212-F278 HydrophobicContact CH2-CZ 4.44Å; W212-F278 HydrophobicContact CZ2-CE1 4.31Å; W212-F278 AromaticContact CZ2-CZ 3.96Å; W212-F278 HydrophobicContact CZ2-CZ 3.96Å; W212-F278 HydrophobicContact CZ3-CE1 4.25Å; W212-F278 AromaticContact NE1-CZ 3.93Å; W212-W284 HydrophobicContact CB-CH2 3.67Å; W212-W284 HydrophobicContact CB-CZ2 4.22Å
213	V	98.8	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.1	-173.9	72.1	0	0	0	0	112.7	Y201 M203 F215 I262 Q263	Y201-V213 PolarHBondContact N-O 2.98Å; Y201-V213 PolarHBondContact O-N 2.98Å; M203-V213 HydrophobicContact CE-CB 4.42Å; M203-V213 HydrophobicContact CE-CG1 4.12Å; M203-V213 HydrophobicContact CE-CG2 3.89Å; M203-V213 HydrophobicContact CG-CB 4.24Å; M203-V213 HydrophobicContact CG-CG1 3.85Å; M203-V213 HydrophobicContact SD-CB 4.37Å; M203-V213 HydrophobicContact SD-CG1 4.39Å; M203-V213 HydrophobicContact SD-CG2 4.15Å; V213-F215 HydrophobicContact CG1-CE1 4.45Å; V213-F215 HydrophobicContact CG1-CE2 3.79Å; V213-F215 HydrophobicContact CG1-CZ 3.76Å; V213-F215 HydrophobicContact CG2-CE1 4.37Å; V213-F215 HydrophobicContact CG2-CZ 4.47Å; V213-I262 HydrophobicContact CG2-CB 3.65Å; V213-I262 HydrophobicContact CG2-CD1 4.38Å; V213-I262 HydrophobicContact CG2-CG2 3.68Å; V213-Q263 VanDerWaalsContact CA-O 3.3Å; V213-Q263 WeakPolarHBondContact CA-O 3.2Å; V213-Q263 WeakPolarHBondContact CG2-O 3.2Å
214	K	98.9	Very high	98	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.035	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.4	164.3	-66	-87.7	-165.5	-175.2	0	108.6	S198 T200 I262 Q263 W284	S198-K214 WeakPolarHBondContact O-CD 3.24Å; S198-K214 PolarHBondContact O-NZ 2.92Å; T200-K214 VanDerWaalsContact OG1-CE 3.25Å; T200-K214 WeakPolarHBondContact OG1-CE 3.19Å; T200-K214 PolarHBondContact OG1-NZ 2.9Å; K214-I262 CarbonylContact O-C 3.52Å; K214-I262 WeakPolarHBondContact O-CA 3.4Å; K214-Q263 HydrophobicContact CB-CB 4.26Å; K214-Q263 PolarHBondContact N-O 3.38Å; K214-Q263 VanDerWaalsContact N-O 3.13Å; K214-Q263 PolarHBondContact O-N 2.84Å; K214-W284 HydrophobicContact CB-CE3 4.38Å; K214-W284 HydrophobicContact CB-CZ3 4.41Å; K214-W284 HydrophobicContact CG-CD2 3.68Å; K214-W284 HydrophobicContact CG-CE3 3.62Å; K214-W284 HydrophobicContact CG-CG 4.35Å; K214-W284 HydrophobicContact CG-CH2 4Å; K214-W284 HydrophobicContact CG-CZ2 4.08Å; K214-W284 HydrophobicContact CG-CZ3 3.78Å
215	F	98.9	Very high	98.1	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.018	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133	179.2	-62.5	-76.7	0	0	0	111.6	W124 L126 F196 G197 Y201 M203 V213 F217 M260 I262	W124-F215 HydrophobicContact CH2-CE1 4.04Å; W124-F215 HydrophobicContact CH2-CZ 4.25Å; W124-F215 HydrophobicContact CZ2-CE1 4.12Å; W124-F215 HydrophobicContact CZ2-CE2 4.25Å; W124-F215 AromaticContact CZ2-CZ 3.88Å; W124-F215 HydrophobicContact CZ2-CZ 3.88Å; L126-F215 HydrophobicContact CD1-CD2 3.76Å; L126-F215 HydrophobicContact CD1-CE2 4.18Å; L126-F215 HydrophobicContact CD1-CG 4.41Å; L126-F215 HydrophobicContact CD2-CB 3.81Å; L126-F215 HydrophobicContact CD2-CD1 4.41Å; L126-F215 HydrophobicContact CD2-CD2 4.03Å; L126-F215 HydrophobicContact CD2-CG 3.84Å; F196-F215 CarbonylContact C-O 3.5Å; F196-F215 VanDerWaalsContact CA-O 3.32Å; F196-F215 WeakPolarHBondContact CA-O 3.4Å; G197-F215 PolarHBondContact N-O 3.27Å; Y201-F215 AromaticContact CD2-CD2 3.79Å; Y201-F215 HydrophobicContact CD2-CD2 3.79Å; Y201-F215 AromaticContact CD2-CE2 3.78Å; Y201-F215 HydrophobicContact CD2-CE2 3.78Å; Y201-F215 HydrophobicContact CE2-CD2 4.28Å; Y201-F215 HydrophobicContact CG-CD2 4.39Å; Y201-F215 AromaticContact CG-CE2 3.9Å; Y201-F215 HydrophobicContact CG-CE2 3.9Å; M203-F215 HydrophobicContact CE-CE1 3.37Å; M203-F215 HydrophobicContact CE-CZ 3.55Å; V213-F215 HydrophobicContact CG1-CE1 4.45Å; V213-F215 HydrophobicContact CG1-CE2 3.79Å; V213-F215 HydrophobicContact CG1-CZ 3.76Å; V213-F215 HydrophobicContact CG2-CE1 4.37Å; V213-F215 HydrophobicContact CG2-CZ 4.47Å; F215-F217 HydrophobicContact CB-CE2 4.17Å; F215-M260 HydrophobicContact CD1-CE 3.35Å; F215-M260 HydrophobicContact CE1-CE 3.57Å; F215-I262 HydrophobicContact CD1-CG2 3.65Å; F215-I262 HydrophobicContact CE1-CG2 3.93Å
216	H	98.9	Very high	98.1	Very high	10 Å²	10	45.4 Å²	45.4	5%	0.046	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.4	-179.3	-54.9	-113.5	0	0	0	110.1	F196 M260 Y261 Q263 L291	F196-H216 HydrophobicContact CD1-CB 4.3Å; F196-H216 AromaticContact CD1-ND1 3.49Å; F196-H216 WeakPolarHBondContact CD1-ND1 3.31Å; F196-H216 HydrophobicContact CE1-CB 4.48Å; F196-H216 AromaticContact CE1-ND1 3.53Å; H216-M260 CarbonylContact O-C 3.57Å; H216-M260 WeakPolarHBondContact O-CA 3.08Å; H216-Y261 PolarHBondContact N-O 2.89Å; H216-Y261 PolarHBondContact O-N 3.22Å; H216-Q263 PolarHBondContact CE1-OE1 3.35Å; H216-Q263 VanDerWaalsContact CE1-OE1 3.28Å; H216-Q263 PolarHBondContact NE2-OE1 3.49Å; H216-L291 HydrophobicContact CB-CD2 4.31Å
217	F	98.9	Very high	98.2	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	104.4	177.7	-60.1	-83.9	0	0	0	108.4	F113 L115 L126 H194 G195 F215 W258 T259 M260 F297	F113-F217 HydrophobicContact CE1-CB 4.03Å; F113-F217 HydrophobicContact CE1-CD2 4.2Å; F113-F217 HydrophobicContact CE1-CG 4.04Å; F113-F217 HydrophobicContact CZ-CB 3.94Å; F113-F217 HydrophobicContact CZ-CG 4.45Å; L115-F217 HydrophobicContact CD1-CD1 4.2Å; L115-F217 HydrophobicContact CD1-CD2 4.34Å; L115-F217 HydrophobicContact CD1-CE1 3.71Å; L115-F217 HydrophobicContact CD1-CE2 3.89Å; L115-F217 HydrophobicContact CD1-CG 4.49Å; L115-F217 HydrophobicContact CD1-CZ 3.56Å; L126-F217 HydrophobicContact CD2-CE2 3.43Å; L126-F217 VanDerWaalsContact CD2-CE2 3.43Å; L126-F217 HydrophobicContact CD2-CZ 3.46Å; L126-F217 VanDerWaalsContact CD2-CZ 3.46Å; H194-F217 CarbonylContact C-O 3.5Å; H194-F217 WeakPolarHBondContact CA-O 3.5Å; H194-F217 WeakPolarHBondContact CB-O 3.42Å; G195-F217 PolarHBondContact N-O 3.13Å; G195-F217 PolarHBondContact O-N 2.92Å; F215-F217 HydrophobicContact CB-CE2 4.17Å; F217-W258 HydrophobicContact CB-CB 4.15Å; F217-W258 HydrophobicContact CB-CG 4.42Å; F217-T259 WeakPolarHBondContact CA-O 3.09Å; F217-M260 HydrophobicContact CD1-CB 4.02Å; F217-M260 HydrophobicContact CD1-CG 4.2Å; F217-M260 HydrophobicContact CE1-CB 3.85Å; F217-M260 HydrophobicContact CE1-CG 3.65Å; F217-M260 HydrophobicContact CE1-SD 4.08Å; F217-M260 HydrophobicContact CZ-CG 4.19Å; F217-M260 HydrophobicContact CZ-SD 4.44Å; F217-F297 HydrophobicContact CB-CE1 4.46Å; F217-F297 HydrophobicContact CD1-CD1 4.05Å; F217-F297 AromaticContact CD1-CE1 3.6Å; F217-F297 HydrophobicContact CD1-CE1 3.6Å; F217-F297 HydrophobicContact CE1-CD1 4.38Å; F217-F297 HydrophobicContact CE1-CE1 4.2Å; F217-F297 HydrophobicContact CG-CE1 4.24Å
218	R	98.9	Very high	98.4	Very high	102 Å²	102	37.7 Å²	37.7	39%	0.385	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	116.6	-178	-61.2	-175.8	68	99	2.2	109.1	Q220 W258 T259 Y261	R218-Q220 PolarHBondContact O-N 2.9Å; R218-W258 VanDerWaalsContact O-CA 3.31Å; R218-W258 WeakPolarHBondContact O-CA 3.27Å; R218-T259 PolarHBondContact N-O 3.17Å; R218-T259 PolarHBondContact O-N 3.31Å; R218-Y261 HydrophobicContact CB-CD2 4.43Å; R218-Y261 HydrophobicContact CB-CE2 4.08Å; R218-Y261 HydrophobicContact CG-CD2 3.91Å; R218-Y261 HydrophobicContact CG-CE2 3.91Å
219	T	98.9	Very high	98.5	Very high	14 Å²	14	41.5 Å²	41.5	9%	0.086	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	135.4	173.7	168.9	0	0	0	0	110.6	R191 M193 H194 Q221 G222 I223 W258	R191-T219 VanDerWaalsContact O-CB 3.3Å; R191-T219 WeakPolarHBondContact O-CB 3.44Å; R191-T219 PolarHBondContact O-OG1 3.47Å; M193-T219 WeakPolarHBondContact O-CB 3.46Å; H194-T219 WeakPolarHBondContact ND1-CG2 3.29Å; H194-T219 PolarHBondContact ND1-N 3.43Å; T219-Q221 VanDerWaalsContact C-N 3.34Å; T219-Q221 WeakPolarHBondContact OG1-CB 3.09Å; T219-Q221 PolarHBondContact OG1-N 3.36Å; T219-Q221 PolarHBondContact OG1-OE1 2.93Å; T219-G222 WeakPolarHBondContact CG2-O 3.24Å; T219-I223 HydrophobicContact CG2-CD1 3.73Å; T219-I223 HydrophobicContact CG2-CG1 4.27Å; T219-W258 VanDerWaalsContact CA-CD1 3.4Å; T219-W258 VanDerWaalsContact N-CD1 3.28Å
220	Q	98.9	Very high	98.6	Very high	83 Å²	83	39.8 Å²	39.8	39%	0.388	20%	0.198	S	C	.	.	S	Bend	trans	-88	-4.5	172.3	-61	-173.9	9.5	0	0	112.3	R218 K257 T259 E296	R218-Q220 PolarHBondContact O-N 2.9Å; Q220-K257 HydrophobicContact CB-CB 4.05Å; Q220-K257 WeakPolarHBondContact CB-O 3.28Å; Q220-K257 HydrophobicContact CG-CB 4Å; Q220-K257 PolarHBondContact N-O 3.01Å; Q220-T259 PolarHBondContact NE2-OG1 3.21Å; Q220-E296 PolarHBondContact NE2-OE2 2.96Å
221	Q	98.7	Very high	98.7	Very high	47 Å²	47	39.1 Å²	39.1	22%	0.22	20%	0.196	C	C	.	.	S	Bend	trans	-85.8	-15.5	177.4	-64.3	66.2	59.3	0	0	111.7	R191 T219 K257	R191-Q221 HydrophobicContact CB-CG 4.2Å; R191-Q221 PolarHBondContact O-OE1 2.76Å; T219-Q221 VanDerWaalsContact C-N 3.34Å; T219-Q221 WeakPolarHBondContact OG1-CB 3.09Å; T219-Q221 PolarHBondContact OG1-N 3.36Å; T219-Q221 PolarHBondContact OG1-OE1 2.93Å; Q221-K257 PolarHBondContact NE2-O 3.06Å; Q221-K257 PolarHBondContact OE1-O 3.35Å; Q221-K257 VanDerWaalsContact OE1-O 3.08Å
222	G	98.6	Very high	98.7	Very high	33 Å²	33	41.1 Å²	41.1	34%	0.34	21%	0.214	S	C	.	.			trans	93.9	159.2	-171.8	0	0	0	0	0	111.8	H192 T219	H192-G222 VanDerWaalsContact CA-O 3.25Å; H192-G222 WeakPolarHBondContact CA-O 3.46Å; H192-G222 WeakPolarHBondContact CB-O 3.43Å; H192-G222 PolarHBondContact CD2-O 2.72Å; T219-G222 WeakPolarHBondContact CG2-O 3.24Å
223	I	98.8	Very high	98.7	Very high	53 Å²	53	47 Å²	47	27%	0.272	24%	0.242	S	C	.	.			trans	-87.2	124.6	173.7	-67.9	-65.7	0	0	0	108.5	H192 T219	H192-I223 WeakPolarHBondContact O-CD1 3.49Å; T219-I223 HydrophobicContact CG2-CD1 3.73Å; T219-I223 HydrophobicContact CG2-CG1 4.27Å
224	E	98.6	Very high	98.7	Very high	80 Å²	80	49.5 Å²	49.5	37%	0.374	26%	0.255	S	S	.	.			trans	-134.6	143.4	171.8	-65.9	-171.6	-129	0	0	108.5	K188 H192	K188-E224 HydrophobicContact CB-CB 3.8Å; K188-E224 HydrophobicContact CD-CB 3.69Å; K188-E224 HydrophobicContact CD-CG 4.34Å; K188-E224 WeakPolarHBondContact CD-OE2 3.07Å; K188-E224 WeakPolarHBondContact CE-OE2 3.19Å; K188-E224 HydrophobicContact CG-CB 4.44Å; K188-E224 PolarHBondContact N-O 3.34Å; K188-E224 VanDerWaalsContact NZ-CD 3.32Å; K188-E224 IonicContact NZ-OE1 3.44Å; K188-E224 PolarHBondContact NZ-OE1 2.87Å; K188-E224 IonicContact NZ-OE2 2.7Å; K188-E224 PolarHBondContact NZ-OE2 2.81Å; H192-E224 HydrophobicContact CB-CB 3.91Å; H192-E224 IonicContact CD2-OE1 3.37Å; H192-E224 PolarHBondContact CD2-OE1 2.88Å; H192-E224 IonicContact NE2-OE1 3.95Å; H192-E224 PolarHBondContact NE2-OE1 3.07Å; H192-E224 PolarHBondContact O-N 3.34Å
225	N	98.7	Very high	98.6	Very high	47 Å²	47	51 Å²	51	25%	0.251	26%	0.263	S	S	.	.	B	Isolated β-bridge	trans	-134.1	165.6	-175.8	-53	-64.2	0	0	0	110.1	D183 I186	D183-N225 HydrophobicContact CB-CB 4.07Å; D183-N225 WeakPolarHBondContact O-CB 3.44Å; D183-N225 VanDerWaalsContact O-CG 3.24Å; D183-N225 PolarHBondContact O-OD1 2.74Å; I186-N225 CarbonylContact O-C 3.39Å; I186-N225 VanDerWaalsContact O-CA 3.22Å; I186-N225 WeakPolarHBondContact O-CA 3.35Å; I186-N225 WeakPolarHBondContact O-CB 3.42Å
226	L	98.7	Very high	98.6	Very high	18 Å²	18	53.7 Å²	53.7	9%	0.094	29%	0.287	C	S	.	.			trans	-107.2	145.1	171.6	-55.4	170.4	0	0	0	109.7	A106 I186 K188 E230 A231 I234	A106-L226 HydrophobicContact CB-CD1 4.08Å; I186-L226 HydrophobicContact CB-CB 4.27Å; I186-L226 HydrophobicContact CG2-CB 3.83Å; I186-L226 HydrophobicContact CG2-CD1 3.87Å; I186-L226 HydrophobicContact CG2-CG 4.21Å; I186-L226 PolarHBondContact O-N 3.34Å; K188-L226 HydrophobicContact CG-CD2 4.45Å; L226-E230 WeakPolarHBondContact CA-OE2 3.18Å; L226-E230 HydrophobicContact CB-CB 4.2Å; L226-E230 HydrophobicContact CD2-CB 4.23Å; L226-A231 HydrophobicContact CB-CB 4.28Å; L226-A231 HydrophobicContact CD1-CB 4.4Å; L226-I234 HydrophobicContact CD1-CD1 3.62Å; L226-I234 HydrophobicContact CD2-CD1 3.78Å; L226-I234 HydrophobicContact CG-CD1 4.36Å
227	T	98.4	Very high	98.6	Very high	40 Å²	40	59 Å²	59	25%	0.245	32%	0.32	C	S	.	.			trans	-72.5	167.8	160.7	79.6	0	0	0	0	110.8	E229 E230 A231	T227-E229 VanDerWaalsContact CB-OE2 3.29Å; T227-E229 WeakPolarHBondContact CB-OE2 3.49Å; T227-E229 PolarHBondContact O-N 3.04Å; T227-E229 PolarHBondContact OG1-N 3.41Å; T227-E229 PolarHBondContact OG1-OE2 2.82Å; T227-E230 PolarHBondContact N-OE2 2.77Å; T227-E230 PolarHBondContact O-N 3.21Å; T227-E230 PolarHBondContact OG1-N 3.36Å; T227-A231 VanDerWaalsContact O-CB 3.25Å; T227-A231 WeakPolarHBondContact O-CB 3.39Å; T227-A231 PolarHBondContact O-N 3.1Å
228	D	97.8	Very high	98.6	Very high	41 Å²	41	60.2 Å²	60.2	22%	0.219	33%	0.327	C	S	.	.	H	α-helix	trans	-60	-34.9	175.2	-77.8	-7	0	0	0	111.3	R108 I186 A232 N448	R108-D228 IonicContact CZ-OD1 2.69Å; R108-D228 IonicContact NE-OD1 2.79Å; R108-D228 PolarHBondContact NE-OD1 2.84Å; R108-D228 IonicContact NH2-OD1 3.86Å; R108-D228 PolarHBondContact NH2-OD1 2.88Å; R108-D228 IonicContact NH2-OD2 2.7Å; I186-D228 WeakPolarHBondContact CD1-OD1 3.32Å; D228-A232 WeakPolarHBondContact O-CB 3.37Å; D228-A232 PolarHBondContact O-N 3.28Å; D228-N448 PolarHBondContact OD2-OD1 3.43Å
229	E	98.1	Very high	98.6	Very high	111 Å²	111	61 Å²	61	52%	0.519	33%	0.329	S	S	.	.	H	α-helix	trans	-69.5	-48.7	177.6	-58.6	74	-160.8	0	0	112.3	T227 A231 A232 E233	T227-E229 VanDerWaalsContact CB-OE2 3.29Å; T227-E229 WeakPolarHBondContact CB-OE2 3.49Å; T227-E229 PolarHBondContact O-N 3.04Å; T227-E229 PolarHBondContact OG1-N 3.41Å; T227-E229 PolarHBondContact OG1-OE2 2.82Å; E229-A231 VanDerWaalsContact C-N 3.29Å; E229-A231 PolarHBondContact O-N 2.68Å; E229-A232 WeakPolarHBondContact O-CB 3.33Å; E229-A232 PolarHBondContact O-N 3.49Å; E229-A232 VanDerWaalsContact O-N 3.13Å; E229-E233 PolarHBondContact O-N 3.43Å
230	E	98.6	Very high	98.6	Very high	89 Å²	89	63.7 Å²	63.7	42%	0.416	34%	0.344	S	S	.	.	H	α-helix	trans	-60.8	-41.9	176.8	-67.8	173.3	146.6	0	0	110.8	L226 T227 E233 I234	L226-E230 WeakPolarHBondContact CA-OE2 3.18Å; L226-E230 HydrophobicContact CB-CB 4.2Å; L226-E230 HydrophobicContact CD2-CB 4.23Å; T227-E230 PolarHBondContact N-OE2 2.77Å; T227-E230 PolarHBondContact O-N 3.21Å; T227-E230 PolarHBondContact OG1-N 3.36Å; E230-E233 PolarHBondContact O-N 2.82Å; E230-I234 WeakPolarHBondContact O-CG1 3.35Å; E230-I234 PolarHBondContact O-N 3.23Å
231	A	98.8	Very high	98.6	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.033	33%	0.333	C	S	.	.	H	α-helix	trans	-60.5	-44.5	173.7	0	0	0	0	0	111.7	A106 I186 L226 T227 E229 E233 I234 I235	A106-A231 HydrophobicContact CB-CB 4.49Å; A106-A231 WeakPolarHBondContact O-CB 3.3Å; I186-A231 HydrophobicContact CD1-CB 3.8Å; I186-A231 HydrophobicContact CG2-CB 4.24Å; L226-A231 HydrophobicContact CB-CB 4.28Å; L226-A231 HydrophobicContact CD1-CB 4.4Å; T227-A231 VanDerWaalsContact O-CB 3.25Å; T227-A231 WeakPolarHBondContact O-CB 3.39Å; T227-A231 PolarHBondContact O-N 3.1Å; E229-A231 VanDerWaalsContact C-N 3.29Å; E229-A231 PolarHBondContact O-N 2.68Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.44Å; A231-I234 PolarHBondContact O-N 3.36Å; A231-I235 WeakPolarHBondContact O-CB 3.4Å; A231-I235 WeakPolarHBondContact O-CG1 3.18Å; A231-I235 PolarHBondContact O-N 2.77Å
232	A	98.5	Very high	98.6	Very high	58 Å²	58	58.8 Å²	58.8	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-61.7	-40	177.9	0	0	0	0	0	112.5	D228 E229 I235 A236	D228-A232 WeakPolarHBondContact O-CB 3.37Å; D228-A232 PolarHBondContact O-N 3.28Å; E229-A232 WeakPolarHBondContact O-CB 3.33Å; E229-A232 PolarHBondContact O-N 3.49Å; E229-A232 VanDerWaalsContact O-N 3.13Å; A232-I235 PolarHBondContact O-N 3.34Å; A232-A236 WeakPolarHBondContact O-CB 3.28Å; A232-A236 PolarHBondContact O-N 2.96Å
233	E	98.6	Very high	98.6	Very high	142 Å²	142	59.2 Å²	59.2	66%	0.664	32%	0.317	S	S	*	.	H	α-helix	trans	-63.9	-43.9	175.6	-70.2	-177.2	178.2	0	0	112.3	E229 E230 A231 A236 T237	E229-E233 PolarHBondContact O-N 3.43Å; E230-E233 PolarHBondContact O-N 2.82Å; A231-E233 VanDerWaalsContact C-N 3.34Å; A231-E233 PolarHBondContact O-N 3.44Å; E233-A236 PolarHBondContact O-N 3.42Å; E233-T237 PolarHBondContact O-OG1 2.74Å
234	I	98.6	Very high	98.6	Very high	53 Å²	53	62.3 Å²	62.3	27%	0.272	33%	0.325	S	S	.	.	H	α-helix	trans	-63.6	-51	175.5	-70.2	167.1	0	0	0	109.8	A106 L226 E230 A231 A236 T237 D238 S241	A106-I234 HydrophobicContact CB-CG2 4.28Å; L226-I234 HydrophobicContact CD1-CD1 3.62Å; L226-I234 HydrophobicContact CD2-CD1 3.78Å; L226-I234 HydrophobicContact CG-CD1 4.36Å; E230-I234 WeakPolarHBondContact O-CG1 3.35Å; E230-I234 PolarHBondContact O-N 3.23Å; A231-I234 PolarHBondContact O-N 3.36Å; I234-A236 PolarHBondContact O-N 2.88Å; I234-T237 PolarHBondContact O-N 3.24Å; I234-T237 PolarHBondContact O-OG1 3.03Å; I234-D238 PolarHBondContact O-N 2.77Å; I234-S241 VanDerWaalsContact CG2-CB 3.48Å
235	I	98.7	Very high	98.6	Very high	39 Å²	39	60.4 Å²	60.4	20%	0.2	32%	0.317	C	S	.	.	H	α-helix	trans	-58.1	-38.3	-180	-67.9	171.7	0	0	0	110.2	A104 A106 E107 A231 A232 T237 R239	A104-I235 HydrophobicContact CB-CB 4.44Å; A104-I235 HydrophobicContact CB-CD1 3.99Å; A104-I235 HydrophobicContact CB-CG1 3.84Å; A104-I235 HydrophobicContact CB-CG2 3.83Å; A106-I235 HydrophobicContact CB-CD1 4.36Å; A106-I235 HydrophobicContact CB-CG1 3.98Å; E107-I235 HydrophobicContact CG-CD1 4.26Å; A231-I235 WeakPolarHBondContact O-CB 3.4Å; A231-I235 WeakPolarHBondContact O-CG1 3.18Å; A231-I235 PolarHBondContact O-N 2.77Å; A232-I235 PolarHBondContact O-N 3.34Å; I235-T237 PolarHBondContact O-N 3.43Å; I235-T237 VanDerWaalsContact O-N 3.15Å; I235-R239 WeakPolarHBondContact O-CD 3.4Å; I235-R239 PolarHBondContact O-NE 3.36Å; I235-R239 PolarHBondContact O-NH1 3.13Å; I235-R239 PolarHBondContact O-NH2 3.42Å
236	A	98.6	Very high	98.6	Very high	62 Å²	62	58.2 Å²	58.2	51%	0.512	31%	0.306	S	S	.	.	H	α-helix	trans	-58	-29.5	179.3	0	0	0	0	0	113	A232 E233 I234 R239	A232-A236 WeakPolarHBondContact O-CB 3.28Å; A232-A236 PolarHBondContact O-N 2.96Å; E233-A236 PolarHBondContact O-N 3.42Å; I234-A236 PolarHBondContact O-N 2.88Å; A236-R239 PolarHBondContact O-NH1 3.06Å
237	T	98.2	Very high	98.6	Very high	121 Å²	121	61.3 Å²	61.3	74%	0.742	32%	0.319	S	S	*	.	H	α-helix	trans	-108.9	-30.6	-174.8	59.7	0	0	0	0	114	E233 I234 I235	E233-T237 PolarHBondContact O-OG1 2.74Å; I234-T237 PolarHBondContact O-N 3.24Å; I234-T237 PolarHBondContact O-OG1 3.03Å; I235-T237 PolarHBondContact O-N 3.43Å; I235-T237 VanDerWaalsContact O-N 3.15Å
238	D	98.7	Very high	98.7	Very high	28 Å²	28	62.9 Å²	62.9	15%	0.15	32%	0.323	C	S	.	.			trans	-148.5	114.2	-176.1	-168.9	7.9	0	0	0	112.2	I234 D240 S241 R244	I234-D238 PolarHBondContact O-N 2.77Å; D238-D240 VanDerWaalsContact C-N 3.27Å; D238-D240 PolarHBondContact OD1-N 2.96Å; D238-S241 WeakPolarHBondContact OD2-CA 3.25Å; D238-R244 IonicContact OD1-NH2 2.67Å; D238-R244 PolarHBondContact OD1-NH2 2.86Å; D238-R244 IonicContact OD2-CZ 3.38Å; D238-R244 IonicContact OD2-NE 3.77Å; D238-R244 PolarHBondContact OD2-NE 2.74Å; D238-R244 IonicContact OD2-NH2 3.41Å; D238-R244 PolarHBondContact OD2-NH2 2.79Å; D238-R244 VanDerWaalsContact OD2-NH2 3.16Å
239	R	98.7	Very high	98.7	Very high	117 Å²	117	61.3 Å²	61.3	44%	0.442	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.9	177	-80.3	62.8	174.6	-178.4	6.7	111.8	K58 A104 D105 I235 A236	K58-R239 PolarHBondContact NZ-O 3.43Å; A104-R239 HydrophobicContact CB-CB 4.4Å; A104-R239 HydrophobicContact CB-CG 4.01Å; D105-R239 PolarHBondContact N-O 2.84Å; I235-R239 WeakPolarHBondContact O-CD 3.4Å; I235-R239 PolarHBondContact O-NE 3.36Å; I235-R239 PolarHBondContact O-NH1 3.13Å; I235-R239 PolarHBondContact O-NH2 3.42Å; A236-R239 PolarHBondContact O-NH1 3.06Å
240	D	98.8	Very high	98.7	Very high	72 Å²	72	56.4 Å²	56.4	39%	0.385	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	27	-174.9	-54.4	-50.7	0	0	0	111.4	K58 D105 D238 S242 Q243 R244	K58-D240 VanDerWaalsContact CE-OD1 3.26Å; K58-D240 WeakPolarHBondContact CE-OD1 3.34Å; K58-D240 IonicContact NZ-OD1 3.15Å; K58-D240 PolarHBondContact NZ-OD1 2.82Å; D105-D240 VanDerWaalsContact OD2-CA 3.31Å; D105-D240 WeakPolarHBondContact OD2-CA 3.44Å; D238-D240 VanDerWaalsContact C-N 3.27Å; D238-D240 PolarHBondContact OD1-N 2.96Å; D240-S242 VanDerWaalsContact C-N 3.32Å; D240-S242 PolarHBondContact O-N 2.7Å; D240-Q243 HydrophobicContact CB-CB 4.4Å; D240-Q243 WeakPolarHBondContact O-CB 3.48Å; D240-Q243 PolarHBondContact O-N 2.76Å; D240-R244 WeakPolarHBondContact O-CB 2.94Å; D240-R244 PolarHBondContact O-N 2.82Å
241	S	98.9	Very high	98.7	Very high	22 Å²	22	58 Å²	58	15%	0.154	30%	0.3	C	S	.	.	H	α-helix	trans	-58.9	-38.7	-171.7	56.7	0	0	0	0	113.6	D105 I234 D238 R244 D245	D105-S241 PolarHBondContact OD2-N 3.31Å; I234-S241 VanDerWaalsContact CG2-CB 3.48Å; D238-S241 WeakPolarHBondContact OD2-CA 3.25Å; S241-R244 PolarHBondContact O-N 3.05Å; S241-D245 WeakPolarHBondContact O-CB 3.41Å; S241-D245 PolarHBondContact O-N 3.07Å
242	S	98.9	Very high	98.7	Very high	5 Å²	5	65 Å²	65	4%	0.035	33%	0.33	C	S	.	.	H	α-helix	trans	-76	-36.5	178.1	-74	0	0	0	0	112.5	D105 D240 R244 L246	D105-S242 WeakPolarHBondContact OD2-CB 3.29Å; D105-S242 PolarHBondContact OD2-N 3.3Å; D240-S242 VanDerWaalsContact C-N 3.32Å; D240-S242 PolarHBondContact O-N 2.7Å; S242-R244 VanDerWaalsContact C-N 3.34Å; S242-L246 PolarHBondContact O-N 2.96Å; S242-L246 VanDerWaalsContact O-N 3.17Å
243	Q	98.9	Very high	98.7	Very high	42 Å²	42	64.1 Å²	64.1	20%	0.196	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-44.5	169.7	172.6	60.8	49.2	0	0	111	S60 D105 D240 F247	S60-Q243 VanDerWaalsContact CA-OE1 3.31Å; S60-Q243 VanDerWaalsContact OG-CA 3.26Å; S60-Q243 WeakPolarHBondContact OG-CA 3.24Å; S60-Q243 WeakPolarHBondContact OG-CB 3.22Å; S60-Q243 PolarHBondContact OG-OE1 2.98Å; D105-Q243 PolarHBondContact OD2-N 2.84Å; D240-Q243 HydrophobicContact CB-CB 4.4Å; D240-Q243 WeakPolarHBondContact O-CB 3.48Å; D240-Q243 PolarHBondContact O-N 2.76Å; Q243-F247 WeakPolarHBondContact O-CB 3.38Å; Q243-F247 PolarHBondContact O-N 3.4Å
244	R	98.8	Very high	98.7	Very high	118 Å²	118	61.5 Å²	61.5	45%	0.445	32%	0.317	S	S	.	.	H	α-helix	trans	-63.1	-49.2	179.3	-171.7	-177.2	-49.5	-69	-10.9	111.4	D238 D240 S241 S242 L246 F247 E248	D238-R244 IonicContact OD1-NH2 2.67Å; D238-R244 PolarHBondContact OD1-NH2 2.86Å; D238-R244 IonicContact OD2-CZ 3.38Å; D238-R244 IonicContact OD2-NE 3.77Å; D238-R244 PolarHBondContact OD2-NE 2.74Å; D238-R244 IonicContact OD2-NH2 3.41Å; D238-R244 PolarHBondContact OD2-NH2 2.79Å; D238-R244 VanDerWaalsContact OD2-NH2 3.16Å; D240-R244 WeakPolarHBondContact O-CB 2.94Å; D240-R244 PolarHBondContact O-N 2.82Å; S241-R244 PolarHBondContact O-N 3.05Å; S242-R244 VanDerWaalsContact C-N 3.34Å; R244-L246 PolarHBondContact O-N 3.39Å; R244-F247 PolarHBondContact O-N 2.9Å; R244-E248 WeakPolarHBondContact CD-OE1 3.36Å; R244-E248 HydrophobicContact CG-CG 4.15Å; R244-E248 WeakPolarHBondContact CG-OE1 3.18Å; R244-E248 VanDerWaalsContact O-CB 3.3Å; R244-E248 WeakPolarHBondContact O-CB 3.42Å; R244-E248 WeakPolarHBondContact O-CG 3.33Å; R244-E248 PolarHBondContact O-N 2.73Å
245	D	98.9	Very high	98.7	Very high	39 Å²	39	63.3 Å²	63.3	21%	0.209	32%	0.321	C	S	.	.	H	α-helix	trans	-55.2	-54.1	178.2	171.7	81.3	0	0	0	111.5	D189 R191 S241 F247 A249	D189-D245 HydrophobicContact CB-CB 3.87Å; D189-D245 VanDerWaalsContact CB-CG 3.49Å; D189-D245 VanDerWaalsContact CB-OD2 3.31Å; D189-D245 WeakPolarHBondContact CB-OD2 3.48Å; R191-D245 WeakPolarHBondContact CD-OD2 3.48Å; R191-D245 IonicContact CZ-OD1 3.85Å; R191-D245 IonicContact CZ-OD2 2.64Å; R191-D245 IonicContact NE-OD1 3.69Å; R191-D245 PolarHBondContact NE-OD1 3.26Å; R191-D245 IonicContact NE-OD2 3.97Å; R191-D245 PolarHBondContact NE-OD2 2.67Å; R191-D245 IonicContact NH2-OD1 2.8Å; R191-D245 PolarHBondContact NH2-OD1 3.5Å; R191-D245 IonicContact NH2-OD2 2.82Å; S241-D245 WeakPolarHBondContact O-CB 3.41Å; S241-D245 PolarHBondContact O-N 3.07Å; D245-F247 PolarHBondContact O-N 3.49Å; D245-A249 WeakPolarHBondContact O-CB 3.16Å; D245-A249 PolarHBondContact O-N 2.95Å
246	L	98.9	Very high	98.8	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-46.5	-177.9	179.9	64.5	0	0	0	111.9	A62 F94 L190 R191 S242 R244 I250 P256 L299	A62-L246 HydrophobicContact CB-CD2 4.39Å; F94-L246 HydrophobicContact CD2-CD2 3.98Å; F94-L246 HydrophobicContact CE2-CD2 4.15Å; L190-L246 HydrophobicContact CD1-CB 4.25Å; L190-L246 HydrophobicContact CD1-CD2 4.02Å; R191-L246 HydrophobicContact CG-CD1 4.31Å; S242-L246 PolarHBondContact O-N 2.96Å; S242-L246 VanDerWaalsContact O-N 3.17Å; R244-L246 PolarHBondContact O-N 3.39Å; L246-I250 HydrophobicContact CD1-CD1 3.94Å; L246-I250 HydrophobicContact CG-CD1 4.19Å; L246-I250 WeakPolarHBondContact O-CG1 3.15Å; L246-I250 PolarHBondContact O-N 3.19Å; L246-P256 HydrophobicContact CD1-CG 3.92Å; L246-L299 HydrophobicContact CD1-CD1 4.5Å
247	F	98.9	Very high	98.8	Very high	84 Å²	84	61.2 Å²	61.2	37%	0.368	30%	0.299	S	S	.	.	H	α-helix	trans	-61.5	-51	-178.8	-178.5	-86.5	0	0	0	111.1	Q243 R244 D245 I250 E251 N302	Q243-F247 WeakPolarHBondContact O-CB 3.38Å; Q243-F247 PolarHBondContact O-N 3.4Å; R244-F247 PolarHBondContact O-N 2.9Å; D245-F247 PolarHBondContact O-N 3.49Å; F247-I250 PolarHBondContact O-N 3.14Å; F247-E251 HydrophobicContact CD1-CG 3.97Å; F247-E251 HydrophobicContact CE1-CG 3.55Å; F247-E251 HydrophobicContact CZ-CG 4Å; F247-E251 WeakPolarHBondContact O-CG 3.41Å; F247-E251 PolarHBondContact O-N 2.99Å; F247-N302 HydrophobicContact CD2-CB 4.16Å; F247-N302 WeakPolarHBondContact CD2-ND2 3.12Å; F247-N302 HydrophobicContact CE2-CB 4.04Å; F247-N302 PolarHBondContact O-ND2 2.98Å
248	E	98.9	Very high	98.8	Very high	73 Å²	73	55.5 Å²	55.5	34%	0.341	26%	0.264	S	S	.	.	H	α-helix	trans	-68.2	-35.4	-177.9	-71.9	-171.4	-163.6	0	0	112.8	R244 I250 E251 K252	R244-E248 WeakPolarHBondContact CD-OE1 3.36Å; R244-E248 HydrophobicContact CG-CG 4.15Å; R244-E248 WeakPolarHBondContact CG-OE1 3.18Å; R244-E248 VanDerWaalsContact O-CB 3.3Å; R244-E248 WeakPolarHBondContact O-CB 3.42Å; R244-E248 WeakPolarHBondContact O-CG 3.33Å; R244-E248 PolarHBondContact O-N 2.73Å; E248-I250 VanDerWaalsContact C-N 3.34Å; E248-E251 PolarHBondContact O-N 2.84Å; E248-K252 WeakPolarHBondContact O-CB 3.23Å; E248-K252 WeakPolarHBondContact O-CD 3.22Å; E248-K252 WeakPolarHBondContact O-CG 3.44Å; E248-K252 PolarHBondContact O-N 2.79Å; E248-K252 IonicContact OE2-NZ 3.17Å; E248-K252 PolarHBondContact OE2-NZ 2.94Å
249	A	98.9	Very high	98.8	Very high	7 Å²	7	55 Å²	55	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-60.1	-46.6	175.6	0	0	0	0	0	110.7	D245 K252 G253 D254	D245-A249 WeakPolarHBondContact O-CB 3.16Å; D245-A249 PolarHBondContact O-N 2.95Å; A249-K252 PolarHBondContact O-N 3.38Å; A249-G253 PolarHBondContact O-N 3.15Å; A249-D254 HydrophobicContact CB-CB 4.36Å; A249-D254 WeakPolarHBondContact O-CA 3Å; A249-D254 PolarHBondContact O-N 2.82Å
250	I	98.9	Very high	98.8	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-65.7	-43.9	177.6	-66.7	171.8	0	0	0	111.6	A62 L246 F247 E248 K252 G253 Y255 L299	A62-I250 HydrophobicContact CB-CD1 3.5Å; A62-I250 VanDerWaalsContact CB-CD1 3.5Å; L246-I250 HydrophobicContact CD1-CD1 3.94Å; L246-I250 HydrophobicContact CG-CD1 4.19Å; L246-I250 WeakPolarHBondContact O-CG1 3.15Å; L246-I250 PolarHBondContact O-N 3.19Å; F247-I250 PolarHBondContact O-N 3.14Å; E248-I250 VanDerWaalsContact C-N 3.34Å; I250-K252 PolarHBondContact O-N 2.84Å; I250-G253 PolarHBondContact O-N 2.85Å; I250-Y255 HydrophobicContact CG2-CD1 4.41Å; I250-Y255 HydrophobicContact CG2-CE1 4.21Å; I250-Y255 WeakPolarHBondContact O-CE1 3.49Å; I250-L299 HydrophobicContact CD1-CB 4.26Å
251	E	98.6	Very high	98.8	Very high	123 Å²	123	48.4 Å²	48.4	58%	0.575	23%	0.232	S	C	*	.	H	α-helix	trans	-59.3	-33.1	175.9	-73.6	-55.8	132.9	0	0	112.6	F247 E248 G253 N302	F247-E251 HydrophobicContact CD1-CG 3.97Å; F247-E251 HydrophobicContact CE1-CG 3.55Å; F247-E251 HydrophobicContact CZ-CG 4Å; F247-E251 WeakPolarHBondContact O-CG 3.41Å; F247-E251 PolarHBondContact O-N 2.99Å; E248-E251 PolarHBondContact O-N 2.84Å; E251-G253 VanDerWaalsContact C-N 3.33Å; E251-N302 PolarHBondContact OE1-ND2 2.76Å
252	K	98.6	Very high	98.8	Very high	150 Å²	150	47.4 Å²	47.4	65%	0.652	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-4.5	178.9	-67.6	166.2	-166.5	162.4	0	113.4	E248 A249 I250 D254	E248-K252 WeakPolarHBondContact O-CB 3.23Å; E248-K252 WeakPolarHBondContact O-CD 3.22Å; E248-K252 WeakPolarHBondContact O-CG 3.44Å; E248-K252 PolarHBondContact O-N 2.79Å; E248-K252 IonicContact OE2-NZ 3.17Å; E248-K252 PolarHBondContact OE2-NZ 2.94Å; A249-K252 PolarHBondContact O-N 3.38Å; I250-K252 PolarHBondContact O-N 2.84Å; K252-D254 VanDerWaalsContact C-N 3.33Å
253	G	98.6	Very high	98.8	Very high	40 Å²	40	47.3 Å²	47.3	41%	0.412	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	11.2	-175.5	0	0	0	0	0	114.9	A249 I250 E251 Y255	A249-G253 PolarHBondContact O-N 3.15Å; I250-G253 PolarHBondContact O-N 2.85Å; E251-G253 VanDerWaalsContact C-N 3.33Å; G253-Y255 VanDerWaalsContact C-N 3.28Å; G253-Y255 PolarHBondContact O-N 2.85Å; G253-Y255 VanDerWaalsContact O-N 3.16Å
254	D	98.7	Very high	98.8	Very high	88 Å²	88	46.3 Å²	46.3	47%	0.471	22%	0.221	S	C	.	.			trans	-85.9	68.5	173.4	-177.4	29.5	0	0	0	109.9	R191 A249 K252 P256	R191-D254 IonicContact CZ-OD2 2.74Å; R191-D254 IonicContact NH1-OD2 3.87Å; R191-D254 PolarHBondContact NH1-OD2 2.93Å; A249-D254 HydrophobicContact CB-CB 4.36Å; A249-D254 WeakPolarHBondContact O-CA 3Å; A249-D254 PolarHBondContact O-N 2.82Å; K252-D254 VanDerWaalsContact C-N 3.33Å; D254-P256 WeakPolarHBondContact O-CD 3.16Å
255	Y	98.8	Very high	98.8	Very high	91 Å²	91	40.7 Å²	40.7	36%	0.357	20%	0.199	S	C	.	.			trans	-69.9	118.4	-172.1	-56	-37.9	0	0	0	112.1	I250 G253 E298 L299 N300	I250-Y255 HydrophobicContact CG2-CD1 4.41Å; I250-Y255 HydrophobicContact CG2-CE1 4.21Å; I250-Y255 WeakPolarHBondContact O-CE1 3.49Å; G253-Y255 VanDerWaalsContact C-N 3.28Å; G253-Y255 PolarHBondContact O-N 2.85Å; G253-Y255 VanDerWaalsContact O-N 3.16Å; Y255-E298 VanDerWaalsContact CB-CG 3.44Å; Y255-E298 HydrophobicContact CD2-CG 4.38Å; Y255-E298 HydrophobicContact CG-CG 4.25Å; Y255-L299 WeakPolarHBondContact CB-O 3.46Å; Y255-N300 HydrophobicContact CD1-CB 3.83Å; Y255-N300 HydrophobicContact CD2-CB 3.77Å; Y255-N300 HydrophobicContact CE1-CB 3.98Å; Y255-N300 HydrophobicContact CE2-CB 3.94Å; Y255-N300 HydrophobicContact CG-CB 3.73Å
256	P	98.9	Very high	98.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.206	C	C	.	.			trans	-71.4	146.7	177.8	29.6	-35.1	0	0	0	111.6	R191 L246 D254 W258 E298 L299	R191-P256 HydrophobicContact CB-CB 3.93Å; R191-P256 HydrophobicContact CG-CB 3.64Å; R191-P256 HydrophobicContact CG-CG 3.91Å; L246-P256 HydrophobicContact CD1-CG 3.92Å; D254-P256 WeakPolarHBondContact O-CD 3.16Å; P256-W258 HydrophobicContact CB-CH2 3.67Å; P256-W258 HydrophobicContact CB-CZ3 3.62Å; P256-W258 HydrophobicContact CG-CH2 4.04Å; P256-W258 HydrophobicContact CG-CZ3 3.94Å; P256-E298 WeakPolarHBondContact O-CA 3.09Å; P256-L299 WeakPolarHBondContact CD-O 3.16Å; P256-L299 HydrophobicContact CG-CB 4.12Å; P256-L299 PolarHBondContact O-N 3.02Å
257	K	98.9	Very high	98.5	Very high	57 Å²	57	44.7 Å²	44.7	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	144.7	-173.1	-66.3	-173.7	179.6	-164.5	0	112.4	Q220 Q221 F297 E298	Q220-K257 HydrophobicContact CB-CB 4.05Å; Q220-K257 WeakPolarHBondContact CB-O 3.28Å; Q220-K257 HydrophobicContact CG-CB 4Å; Q220-K257 PolarHBondContact N-O 3.01Å; Q221-K257 PolarHBondContact NE2-O 3.06Å; Q221-K257 PolarHBondContact OE1-O 3.35Å; Q221-K257 VanDerWaalsContact OE1-O 3.08Å; K257-F297 WeakPolarHBondContact CA-O 3.13Å; K257-E298 WeakPolarHBondContact CE-OE2 3.33Å; K257-E298 HydrophobicContact CG-CB 3.93Å; K257-E298 HydrophobicContact CG-CG 3.96Å; K257-E298 IonicContact NZ-OE2 2.74Å; K257-E298 PolarHBondContact NZ-OE2 2.81Å
258	W	98.9	Very high	98.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	136	171.3	-67.7	-105.4	0	0	0	110.5	F94 F113 L190 M193 F217 R218 T219 P256 E296 F297 L299	F94-W258 HydrophobicContact CE2-CH2 4.35Å; F94-W258 AromaticContact CZ-CH2 3.8Å; F94-W258 HydrophobicContact CZ-CH2 3.8Å; F94-W258 HydrophobicContact CZ-CZ2 4.12Å; F94-W258 HydrophobicContact CZ-CZ3 4.37Å; F113-W258 AromaticContact CE2-CE2 3.9Å; F113-W258 HydrophobicContact CE2-CZ2 4.28Å; F113-W258 AromaticContact CE2-NE1 3.55Å; F113-W258 AromaticContact CZ-CD1 3.71Å; F113-W258 HydrophobicContact CZ-CD2 4.06Å; F113-W258 AromaticContact CZ-CE2 3.85Å; F113-W258 AromaticContact CZ-CG 4Å; F113-W258 HydrophobicContact CZ-CG 4Å; F113-W258 HydrophobicContact CZ-CZ2 4.46Å; F113-W258 AromaticContact CZ-NE1 3.65Å; L190-W258 WeakPolarHBondContact O-CZ2 3.5Å; M193-W258 PolarHBondContact O-NE1 2.86Å; F217-W258 HydrophobicContact CB-CB 4.15Å; F217-W258 HydrophobicContact CB-CG 4.42Å; R218-W258 VanDerWaalsContact O-CA 3.31Å; R218-W258 WeakPolarHBondContact O-CA 3.27Å; T219-W258 VanDerWaalsContact CA-CD1 3.4Å; T219-W258 VanDerWaalsContact N-CD1 3.28Å; P256-W258 HydrophobicContact CB-CH2 3.67Å; P256-W258 HydrophobicContact CB-CZ3 3.62Å; P256-W258 HydrophobicContact CG-CH2 4.04Å; P256-W258 HydrophobicContact CG-CZ3 3.94Å; W258-E296 CarbonylContact O-C 3.49Å; W258-E296 WeakPolarHBondContact O-CA 3.48Å; W258-E296 WeakPolarHBondContact O-CB 3.44Å; W258-F297 HydrophobicContact CB-CD1 4.05Å; W258-F297 HydrophobicContact CB-CE1 3.53Å; W258-F297 HydrophobicContact CB-CE2 4.45Å; W258-F297 HydrophobicContact CB-CZ 3.76Å; W258-F297 HydrophobicContact CD2-CE1 4.27Å; W258-F297 AromaticContact CD2-CE2 3.87Å; W258-F297 HydrophobicContact CD2-CE2 3.87Å; W258-F297 AromaticContact CD2-CZ 3.54Å; W258-F297 HydrophobicContact CD2-CZ 3.54Å; W258-F297 AromaticContact CE3-CD2 3.93Å; W258-F297 HydrophobicContact CE3-CD2 3.93Å; W258-F297 HydrophobicContact CE3-CE1 4.27Å; W258-F297 AromaticContact CE3-CE2 3.11Å; W258-F297 HydrophobicContact CE3-CE2 3.11Å; W258-F297 AromaticContact CE3-CZ 3.32Å; W258-F297 HydrophobicContact CE3-CZ 3.32Å; W258-F297 HydrophobicContact CG-CE1 4.01Å; W258-F297 HydrophobicContact CG-CE2 4.43Å; W258-F297 AromaticContact CG-CZ 3.75Å; W258-F297 HydrophobicContact CG-CZ 3.75Å; W258-F297 HydrophobicContact CZ3-CD2 4.5Å; W258-F297 AromaticContact CZ3-CE2 3.6Å; W258-F297 HydrophobicContact CZ3-CE2 3.6Å; W258-F297 HydrophobicContact CZ3-CZ 4.08Å; W258-F297 PolarHBondContact N-O 3.41Å; W258-F297 PolarHBondContact O-N 2.81Å; W258-L299 HydrophobicContact CH2-CD1 4.21Å; W258-L299 HydrophobicContact CZ3-CD1 3.86Å; W258-L299 HydrophobicContact CZ3-CG 4.08Å
259	T	98.9	Very high	98.3	Very high	18 Å²	18	48.1 Å²	48.1	11%	0.11	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.6	168.8	-54.1	0	0	0	0	109.4	F217 R218 Q220 Y261 E293	F217-T259 WeakPolarHBondContact CA-O 3.09Å; R218-T259 PolarHBondContact N-O 3.17Å; R218-T259 PolarHBondContact O-N 3.31Å; Q220-T259 PolarHBondContact NE2-OG1 3.21Å; T259-Y261 HydrophobicContact CG2-CD2 4.13Å; T259-Y261 HydrophobicContact CG2-CE1 4.39Å; T259-Y261 HydrophobicContact CG2-CE2 3.4Å; T259-Y261 VanDerWaalsContact CG2-CE2 3.4Å; T259-Y261 WeakPolarHBondContact O-CD2 3.36Å; T259-E293 HydrophobicContact CG2-CG 3.84Å
260	M	98.9	Very high	98.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	129	174.8	-178.2	-176.3	176.5	0	0	110.3	F66 F81 W124 F215 H216 F217 I262 V294 G295	F66-M260 HydrophobicContact CE2-CB 4.07Å; F66-M260 HydrophobicContact CE2-SD 3.73Å; F66-M260 HydrophobicContact CZ-SD 3.87Å; F81-M260 HydrophobicContact CE1-CE 4.12Å; F81-M260 HydrophobicContact CE1-SD 4.02Å; F81-M260 HydrophobicContact CZ-CE 3.75Å; F81-M260 HydrophobicContact CZ-SD 4.23Å; W124-M260 HydrophobicContact CH2-CE 4.08Å; F215-M260 HydrophobicContact CD1-CE 3.35Å; F215-M260 HydrophobicContact CE1-CE 3.57Å; H216-M260 CarbonylContact O-C 3.57Å; H216-M260 WeakPolarHBondContact O-CA 3.08Å; F217-M260 HydrophobicContact CD1-CB 4.02Å; F217-M260 HydrophobicContact CD1-CG 4.2Å; F217-M260 HydrophobicContact CE1-CB 3.85Å; F217-M260 HydrophobicContact CE1-CG 3.65Å; F217-M260 HydrophobicContact CE1-SD 4.08Å; F217-M260 HydrophobicContact CZ-CG 4.19Å; F217-M260 HydrophobicContact CZ-SD 4.44Å; M260-I262 HydrophobicContact CE-CG2 4.22Å; M260-V294 HydrophobicContact CB-CB 4.43Å; M260-V294 HydrophobicContact CE-CG1 4.41Å; M260-V294 HydrophobicContact CE-CG2 4.47Å; M260-V294 HydrophobicContact CG-CB 4.11Å; M260-V294 HydrophobicContact CG-CG2 4.4Å; M260-V294 PolarHBondContact O-N 3.43Å; M260-V294 HydrophobicContact SD-CB 4.11Å; M260-V294 HydrophobicContact SD-CG1 4.06Å; M260-G295 PolarHBondContact N-O 3.44Å
261	Y	98.9	Very high	97.9	Very high	51 Å²	51	56.5 Å²	56.5	20%	0.2	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.3	170.6	-60.1	-96.9	0	0	0	110.4	H216 R218 T259 L291 I292 E293	H216-Y261 PolarHBondContact N-O 2.89Å; H216-Y261 PolarHBondContact O-N 3.22Å; R218-Y261 HydrophobicContact CB-CD2 4.43Å; R218-Y261 HydrophobicContact CB-CE2 4.08Å; R218-Y261 HydrophobicContact CG-CD2 3.91Å; R218-Y261 HydrophobicContact CG-CE2 3.91Å; T259-Y261 HydrophobicContact CG2-CD2 4.13Å; T259-Y261 HydrophobicContact CG2-CE1 4.39Å; T259-Y261 HydrophobicContact CG2-CE2 3.4Å; T259-Y261 VanDerWaalsContact CG2-CE2 3.4Å; T259-Y261 WeakPolarHBondContact O-CD2 3.36Å; Y261-L291 HydrophobicContact CD1-CB 3.84Å; Y261-L291 HydrophobicContact CG-CB 4.15Å; Y261-L291 HydrophobicContact CG-CD1 4.43Å; Y261-I292 CarbonylContact C-O 3.58Å; Y261-I292 WeakPolarHBondContact CA-O 3.4Å; Y261-E293 HydrophobicContact CD1-CB 3.87Å; Y261-E293 HydrophobicContact CE1-CB 3.67Å; Y261-E293 HydrophobicContact CE1-CG 4.1Å
262	I	98.9	Very high	97.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.5	169	59.6	175.9	0	0	0	111.3	I72 Y75 M203 V213 K214 F215 M260 V264 I292 V294	I72-I262 HydrophobicContact CD1-CD1 4.1Å; I72-I262 HydrophobicContact CG2-CD1 4.22Å; Y75-I262 HydrophobicContact CD2-CD1 4.39Å; M203-I262 HydrophobicContact CE-CG2 4.36Å; V213-I262 HydrophobicContact CG2-CB 3.65Å; V213-I262 HydrophobicContact CG2-CD1 4.38Å; V213-I262 HydrophobicContact CG2-CG2 3.68Å; K214-I262 CarbonylContact O-C 3.52Å; K214-I262 WeakPolarHBondContact O-CA 3.4Å; F215-I262 HydrophobicContact CD1-CG2 3.65Å; F215-I262 HydrophobicContact CE1-CG2 3.93Å; M260-I262 HydrophobicContact CE-CG2 4.22Å; I262-V264 HydrophobicContact CD1-CG2 3.72Å; I262-V264 HydrophobicContact CG1-CG2 4.07Å; I262-I292 HydrophobicContact CG1-CB 3.99Å; I262-I292 PolarHBondContact N-O 3.4Å; I262-I292 PolarHBondContact O-N 3.44Å; I262-V294 HydrophobicContact CB-CG2 4.31Å; I262-V294 HydrophobicContact CD1-CG2 4.11Å; I262-V294 HydrophobicContact CG1-CG2 3.83Å; I262-V294 HydrophobicContact CG2-CG2 3.82Å
263	Q	98.9	Very high	97.5	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.014	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	142.8	156.1	-60.2	179.6	-86.3	0	0	108.1	V213 K214 H216 W284 Y289 L291	V213-Q263 VanDerWaalsContact CA-O 3.3Å; V213-Q263 WeakPolarHBondContact CA-O 3.2Å; V213-Q263 WeakPolarHBondContact CG2-O 3.2Å; K214-Q263 HydrophobicContact CB-CB 4.26Å; K214-Q263 PolarHBondContact N-O 3.38Å; K214-Q263 VanDerWaalsContact N-O 3.13Å; K214-Q263 PolarHBondContact O-N 2.84Å; H216-Q263 PolarHBondContact CE1-OE1 3.35Å; H216-Q263 VanDerWaalsContact CE1-OE1 3.28Å; H216-Q263 PolarHBondContact NE2-OE1 3.49Å; Q263-W284 HydrophobicContact CB-CE3 3.76Å; Q263-W284 HydrophobicContact CB-CZ3 4.17Å; Q263-W284 PolarHBondContact NE2-O 3.48Å; Q263-Y289 WeakPolarHBondContact CG-O 3.24Å; Q263-Y289 PolarHBondContact NE2-O 3.24Å; Q263-L291 HydrophobicContact CG-CD2 3.74Å
264	V	98.7	Very high	97.2	Very high	21 Å²	21	54.6 Å²	54.6	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.6	-176.9	178.6	0	0	0	0	109.8	Y75 V211 W212 I262 Y289 I292	Y75-V264 HydrophobicContact CD1-CG1 4Å; Y75-V264 HydrophobicContact CD2-CG2 4.17Å; Y75-V264 HydrophobicContact CE1-CG1 3.86Å; Y75-V264 HydrophobicContact CE2-CG2 4.1Å; Y75-V264 HydrophobicContact CG-CG2 4.45Å; V211-V264 HydrophobicContact CB-CG1 3.73Å; V211-V264 HydrophobicContact CG1-CG1 3.94Å; V211-V264 HydrophobicContact CG2-CG1 3.83Å; W212-V264 WeakPolarHBondContact O-CA 3.39Å; I262-V264 HydrophobicContact CD1-CG2 3.72Å; I262-V264 HydrophobicContact CG1-CG2 4.07Å; V264-Y289 WeakPolarHBondContact O-CD1 3.33Å; V264-I292 HydrophobicContact CB-CD1 4.4Å; V264-I292 HydrophobicContact CG2-CD1 4Å
265	M	98.4	Very high	96.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	131.4	176.6	-179.9	-169.1	-68.7	0	0	109.2	W212 Q269 A270 P277 W284 Y289	W212-M265 HydrophobicContact CB-CB 4.29Å; W212-M265 PolarHBondContact N-O 3.22Å; W212-M265 PolarHBondContact O-N 3.35Å; M265-Q269 HydrophobicContact CG-CB 3.64Å; M265-A270 HydrophobicContact CG-CB 4.39Å; M265-A270 HydrophobicContact SD-CB 3.7Å; M265-P277 HydrophobicContact CE-CB 3.92Å; M265-P277 HydrophobicContact SD-CB 3.72Å; M265-P277 HydrophobicContact SD-CG 4.35Å; M265-W284 HydrophobicContact CB-CE3 4.22Å; M265-W284 HydrophobicContact CB-CH2 3.72Å; M265-W284 HydrophobicContact CB-CZ2 4.3Å; M265-W284 HydrophobicContact CB-CZ3 3.67Å; M265-W284 HydrophobicContact CE-CD2 3.61Å; M265-W284 VanDerWaalsContact CE-CE2 3.48Å; M265-W284 HydrophobicContact CE-CE3 4.11Å; M265-W284 HydrophobicContact CE-CG 3.91Å; M265-W284 HydrophobicContact CE-CH2 4.37Å; M265-W284 HydrophobicContact CE-CZ2 3.88Å; M265-W284 HydrophobicContact CE-CZ3 4.47Å; M265-W284 HydrophobicContact SD-CH2 4.45Å; M265-W284 HydrophobicContact SD-CZ2 4.1Å; M265-Y289 HydrophobicContact CB-CD1 4.09Å; M265-Y289 HydrophobicContact CB-CE1 3.78Å; M265-Y289 HydrophobicContact CE-CD2 4.21Å; M265-Y289 HydrophobicContact CE-CE1 3.93Å; M265-Y289 HydrophobicContact CE-CE2 3.57Å; M265-Y289 VanDerWaalsContact CE-CZ 3.42Å; M265-Y289 HydrophobicContact CG-CD1 4.47Å; M265-Y289 HydrophobicContact CG-CE1 3.67Å
266	T	97.2	Very high	96.6	Very high	56 Å²	56	48.5 Å²	48.5	34%	0.344	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	161.4	177.2	60.4	0	0	0	0	111.9	E268 Q269 A270	T266-E268 VanDerWaalsContact C-N 3.26Å; T266-E268 PolarHBondContact O-N 2.95Å; T266-Q269 PolarHBondContact O-N 3.33Å; T266-Q269 WeakPolarHBondContact OG1-CB 3.4Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.43Å; T266-Q269 PolarHBondContact OG1-N 3.35Å; T266-Q269 VanDerWaalsContact OG1-N 3.13Å; T266-Q269 PolarHBondContact OG1-OE1 2.74Å; T266-A270 PolarHBondContact O-N 2.99Å
267	E	94.9	Very high	96.5	Very high	68 Å²	68	49 Å²	49	32%	0.318	24%	0.236	S	C	.	.	H	α-helix	trans	-58.1	-38.9	173.7	-72.2	-173.6	139.9	0	0	112.2	R210 W212 A270 K271	R210-E267 HydrophobicContact CB-CG 4.33Å; R210-E267 WeakPolarHBondContact CD-OE1 3.43Å; R210-E267 HydrophobicContact CG-CG 4.39Å; R210-E267 IonicContact CZ-OE1 3.81Å; R210-E267 IonicContact NH1-OE1 3.42Å; R210-E267 PolarHBondContact NH1-OE1 2.91Å; W212-E267 HydrophobicContact CZ2-CG 4.17Å; E267-A270 PolarHBondContact O-N 2.74Å; E267-K271 PolarHBondContact O-N 3.08Å; E267-K271 VanDerWaalsContact O-N 3.08Å
268	E	95.1	Very high	96.5	Very high	148 Å²	148	48 Å²	48	69%	0.692	23%	0.232	S	C	*	.	H	α-helix	trans	-66.1	-42.6	176.5	-176.8	175.8	-166.9	0	0	112.3	T266 K271 N272	T266-E268 VanDerWaalsContact C-N 3.26Å; T266-E268 PolarHBondContact O-N 2.95Å; E268-K271 PolarHBondContact O-N 2.92Å; E268-N272 PolarHBondContact O-N 3.28Å; E268-N272 PolarHBondContact O-ND2 3.23Å
269	Q	97.3	Very high	96.5	Very high	81 Å²	81	48.1 Å²	48.1	38%	0.379	23%	0.232	S	C	.	.	H	α-helix	trans	-62.2	-43.5	175.7	-77.1	167.5	-43.1	0	0	111.4	M265 T266 K271 N272 H273	M265-Q269 HydrophobicContact CG-CB 3.64Å; T266-Q269 PolarHBondContact O-N 3.33Å; T266-Q269 WeakPolarHBondContact OG1-CB 3.4Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.43Å; T266-Q269 PolarHBondContact OG1-N 3.35Å; T266-Q269 VanDerWaalsContact OG1-N 3.13Å; T266-Q269 PolarHBondContact OG1-OE1 2.74Å; Q269-K271 VanDerWaalsContact C-N 3.33Å; Q269-K271 PolarHBondContact O-N 2.97Å; Q269-N272 CarbonylContact O-C 3.47Å; Q269-N272 PolarHBondContact O-N 2.97Å; Q269-H273 WeakPolarHBondContact O-CB 3.25Å; Q269-H273 PolarHBondContact O-N 3.06Å
270	A	95.9	Very high	96.4	Very high	10 Å²	10	47.5 Å²	47.5	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-39.6	177.9	0	0	0	0	0	112.7	W212 M265 T266 E267 N272 H273 P277 F278	W212-A270 HydrophobicContact CG-CB 4.46Å; W212-A270 VanDerWaalsContact NE1-CB 3.3Å; M265-A270 HydrophobicContact CG-CB 4.39Å; M265-A270 HydrophobicContact SD-CB 3.7Å; T266-A270 PolarHBondContact O-N 2.99Å; E267-A270 PolarHBondContact O-N 2.74Å; A270-N272 VanDerWaalsContact C-N 3.26Å; A270-N272 PolarHBondContact O-N 2.91Å; A270-H273 PolarHBondContact O-N 3.44Å; A270-P277 HydrophobicContact CB-CG 3.89Å; A270-F278 HydrophobicContact CB-CZ 4.2Å
271	K	93.5	Very high	96.4	Very high	181 Å²	181	47.8 Å²	47.8	79%	0.787	23%	0.23	S	C	*	.	H	α-helix	trans	-64.1	-31.1	177.7	-176.4	175.4	178.9	178.5	0	113	E267 E268 Q269	E267-K271 PolarHBondContact O-N 3.08Å; E267-K271 VanDerWaalsContact O-N 3.08Å; E268-K271 PolarHBondContact O-N 2.92Å; Q269-K271 VanDerWaalsContact C-N 3.33Å; Q269-K271 PolarHBondContact O-N 2.97Å
272	N	94.6	Very high	96.4	Very high	116 Å²	116	45.8 Å²	45.8	62%	0.62	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.6	7.9	-177.6	-60.9	-63.8	0	0	0	112.9	E268 Q269 A270	E268-N272 PolarHBondContact O-N 3.28Å; E268-N272 PolarHBondContact O-ND2 3.23Å; Q269-N272 CarbonylContact O-C 3.47Å; Q269-N272 PolarHBondContact O-N 2.97Å; A270-N272 VanDerWaalsContact C-N 3.26Å; A270-N272 PolarHBondContact O-N 2.91Å
273	H	94.4	Very high	96.4	Very high	34 Å²	34	47.6 Å²	47.6	16%	0.157	23%	0.234	C	C	.	.			trans	-69.7	140.4	-178.9	-164.8	-85.8	0	0	0	109.8	Q269 A270 D275 P277 Y289	Q269-H273 WeakPolarHBondContact O-CB 3.25Å; Q269-H273 PolarHBondContact O-N 3.06Å; A270-H273 PolarHBondContact O-N 3.44Å; H273-D275 PolarHBondContact ND1-N 3.25Å; H273-D275 PolarHBondContact ND1-O 2.83Å; H273-P277 HydrophobicContact CB-CB 4.5Å; H273-P277 HydrophobicContact CB-CG 4.37Å; H273-Y289 PolarHBondContact CD2-OH 3.08Å; H273-Y289 AromaticContact NE2-CE2 3.91Å
274	K	91.7	Very high	96.4	Very high	124 Å²	124	47.7 Å²	47.7	54%	0.539	23%	0.234	S	C	.	.	S	Bend	trans	-66.5	-39.3	-174.9	64.4	169.7	-164.2	155.4	0	113.2	E428	K274-E428 IonicContact NZ-OE1 3.37Å; K274-E428 PolarHBondContact NZ-OE1 2.69Å; K274-E428 VanDerWaalsContact NZ-OE1 3.15Å; K274-E428 IonicContact NZ-OE2 3.95Å; K274-E428 PolarHBondContact NZ-OE2 3.43Å
275	D	91.2	Very high	96.4	Very high	16 Å²	16	48.5 Å²	48.5	9%	0.086	24%	0.235	C	C	.	.	S	Bend	trans	-104.3	163.1	176.2	-56	-49.9	0	0	0	108.8	H273 P277 K282 N425	H273-D275 PolarHBondContact ND1-N 3.25Å; H273-D275 PolarHBondContact ND1-O 2.83Å; D275-P277 WeakPolarHBondContact O-CD 3.41Å; D275-P277 VanDerWaalsContact O-N 3.15Å; D275-K282 HydrophobicContact CB-CD 3.84Å; D275-N425 PolarHBondContact OD1-ND2 3.21Å
276	N	94.9	Very high	96.4	Very high	35 Å²	35	53 Å²	53	19%	0.187	26%	0.256	C	S	.	.			trans	-67.2	112.5	174.8	-176.6	-22.1	0	0	0	111.1	F278 D279 D422 D423	N276-F278 PolarHBondContact O-N 2.98Å; N276-F278 VanDerWaalsContact O-N 3.1Å; N276-F278 WeakPolarHBondContact OD1-CA 3.47Å; N276-F278 WeakPolarHBondContact OD1-CB 3.19Å; N276-F278 PolarHBondContact OD1-N 3.39Å; N276-D279 HydrophobicContact CB-CB 4.07Å; N276-D279 WeakPolarHBondContact O-CB 3.21Å; N276-D279 PolarHBondContact O-N 3.22Å; N276-D279 VanDerWaalsContact O-N 3.15Å; N276-D279 PolarHBondContact OD1-N 2.9Å; N276-D422 PolarHBondContact ND2-OD2 3.17Å; N276-D423 HydrophobicContact CB-CB 4.5Å; N276-D423 PolarHBondContact N-OD2 3.36Å; N276-D423 VanDerWaalsContact N-OD2 3.15Å
277	P	97.1	Very high	96.3	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.071	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-4.7	-175.6	32.1	-35.8	0	0	0	113.2	T200 M265 A270 H273 D275 W284	T200-P277 PolarHBondContact OG1-O 3.33Å; M265-P277 HydrophobicContact CE-CB 3.92Å; M265-P277 HydrophobicContact SD-CB 3.72Å; M265-P277 HydrophobicContact SD-CG 4.35Å; A270-P277 HydrophobicContact CB-CG 3.89Å; H273-P277 HydrophobicContact CB-CB 4.5Å; H273-P277 HydrophobicContact CB-CG 4.37Å; D275-P277 WeakPolarHBondContact O-CD 3.41Å; D275-P277 VanDerWaalsContact O-N 3.15Å; P277-W284 PolarHBondContact O-NE1 3.02Å; P277-W284 VanDerWaalsContact O-NE1 3.12Å
278	F	97.7	Very high	96.5	Very high	36 Å²	36	58 Å²	58	16%	0.158	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	5	177.8	-47.5	-69.1	0	0	0	112.7	T200 W212 A270 N276 L280 P328 D329	T200-F278 HydrophobicContact CG2-CD1 3.74Å; T200-F278 HydrophobicContact CG2-CE1 3.82Å; W212-F278 AromaticContact CD2-CE1 3.7Å; W212-F278 HydrophobicContact CD2-CE1 3.7Å; W212-F278 AromaticContact CD2-CZ 3.99Å; W212-F278 HydrophobicContact CD2-CZ 3.99Å; W212-F278 AromaticContact CE2-CE1 3.92Å; W212-F278 AromaticContact CE2-CZ 3.7Å; W212-F278 AromaticContact CE3-CE1 3.85Å; W212-F278 HydrophobicContact CE3-CE1 3.85Å; W212-F278 HydrophobicContact CE3-CZ 4.44Å; W212-F278 HydrophobicContact CG-CE1 4.14Å; W212-F278 HydrophobicContact CG-CZ 4.44Å; W212-F278 HydrophobicContact CH2-CE1 4.47Å; W212-F278 HydrophobicContact CH2-CZ 4.44Å; W212-F278 HydrophobicContact CZ2-CE1 4.31Å; W212-F278 AromaticContact CZ2-CZ 3.96Å; W212-F278 HydrophobicContact CZ2-CZ 3.96Å; W212-F278 HydrophobicContact CZ3-CE1 4.25Å; W212-F278 AromaticContact NE1-CZ 3.93Å; A270-F278 HydrophobicContact CB-CZ 4.2Å; N276-F278 PolarHBondContact O-N 2.98Å; N276-F278 VanDerWaalsContact O-N 3.1Å; N276-F278 WeakPolarHBondContact OD1-CA 3.47Å; N276-F278 WeakPolarHBondContact OD1-CB 3.19Å; N276-F278 PolarHBondContact OD1-N 3.39Å; F278-L280 PolarHBondContact O-N 3.24Å; F278-P328 HydrophobicContact CD1-CG 3.94Å; F278-P328 HydrophobicContact CD2-CG 3.72Å; F278-P328 HydrophobicContact CE1-CG 3.95Å; F278-P328 HydrophobicContact CE2-CG 3.71Å; F278-P328 HydrophobicContact CG-CG 3.83Å; F278-P328 HydrophobicContact CZ-CG 3.83Å; F278-D329 HydrophobicContact CB-CB 4.1Å; F278-D329 WeakPolarHBondContact O-CB 3.36Å; F278-D329 VanDerWaalsContact O-CG 3.24Å
279	D	98.4	Very high	96.6	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.011	25%	0.25	C	S	.	.			trans	-75.5	113.6	173.4	-174.3	-18.9	0	0	0	110.4	R137 N276 T281 K282	R137-D279 WeakPolarHBondContact CB-OD1 3.48Å; R137-D279 VanDerWaalsContact CD-CG 3.48Å; R137-D279 WeakPolarHBondContact CD-OD1 3.38Å; R137-D279 WeakPolarHBondContact CD-OD2 3.43Å; R137-D279 IonicContact CZ-OD2 2.77Å; R137-D279 IonicContact NE-OD2 3.65Å; R137-D279 IonicContact NH1-OD2 2.59Å; R137-D279 PolarHBondContact NH1-OD2 3.1Å; N276-D279 HydrophobicContact CB-CB 4.07Å; N276-D279 WeakPolarHBondContact O-CB 3.21Å; N276-D279 PolarHBondContact O-N 3.22Å; N276-D279 VanDerWaalsContact O-N 3.15Å; N276-D279 PolarHBondContact OD1-N 2.9Å; D279-T281 PolarHBondContact O-N 3.06Å; D279-T281 VanDerWaalsContact O-N 3.13Å; D279-T281 WeakPolarHBondContact OD1-CB 3.48Å; D279-T281 PolarHBondContact OD1-N 3.24Å; D279-T281 PolarHBondContact OD1-OG1 3.03Å; D279-T281 PolarHBondContact OD2-OG1 3.32Å; D279-K282 HydrophobicContact CB-CB 4.45Å; D279-K282 HydrophobicContact CB-CD 4.48Å; D279-K282 HydrophobicContact CB-CG 4.31Å; D279-K282 PolarHBondContact O-N 3.4Å; D279-K282 IonicContact OD2-NZ 2.77Å; D279-K282 PolarHBondContact OD2-NZ 2.89Å
280	L	98.7	Very high	96.7	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.7	-179.9	-170.9	60.4	0	0	0	113.8	V133 F134 H199 F278 K282 M331	V133-L280 CarbonylContact C-O 3.54Å; V133-L280 WeakPolarHBondContact CA-O 3.27Å; V133-L280 VanDerWaalsContact CB-O 3.23Å; V133-L280 WeakPolarHBondContact CB-O 3.25Å; F134-L280 HydrophobicContact CB-CD2 3.46Å; F134-L280 VanDerWaalsContact CB-CD2 3.46Å; F134-L280 HydrophobicContact CB-CG 3.66Å; F134-L280 HydrophobicContact CD1-CD2 4.47Å; F134-L280 HydrophobicContact CG-CD2 4.21Å; F134-L280 PolarHBondContact N-O 3.1Å; H199-L280 WeakPolarHBondContact CE1-CD2 3.44Å; F278-L280 PolarHBondContact O-N 3.24Å; L280-K282 VanDerWaalsContact C-N 3.26Å; L280-M331 HydrophobicContact CB-CB 4.4Å; L280-M331 HydrophobicContact CB-CG 4.3Å; L280-M331 HydrophobicContact CD2-CB 3.62Å; L280-M331 HydrophobicContact CD2-CE 3.96Å; L280-M331 HydrophobicContact CD2-CG 3.79Å
281	T	98.7	Very high	96.8	Very high	7 Å²	7	53.7 Å²	53.7	4%	0.043	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.5	174.9	70.8	0	0	0	0	112.6	R137 E172 H175 D279	R137-T281 HydrophobicContact CB-CG2 4.27Å; E172-T281 HydrophobicContact CB-CG2 4.1Å; E172-T281 HydrophobicContact CG-CG2 4.38Å; E172-T281 WeakPolarHBondContact O-CG2 3.36Å; H175-T281 PolarHBondContact ND1-O 3.23Å; D279-T281 PolarHBondContact O-N 3.06Å; D279-T281 VanDerWaalsContact O-N 3.13Å; D279-T281 WeakPolarHBondContact OD1-CB 3.48Å; D279-T281 PolarHBondContact OD1-N 3.24Å; D279-T281 PolarHBondContact OD1-OG1 3.03Å; D279-T281 PolarHBondContact OD2-OG1 3.32Å
282	K	98.7	Very high	97.1	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.039	24%	0.241	C	C	.	.			trans	-120.5	144.1	-175.8	-62.2	-167.1	179.2	82.4	0	113.5	D275 D279 L280 D423 N425	D275-K282 HydrophobicContact CB-CD 3.84Å; D279-K282 HydrophobicContact CB-CB 4.45Å; D279-K282 HydrophobicContact CB-CD 4.48Å; D279-K282 HydrophobicContact CB-CG 4.31Å; D279-K282 PolarHBondContact O-N 3.4Å; D279-K282 IonicContact OD2-NZ 2.77Å; D279-K282 PolarHBondContact OD2-NZ 2.89Å; L280-K282 VanDerWaalsContact C-N 3.26Å; K282-D423 WeakPolarHBondContact CE-OD1 3.43Å; K282-D423 WeakPolarHBondContact CE-OD2 3.44Å; K282-D423 IonicContact NZ-OD1 2.78Å; K282-D423 PolarHBondContact NZ-OD1 3.19Å; K282-D423 IonicContact NZ-OD2 2.73Å; K282-D423 PolarHBondContact NZ-OD2 3.37Å; K282-N425 VanDerWaalsContact CE-O 3.26Å; K282-N425 WeakPolarHBondContact CE-O 3.39Å
283	V	98.7	Very high	97.3	Very high	38 Å²	38	45 Å²	45	23%	0.23	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-96.4	160	168	-55.3	0	0	0	0	111	P132 V133 Q429	P132-V283 HydrophobicContact CB-CG1 3.83Å; P132-V283 HydrophobicContact CG-CG1 3.72Å; V133-V283 HydrophobicContact CG1-CG1 3.58Å; V283-Q429 PolarHBondContact O-NE2 2.97Å
284	W	98.5	Very high	97.5	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.019	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-90.2	125.8	163.7	-56.9	-12.9	0	0	0	108.1	T200 W212 K214 Q263 M265 P277 H286 Y289	T200-W284 HydrophobicContact CG2-CH2 3.85Å; T200-W284 HydrophobicContact CG2-CZ2 3.51Å; T200-W284 WeakPolarHBondContact OG1-CZ2 3.44Å; W212-W284 HydrophobicContact CB-CH2 3.67Å; W212-W284 HydrophobicContact CB-CZ2 4.22Å; K214-W284 HydrophobicContact CB-CE3 4.38Å; K214-W284 HydrophobicContact CB-CZ3 4.41Å; K214-W284 HydrophobicContact CG-CD2 3.68Å; K214-W284 HydrophobicContact CG-CE3 3.62Å; K214-W284 HydrophobicContact CG-CG 4.35Å; K214-W284 HydrophobicContact CG-CH2 4Å; K214-W284 HydrophobicContact CG-CZ2 4.08Å; K214-W284 HydrophobicContact CG-CZ3 3.78Å; Q263-W284 HydrophobicContact CB-CE3 3.76Å; Q263-W284 HydrophobicContact CB-CZ3 4.17Å; Q263-W284 PolarHBondContact NE2-O 3.48Å; M265-W284 HydrophobicContact CB-CE3 4.22Å; M265-W284 HydrophobicContact CB-CH2 3.72Å; M265-W284 HydrophobicContact CB-CZ2 4.3Å; M265-W284 HydrophobicContact CB-CZ3 3.67Å; M265-W284 HydrophobicContact CE-CD2 3.61Å; M265-W284 VanDerWaalsContact CE-CE2 3.48Å; M265-W284 HydrophobicContact CE-CE3 4.11Å; M265-W284 HydrophobicContact CE-CG 3.91Å; M265-W284 HydrophobicContact CE-CH2 4.37Å; M265-W284 HydrophobicContact CE-CZ2 3.88Å; M265-W284 HydrophobicContact CE-CZ3 4.47Å; M265-W284 HydrophobicContact SD-CH2 4.45Å; M265-W284 HydrophobicContact SD-CZ2 4.1Å; P277-W284 PolarHBondContact O-NE1 3.02Å; P277-W284 VanDerWaalsContact O-NE1 3.12Å; W284-H286 PolarHBondContact O-N 3.26Å; W284-Y289 HydrophobicContact CB-CD2 3.87Å; W284-Y289 HydrophobicContact CB-CG 4.4Å; W284-Y289 HydrophobicContact CG-CD2 4.48Å
285	Y	98.1	Very high	97.8	Very high	38 Å²	38	37.5 Å²	37.5	15%	0.149	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-65.2	138.3	-177.5	-61.5	-66.7	0	0	0	111.1	D287 E288 Y289 E428 K432	Y285-D287 VanDerWaalsContact C-N 3.27Å; Y285-D287 WeakPolarHBondContact CB-OD1 3.25Å; Y285-D287 PolarHBondContact O-N 2.93Å; Y285-E288 PolarHBondContact O-N 3.01Å; Y285-Y289 PolarHBondContact O-N 2.75Å; Y285-E428 PolarHBondContact OH-OE1 3.1Å; Y285-K432 HydrophobicContact CE1-CD 3.95Å; Y285-K432 WeakPolarHBondContact OH-CD 3.22Å; Y285-K432 WeakPolarHBondContact OH-CE 3.42Å; Y285-K432 PolarHBondContact OH-NZ 2.96Å; Y285-K432 VanDerWaalsContact OH-NZ 3.08Å
286	H	98.1	Very high	98.2	Very high	95 Å²	95	39.5 Å²	39.5	44%	0.44	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.1	-174.5	-69	163.3	0	0	0	113.7	W284 Y289 P290	W284-H286 PolarHBondContact O-N 3.26Å; H286-Y289 CarbonylContact O-C 3.37Å; H286-P290 VanDerWaalsContact O-CA 3.24Å; H286-P290 WeakPolarHBondContact O-CA 3.36Å
287	D	97	Very high	98.4	Very high	137 Å²	137	38 Å²	38	73%	0.733	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-33.9	174.7	56.3	-16.2	0	0	0	112	Y285	Y285-D287 VanDerWaalsContact C-N 3.27Å; Y285-D287 WeakPolarHBondContact CB-OD1 3.25Å; Y285-D287 PolarHBondContact O-N 2.93Å
288	E	97.3	Very high	98.5	Very high	91 Å²	91	39.6 Å²	39.6	43%	0.425	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-41.1	173.6	-64.2	179.3	-155.5	0	0	112.2	Y285	Y285-E288 PolarHBondContact O-N 3.01Å
289	Y	98.4	Very high	98.5	Very high	19 Å²	19	37.9 Å²	37.9	8%	0.075	19%	0.192	C	C	.	.	S	Bend	trans	-129.1	85.2	-178	-57.2	-81	0	0	0	110.4	Q263 V264 M265 H273 W284 Y285 H286	Q263-Y289 WeakPolarHBondContact CG-O 3.24Å; Q263-Y289 PolarHBondContact NE2-O 3.24Å; V264-Y289 WeakPolarHBondContact O-CD1 3.33Å; M265-Y289 HydrophobicContact CB-CD1 4.09Å; M265-Y289 HydrophobicContact CB-CE1 3.78Å; M265-Y289 HydrophobicContact CE-CD2 4.21Å; M265-Y289 HydrophobicContact CE-CE1 3.93Å; M265-Y289 HydrophobicContact CE-CE2 3.57Å; M265-Y289 VanDerWaalsContact CE-CZ 3.42Å; M265-Y289 HydrophobicContact CG-CD1 4.47Å; M265-Y289 HydrophobicContact CG-CE1 3.67Å; H273-Y289 PolarHBondContact CD2-OH 3.08Å; H273-Y289 AromaticContact NE2-CE2 3.91Å; W284-Y289 HydrophobicContact CB-CD2 3.87Å; W284-Y289 HydrophobicContact CB-CG 4.4Å; W284-Y289 HydrophobicContact CG-CD2 4.48Å; Y285-Y289 PolarHBondContact O-N 2.75Å; H286-Y289 CarbonylContact O-C 3.37Å
290	P	98.6	Very high	98.5	Very high	82 Å²	82	40 Å²	40	53%	0.532	20%	0.203	S	C	.	.			trans	-61.9	150.9	-176.6	-24.8	34.9	0	0	0	113.7	H286 I292	H286-P290 VanDerWaalsContact O-CA 3.24Å; H286-P290 WeakPolarHBondContact O-CA 3.36Å; P290-I292 PolarHBondContact O-N 3.1Å
291	L	98.8	Very high	98.6	Very high	48 Å²	48	44.7 Å²	44.7	25%	0.251	22%	0.22	S	C	.	.			trans	-68.6	126.9	173	-66	179.1	0	0	0	110.6	H216 Y261 Q263	H216-L291 HydrophobicContact CB-CD2 4.31Å; Y261-L291 HydrophobicContact CD1-CB 3.84Å; Y261-L291 HydrophobicContact CG-CB 4.15Å; Y261-L291 HydrophobicContact CG-CD1 4.43Å; Q263-L291 HydrophobicContact CG-CD2 3.74Å
292	I	98.8	Very high	98.6	Very high	53 Å²	53	44.9 Å²	44.9	27%	0.272	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118	174.7	-57.2	169.2	0	0	0	107.2	I72 Y75 Y261 I262 V264 P290	I72-I292 HydrophobicContact CG2-CG2 4.35Å; Y75-I292 HydrophobicContact CE2-CD1 4.03Å; Y261-I292 CarbonylContact C-O 3.58Å; Y261-I292 WeakPolarHBondContact CA-O 3.4Å; I262-I292 HydrophobicContact CG1-CB 3.99Å; I262-I292 PolarHBondContact N-O 3.4Å; I262-I292 PolarHBondContact O-N 3.44Å; V264-I292 HydrophobicContact CB-CD1 4.4Å; V264-I292 HydrophobicContact CG2-CD1 4Å; P290-I292 PolarHBondContact O-N 3.1Å
293	E	98.9	Very high	98.6	Very high	62 Å²	62	45.4 Å²	45.4	29%	0.29	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	142.4	176.7	-173.6	-175.2	132.9	0	0	110.6	T69 K70 T259 Y261	T69-E293 PolarHBondContact OG1-OE1 3Å; K70-E293 WeakPolarHBondContact CB-O 3.43Å; K70-E293 WeakPolarHBondContact CE-OE1 3.48Å; K70-E293 HydrophobicContact CG-CB 3.9Å; K70-E293 HydrophobicContact CG-CG 3.97Å; K70-E293 WeakPolarHBondContact CG-O 3.43Å; T259-E293 HydrophobicContact CG2-CG 3.84Å; Y261-E293 HydrophobicContact CD1-CB 3.87Å; Y261-E293 HydrophobicContact CE1-CB 3.67Å; Y261-E293 HydrophobicContact CE1-CG 4.1Å
294	V	98.9	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-49.9	-179.9	-176.5	0	0	0	0	111.4	F66 T69 K70 I72 F81 M260 I262	F66-V294 HydrophobicContact CZ-CG1 4.33Å; T69-V294 PolarHBondContact N-O 2.91Å; K70-V294 PolarHBondContact N-O 3.44Å; I72-V294 HydrophobicContact CD1-CB 4.47Å; I72-V294 HydrophobicContact CD1-CG1 3.62Å; I72-V294 HydrophobicContact CD1-CG2 4.05Å; I72-V294 HydrophobicContact CG1-CG1 4.14Å; I72-V294 HydrophobicContact CG2-CG2 4.14Å; F81-V294 HydrophobicContact CD1-CG1 3.63Å; F81-V294 HydrophobicContact CE1-CG1 3.72Å; F81-V294 HydrophobicContact CG-CG1 4.34Å; F81-V294 HydrophobicContact CZ-CG1 4.48Å; M260-V294 HydrophobicContact CB-CB 4.43Å; M260-V294 HydrophobicContact CE-CG1 4.41Å; M260-V294 HydrophobicContact CE-CG2 4.47Å; M260-V294 HydrophobicContact CG-CB 4.11Å; M260-V294 HydrophobicContact CG-CG2 4.4Å; M260-V294 PolarHBondContact O-N 3.43Å; M260-V294 HydrophobicContact SD-CB 4.11Å; M260-V294 HydrophobicContact SD-CG1 4.06Å; I262-V294 HydrophobicContact CB-CG2 4.31Å; I262-V294 HydrophobicContact CD1-CG2 4.11Å; I262-V294 HydrophobicContact CG1-CG2 3.83Å; I262-V294 HydrophobicContact CG2-CG2 3.82Å
295	G	98.8	Very high	98.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.1	-169.8	-171.5	0	0	0	0	0	111.6	T67 T69 M260	T67-G295 CarbonylContact O-C 3.5Å; T67-G295 WeakPolarHBondContact O-CA 3.34Å; T69-G295 WeakPolarHBondContact OG1-CA 3.24Å; T69-G295 PolarHBondContact OG1-N 3.46Å; M260-G295 PolarHBondContact N-O 3.44Å
296	E	98.9	Very high	98.6	Very high	58 Å²	58	57.3 Å²	57.3	27%	0.271	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	154.7	172.7	62.5	175.3	-153.6	0	0	110.7	F66 T67 T69 Q220 W258	F66-E296 CarbonylContact C-O 3.55Å; F66-E296 WeakPolarHBondContact CA-O 3.25Å; F66-E296 WeakPolarHBondContact CD2-O 3.23Å; T67-E296 PolarHBondContact N-O 3.38Å; T67-E296 PolarHBondContact O-N 3.21Å; T69-E296 HydrophobicContact CG2-CG 4.24Å; Q220-E296 PolarHBondContact NE2-OE2 2.96Å; W258-E296 CarbonylContact O-C 3.49Å; W258-E296 WeakPolarHBondContact O-CA 3.48Å; W258-E296 WeakPolarHBondContact O-CB 3.44Å
297	F	98.9	Very high	98.6	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.7	166.8	74.4	-96.6	0	0	0	111.7	T65 F66 M90 F113 L115 F217 K257 W258 L299	T65-F297 VanDerWaalsContact O-CA 3.29Å; T65-F297 WeakPolarHBondContact O-CA 3.12Å; F66-F297 HydrophobicContact CB-CB 4.12Å; F66-F297 HydrophobicContact CD2-CB 4.17Å; M90-F297 HydrophobicContact CE-CD2 3.82Å; M90-F297 HydrophobicContact CE-CE2 4.08Å; M90-F297 HydrophobicContact CE-CG 4.09Å; M90-F297 HydrophobicContact SD-CB 3.41Å; M90-F297 WeakPolarHBondContact SD-CB 3.5Å; M90-F297 HydrophobicContact SD-CD1 4.33Å; M90-F297 HydrophobicContact SD-CD2 3.76Å; M90-F297 HydrophobicContact SD-CG 3.6Å; M90-F297 VanDerWaalsContact SD-CG 3.6Å; F113-F297 HydrophobicContact CE1-CE1 4.04Å; F113-F297 AromaticContact CE1-CZ 3.75Å; F113-F297 HydrophobicContact CE1-CZ 3.75Å; F113-F297 HydrophobicContact CZ-CE1 4.18Å; F113-F297 AromaticContact CZ-CZ 3.68Å; F113-F297 HydrophobicContact CZ-CZ 3.68Å; L115-F297 HydrophobicContact CD1-CE1 4.16Å; L115-F297 HydrophobicContact CD2-CZ 4.23Å; F217-F297 HydrophobicContact CB-CE1 4.46Å; F217-F297 HydrophobicContact CD1-CD1 4.05Å; F217-F297 AromaticContact CD1-CE1 3.6Å; F217-F297 HydrophobicContact CD1-CE1 3.6Å; F217-F297 HydrophobicContact CE1-CD1 4.38Å; F217-F297 HydrophobicContact CE1-CE1 4.2Å; F217-F297 HydrophobicContact CG-CE1 4.24Å; K257-F297 WeakPolarHBondContact CA-O 3.13Å; W258-F297 HydrophobicContact CB-CD1 4.05Å; W258-F297 HydrophobicContact CB-CE1 3.53Å; W258-F297 HydrophobicContact CB-CE2 4.45Å; W258-F297 HydrophobicContact CB-CZ 3.76Å; W258-F297 HydrophobicContact CD2-CE1 4.27Å; W258-F297 AromaticContact CD2-CE2 3.87Å; W258-F297 HydrophobicContact CD2-CE2 3.87Å; W258-F297 AromaticContact CD2-CZ 3.54Å; W258-F297 HydrophobicContact CD2-CZ 3.54Å; W258-F297 AromaticContact CE3-CD2 3.93Å; W258-F297 HydrophobicContact CE3-CD2 3.93Å; W258-F297 HydrophobicContact CE3-CE1 4.27Å; W258-F297 AromaticContact CE3-CE2 3.11Å; W258-F297 HydrophobicContact CE3-CE2 3.11Å; W258-F297 AromaticContact CE3-CZ 3.32Å; W258-F297 HydrophobicContact CE3-CZ 3.32Å; W258-F297 HydrophobicContact CG-CE1 4.01Å; W258-F297 HydrophobicContact CG-CE2 4.43Å; W258-F297 AromaticContact CG-CZ 3.75Å; W258-F297 HydrophobicContact CG-CZ 3.75Å; W258-F297 HydrophobicContact CZ3-CD2 4.5Å; W258-F297 AromaticContact CZ3-CE2 3.6Å; W258-F297 HydrophobicContact CZ3-CE2 3.6Å; W258-F297 HydrophobicContact CZ3-CZ 4.08Å; W258-F297 PolarHBondContact N-O 3.41Å; W258-F297 PolarHBondContact O-N 2.81Å; F297-L299 HydrophobicContact CD2-CD2 3.98Å; F297-L299 HydrophobicContact CD2-CG 4.19Å; F297-L299 HydrophobicContact CE2-CD1 4.35Å; F297-L299 HydrophobicContact CE2-CD2 3.96Å; F297-L299 HydrophobicContact CE2-CG 3.95Å
298	E	98.9	Very high	98.7	Very high	46 Å²	46	53.3 Å²	53.3	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.6	175.4	-179	-171.7	84.2	0	0	108.9	G64 T65 Y255 P256 K257 N300	G64-E298 CarbonylContact C-O 3.55Å; G64-E298 WeakPolarHBondContact CA-O 3.44Å; T65-E298 PolarHBondContact N-O 3.18Å; T65-E298 PolarHBondContact O-N 3.12Å; T65-E298 VanDerWaalsContact O-N 3.07Å; Y255-E298 VanDerWaalsContact CB-CG 3.44Å; Y255-E298 HydrophobicContact CD2-CG 4.38Å; Y255-E298 HydrophobicContact CG-CG 4.25Å; P256-E298 WeakPolarHBondContact O-CA 3.09Å; K257-E298 WeakPolarHBondContact CE-OE2 3.33Å; K257-E298 HydrophobicContact CG-CB 3.93Å; K257-E298 HydrophobicContact CG-CG 3.96Å; K257-E298 IonicContact NZ-OE2 2.74Å; K257-E298 PolarHBondContact NZ-OE2 2.81Å; E298-N300 HydrophobicContact CG-CB 4.29Å; E298-N300 WeakPolarHBondContact OE1-CB 3.39Å; E298-N300 PolarHBondContact OE1-ND2 3.12Å
299	L	98.9	Very high	98.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	117.1	170.4	-55.5	178.6	0	0	0	109.3	A62 F63 M90 A92 F94 L246 I250 Y255 P256 W258 F297	A62-L299 HydrophobicContact CB-CB 4.18Å; A62-L299 HydrophobicContact CB-CD1 4.27Å; F63-L299 CarbonylContact O-C 3.54Å; F63-L299 WeakPolarHBondContact O-CA 3.47Å; M90-L299 HydrophobicContact CE-CD2 4.03Å; A92-L299 HydrophobicContact CB-CD1 4.02Å; A92-L299 HydrophobicContact CB-CD2 3.81Å; F94-L299 HydrophobicContact CE2-CD1 3.51Å; F94-L299 HydrophobicContact CZ-CD1 3.71Å; L246-L299 HydrophobicContact CD1-CD1 4.5Å; I250-L299 HydrophobicContact CD1-CB 4.26Å; Y255-L299 WeakPolarHBondContact CB-O 3.46Å; P256-L299 WeakPolarHBondContact CD-O 3.16Å; P256-L299 HydrophobicContact CG-CB 4.12Å; P256-L299 PolarHBondContact O-N 3.02Å; W258-L299 HydrophobicContact CH2-CD1 4.21Å; W258-L299 HydrophobicContact CZ3-CD1 3.86Å; W258-L299 HydrophobicContact CZ3-CG 4.08Å; F297-L299 HydrophobicContact CD2-CD2 3.98Å; F297-L299 HydrophobicContact CD2-CG 4.19Å; F297-L299 HydrophobicContact CE2-CD1 4.35Å; F297-L299 HydrophobicContact CE2-CD2 3.96Å; F297-L299 HydrophobicContact CE2-CG 3.95Å
300	N	98.8	Very high	98.8	Very high	46 Å²	46	49 Å²	49	25%	0.246	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	7.1	-165.5	55.7	22.9	0	0	0	114.5	F63 Y255 E298	F63-N300 PolarHBondContact O-N 3.4Å; Y255-N300 HydrophobicContact CD1-CB 3.83Å; Y255-N300 HydrophobicContact CD2-CB 3.77Å; Y255-N300 HydrophobicContact CE1-CB 3.98Å; Y255-N300 HydrophobicContact CE2-CB 3.94Å; Y255-N300 HydrophobicContact CG-CB 3.73Å; E298-N300 HydrophobicContact CG-CB 4.29Å; E298-N300 WeakPolarHBondContact OE1-CB 3.39Å; E298-N300 PolarHBondContact OE1-ND2 3.12Å
301	R	98.8	Very high	98.8	Very high	102 Å²	102	45.3 Å²	45.3	39%	0.385	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	122.4	176.5	-176.3	171.7	62.5	75.2	-0.3	112.5	F63 E89	F63-R301 HydrophobicContact CB-CB 4.2Å; F63-R301 VanDerWaalsContact CD1-NH2 3.35Å; F63-R301 VanDerWaalsContact CD2-NH1 3.26Å; F63-R301 PolarHBondContact N-O 2.91Å; F63-R301 PolarHBondContact O-N 2.72Å; E89-R301 IonicContact OE1-NH2 3.52Å
302	N	98.8	Very high	98.8	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.064	22%	0.215	C	C	.	.			trans	-68.5	148.2	170.5	-75.6	-37.3	0	0	0	110.6	F247 E251	F247-N302 HydrophobicContact CD2-CB 4.16Å; F247-N302 WeakPolarHBondContact CD2-ND2 3.12Å; F247-N302 HydrophobicContact CE2-CB 4.04Å; F247-N302 PolarHBondContact O-ND2 2.98Å; E251-N302 PolarHBondContact OE1-ND2 2.76Å
303	P	98.6	Very high	98.8	Very high	19 Å²	19	42.4 Å²	42.4	12%	0.123	20%	0.202	C	C	.	.			trans	-68.9	139.6	170	-16.1	31.4	0	0	0	111.6	G61 F63 F91 N305 D309 V310	G61-P303 VanDerWaalsContact O-CD 3.26Å; G61-P303 WeakPolarHBondContact O-CD 3.49Å; G61-P303 WeakPolarHBondContact O-CG 3.41Å; F63-P303 HydrophobicContact CD2-CG 4.33Å; F63-P303 HydrophobicContact CE2-CB 4.04Å; F63-P303 HydrophobicContact CE2-CG 4.15Å; F91-P303 HydrophobicContact CE2-CG 4.18Å; P303-N305 PolarHBondContact O-N 3.38Å; P303-D309 HydrophobicContact CB-CB 3.65Å; P303-D309 HydrophobicContact CG-CB 4.3Å; P303-V310 HydrophobicContact CB-CG2 4.37Å; P303-V310 HydrophobicContact CG-CG2 3.73Å
304	D	98.2	Very high	98.8	Very high	157 Å²	157	39.6 Å²	39.6	84%	0.84	19%	0.19	S	C	*	.	S	Bend	trans	-68.1	-28	178.1	-67.4	-37	0	0	0	112
305	N	98.6	Very high	98.8	Very high	84 Å²	84	40.1 Å²	40.1	45%	0.449	19%	0.192	S	C	.	.			trans	-139.3	114	175.7	-173	-78.8	0	0	0	111	P303 F307 M308 D309	P303-N305 PolarHBondContact O-N 3.38Å; N305-F307 VanDerWaalsContact C-N 3.33Å; N305-F307 PolarHBondContact O-N 2.82Å; N305-F307 WeakPolarHBondContact OD1-CB 3.41Å; N305-F307 PolarHBondContact OD1-N 3.34Å; N305-F307 VanDerWaalsContact OD1-N 3.14Å; N305-M308 HydrophobicContact CB-CB 3.98Å; N305-M308 PolarHBondContact O-N 3.06Å; N305-M308 PolarHBondContact OD1-N 2.87Å; N305-D309 PolarHBondContact O-N 3.05Å; N305-D309 VanDerWaalsContact O-N 3.1Å
306	Y	98.8	Very high	98.8	Very high	91 Å²	91	40.1 Å²	40.1	36%	0.357	19%	0.192	S	C	.	.	H	α-helix	trans	-56.6	-43.1	-178.4	178.4	-81.1	0	0	0	112.9	G59 V310 E311	G59-Y306 PolarHBondContact O-OH 3.42Å; Y306-V310 HydrophobicContact CD1-CB 4.4Å; Y306-V310 HydrophobicContact CD2-CB 3.87Å; Y306-V310 HydrophobicContact CD2-CG1 4.2Å; Y306-V310 HydrophobicContact CD2-CG2 3.84Å; Y306-V310 HydrophobicContact CE1-CB 4.31Å; Y306-V310 HydrophobicContact CE1-CG1 4.48Å; Y306-V310 HydrophobicContact CE2-CB 3.8Å; Y306-V310 HydrophobicContact CE2-CG1 3.63Å; Y306-V310 HydrophobicContact CE2-CG2 4.12Å; Y306-V310 HydrophobicContact CG-CB 4.16Å; Y306-V310 HydrophobicContact CG-CG2 4.3Å; Y306-V310 WeakPolarHBondContact O-CA 3.39Å; Y306-V310 VanDerWaalsContact O-CB 3.23Å; Y306-V310 WeakPolarHBondContact O-CB 3.4Å; Y306-V310 PolarHBondContact O-N 2.64Å; Y306-E311 HydrophobicContact CE1-CB 4.23Å; Y306-E311 PolarHBondContact O-N 3.49Å
307	F	98.8	Very high	98.8	Very high	69 Å²	69	37.5 Å²	37.5	30%	0.303	18%	0.18	S	C	.	.	I	π-helix	trans	-66	-44.1	-177.9	-178.8	-92.3	0	0	0	111.5	I50 N305 E311 Q312	I50-F307 HydrophobicContact CD1-CE2 4.29Å; I50-F307 HydrophobicContact CD1-CZ 4.12Å; I50-F307 HydrophobicContact CG1-CE2 3.99Å; I50-F307 HydrophobicContact CG1-CZ 4.04Å; I50-F307 HydrophobicContact CG2-CZ 4.17Å; N305-F307 VanDerWaalsContact C-N 3.33Å; N305-F307 PolarHBondContact O-N 2.82Å; N305-F307 WeakPolarHBondContact OD1-CB 3.41Å; N305-F307 PolarHBondContact OD1-N 3.34Å; N305-F307 VanDerWaalsContact OD1-N 3.14Å; F307-E311 HydrophobicContact CD2-CB 4.04Å; F307-E311 HydrophobicContact CD2-CG 4.06Å; F307-E311 HydrophobicContact CE2-CG 4.18Å; F307-E311 HydrophobicContact CG-CB 4.49Å; F307-Q312 HydrophobicContact CD1-CG 4.37Å; F307-Q312 HydrophobicContact CE1-CG 4.02Å; F307-Q312 VanDerWaalsContact CE1-NE2 3.33Å; F307-Q312 HydrophobicContact CZ-CG 4.33Å; F307-Q312 WeakPolarHBondContact O-CG 3.26Å; F307-Q312 PolarHBondContact O-N 3.06Å; F307-Q312 VanDerWaalsContact O-N 3.09Å; F307-Q312 PolarHBondContact O-NE2 2.84Å
308	M	98.5	Very high	98.7	Very high	79 Å²	79	40 Å²	40	39%	0.389	20%	0.196	S	C	.	.	I	π-helix	trans	-63.8	-45.8	-179.1	-172	166.1	177.1	0	0	113	N305 P355	N305-M308 HydrophobicContact CB-CB 3.98Å; N305-M308 PolarHBondContact O-N 3.06Å; N305-M308 PolarHBondContact OD1-N 2.87Å; M308-P355 HydrophobicContact CE-CB 4.17Å; M308-P355 HydrophobicContact CE-CG 3.43Å; M308-P355 VanDerWaalsContact CE-CG 3.43Å
309	D	98.8	Very high	98.7	Very high	19 Å²	19	40.7 Å²	40.7	10%	0.102	20%	0.201	C	C	.	.	I	π-helix	trans	-104.2	-28.6	-170	-70.7	-36.5	0	0	0	113.7	F63 F91 P303 N305 A313 V356	F63-D309 HydrophobicContact CE2-CB 4.18Å; F63-D309 HydrophobicContact CZ-CB 4.17Å; F91-D309 WeakPolarHBondContact CE1-O 3.41Å; F91-D309 WeakPolarHBondContact CZ-O 3.44Å; P303-D309 HydrophobicContact CB-CB 3.65Å; P303-D309 HydrophobicContact CG-CB 4.3Å; N305-D309 PolarHBondContact O-N 3.05Å; N305-D309 VanDerWaalsContact O-N 3.1Å; D309-A313 WeakPolarHBondContact O-CB 3.32Å; D309-V356 HydrophobicContact CB-CB 4.37Å; D309-V356 WeakPolarHBondContact O-CG2 3.41Å
310	V	98.9	Very high	98.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.209	C	C	.	.	I	π-helix	trans	-100.9	-52.9	-177.7	-171	0	0	0	0	111.2	R53 F91 R93 P303 Y306 A313	R53-V310 PolarHBondContact NH2-O 3.23Å; F91-V310 HydrophobicContact CZ-CG2 4.19Å; R93-V310 HydrophobicContact CG-CG1 4.27Å; P303-V310 HydrophobicContact CB-CG2 4.37Å; P303-V310 HydrophobicContact CG-CG2 3.73Å; Y306-V310 HydrophobicContact CD1-CB 4.4Å; Y306-V310 HydrophobicContact CD2-CB 3.87Å; Y306-V310 HydrophobicContact CD2-CG1 4.2Å; Y306-V310 HydrophobicContact CD2-CG2 3.84Å; Y306-V310 HydrophobicContact CE1-CB 4.31Å; Y306-V310 HydrophobicContact CE1-CG1 4.48Å; Y306-V310 HydrophobicContact CE2-CB 3.8Å; Y306-V310 HydrophobicContact CE2-CG1 3.63Å; Y306-V310 HydrophobicContact CE2-CG2 4.12Å; Y306-V310 HydrophobicContact CG-CB 4.16Å; Y306-V310 HydrophobicContact CG-CG2 4.3Å; Y306-V310 WeakPolarHBondContact O-CA 3.39Å; Y306-V310 VanDerWaalsContact O-CB 3.23Å; Y306-V310 WeakPolarHBondContact O-CB 3.4Å; Y306-V310 PolarHBondContact O-N 2.64Å; V310-A313 WeakPolarHBondContact O-CB 3.31Å; V310-A313 PolarHBondContact O-N 3.06Å
311	E	98.9	Very high	98.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.019	20%	0.199	C	C	.	.	I	π-helix	trans	-66.2	-44.1	-177.7	-172.3	52.7	-145	0	0	110.8	I50 R53 Y306 F307 A313 R346	I50-E311 HydrophobicContact CD1-CG 4.39Å; R53-E311 PolarHBondContact NH1-O 3.13Å; R53-E311 IonicContact NH1-OE1 2.71Å; R53-E311 IonicContact NH1-OE2 3.2Å; R53-E311 PolarHBondContact NH2-O 2.96Å; Y306-E311 HydrophobicContact CE1-CB 4.23Å; Y306-E311 PolarHBondContact O-N 3.49Å; F307-E311 HydrophobicContact CD2-CB 4.04Å; F307-E311 HydrophobicContact CD2-CG 4.06Å; F307-E311 HydrophobicContact CE2-CG 4.18Å; F307-E311 HydrophobicContact CG-CB 4.49Å; E311-A313 VanDerWaalsContact C-N 3.32Å; E311-A313 PolarHBondContact O-N 2.86Å; E311-R346 PolarHBondContact O-NH1 3.09Å
312	Q	98.9	Very high	98.5	Very high	39 Å²	39	36.6 Å²	36.6	18%	0.182	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	1.7	178.8	-66.5	-177	97.4	0	0	115	I50 F307 A314 L347 I354 N357	I50-Q312 HydrophobicContact CD1-CG 4.21Å; F307-Q312 HydrophobicContact CD1-CG 4.37Å; F307-Q312 HydrophobicContact CE1-CG 4.02Å; F307-Q312 VanDerWaalsContact CE1-NE2 3.33Å; F307-Q312 HydrophobicContact CZ-CG 4.33Å; F307-Q312 WeakPolarHBondContact O-CG 3.26Å; F307-Q312 PolarHBondContact O-N 3.06Å; F307-Q312 VanDerWaalsContact O-N 3.09Å; F307-Q312 PolarHBondContact O-NE2 2.84Å; Q312-A314 PolarHBondContact O-N 3.35Å; Q312-L347 HydrophobicContact CB-CD2 4.06Å; Q312-L347 HydrophobicContact CG-CD2 3.85Å; Q312-L347 WeakPolarHBondContact O-CD1 3.38Å; Q312-I354 HydrophobicContact CB-CD1 4.04Å; Q312-I354 HydrophobicContact CB-CG2 4.06Å; Q312-I354 HydrophobicContact CG-CD1 4.4Å; Q312-N357 PolarHBondContact O-ND2 3.23Å
313	A	98.9	Very high	98.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.			trans	-59.7	136.4	171.4	0	0	0	0	0	112	R53 F91 D309 V310 E311 F315 R346 V356	R53-A313 PolarHBondContact NH2-O 3.46Å; F91-A313 HydrophobicContact CD1-CB 4.4Å; F91-A313 HydrophobicContact CE1-CB 3.68Å; F91-A313 HydrophobicContact CZ-CB 4.5Å; D309-A313 WeakPolarHBondContact O-CB 3.32Å; V310-A313 WeakPolarHBondContact O-CB 3.31Å; V310-A313 PolarHBondContact O-N 3.06Å; E311-A313 VanDerWaalsContact C-N 3.32Å; E311-A313 PolarHBondContact O-N 2.86Å; A313-F315 HydrophobicContact CB-CD2 4.4Å; A313-F315 HydrophobicContact CB-CE2 3.64Å; A313-F315 HydrophobicContact CB-CZ 4.18Å; A313-R346 PolarHBondContact O-NH2 3.45Å; A313-V356 HydrophobicContact CB-CG1 4.25Å
314	A	98.9	Very high	98.5	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	18%	0.18	C	C	.	.			trans	-127.3	115.5	178	0	0	0	0	0	109.2	K116 Q312 Q343 L347 N357	K116-A314 WeakPolarHBondContact CE-O 3.45Å; K116-A314 PolarHBondContact NZ-O 3.16Å; Q312-A314 PolarHBondContact O-N 3.35Å; A314-Q343 HydrophobicContact CB-CG 3.92Å; A314-L347 HydrophobicContact CB-CD1 4.02Å; A314-N357 PolarHBondContact N-OD1 3.12Å
315	F	98.9	Very high	98.5	Very high	11 Å²	11	28.6 Å²	28.6	5%	0.048	14%	0.144	C	C	.	.			trans	-113.5	128.2	176	-53.8	-97.9	0	0	0	108.2	F91 R93 A114 K116 D125 V127 A313 Y339 Q343	F91-F315 HydrophobicContact CD1-CE1 4.14Å; F91-F315 AromaticContact CD1-CZ 3.59Å; F91-F315 HydrophobicContact CD1-CZ 3.59Å; F91-F315 HydrophobicContact CE1-CE2 4.36Å; F91-F315 AromaticContact CE1-CZ 3.74Å; F91-F315 HydrophobicContact CE1-CZ 3.74Å; R93-F315 HydrophobicContact CB-CE2 3.58Å; R93-F315 HydrophobicContact CB-CZ 3.6Å; R93-F315 HydrophobicContact CG-CE2 4.48Å; A114-F315 HydrophobicContact CB-CB 4.41Å; A114-F315 HydrophobicContact CB-CD1 3.96Å; A114-F315 HydrophobicContact CB-CD2 3.96Å; A114-F315 HydrophobicContact CB-CE1 4.11Å; A114-F315 HydrophobicContact CB-CE2 4.13Å; A114-F315 HydrophobicContact CB-CG 3.87Å; A114-F315 HydrophobicContact CB-CZ 4.19Å; K116-F315 HydrophobicContact CB-CD1 3.9Å; K116-F315 HydrophobicContact CB-CE1 3.67Å; D125-F315 HydrophobicContact CB-CB 4.36Å; D125-F315 VanDerWaalsContact OD2-CA 3.3Å; D125-F315 WeakPolarHBondContact OD2-CA 3.49Å; V127-F315 HydrophobicContact CG1-CB 4.42Å; V127-F315 HydrophobicContact CG2-CB 3.74Å; A313-F315 HydrophobicContact CB-CD2 4.4Å; A313-F315 HydrophobicContact CB-CE2 3.64Å; A313-F315 HydrophobicContact CB-CZ 4.18Å; F315-Y339 WeakPolarHBondContact O-CD1 3.33Å; F315-Q343 PolarHBondContact O-NE2 3.08Å
316	A	98.7	Very high	98.5	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	13%	0.13	C	C	.	.			trans	-132.1	127.2	178.4	0	0	0	0	0	110	D125 T318 N319	D125-A316 WeakPolarHBondContact CB-O 3.05Å; D125-A316 PolarHBondContact OD2-N 2.9Å; A316-T318 WeakPolarHBondContact CB-OG1 3.46Å; A316-T318 PolarHBondContact O-N 3.33Å; A316-N319 WeakPolarHBondContact O-CB 3.42Å; A316-N319 PolarHBondContact O-N 2.62Å
317	P	98.6	Very high	98.4	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.013	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.2	177	-28.8	37.9	0	0	0	114.2	V127 N319 F326 L332 R335 L336 Y339	V127-P317 HydrophobicContact CB-CG 4.11Å; V127-P317 HydrophobicContact CG2-CG 3.92Å; P317-N319 PolarHBondContact O-N 3Å; P317-F326 WeakPolarHBondContact O-CE1 3.47Å; P317-L332 HydrophobicContact CB-CD1 4.18Å; P317-R335 HydrophobicContact CG-CB 4.1Å; P317-L336 HydrophobicContact CB-CD2 4.13Å; P317-Y339 HydrophobicContact CG-CD2 4.13Å; P317-Y339 HydrophobicContact CG-CE2 4.24Å; P317-Y339 HydrophobicContact CG-CG 4.5Å
318	T	98	Very high	98.3	Very high	56 Å²	56	22 Å²	22	34%	0.344	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-21.1	172.1	47.8	0	0	0	0	114.9	A316 I320 L336	A316-T318 WeakPolarHBondContact CB-OG1 3.46Å; A316-T318 PolarHBondContact O-N 3.33Å; T318-I320 PolarHBondContact O-N 3.32Å; T318-L336 HydrophobicContact CG2-CB 3.76Å; T318-L336 HydrophobicContact CG2-CD2 4.08Å; T318-L336 HydrophobicContact CG2-CG 4.49Å; T318-L336 WeakPolarHBondContact CG2-O 3.39Å
319	N	98	Very high	98.3	Very high	59 Å²	59	18.3 Å²	18.3	32%	0.316	10%	0.102	S	C	.	.			trans	-76.6	84.2	176.8	-67.2	-14.9	0	0	0	107.9	W124 D125 A316 P317	W124-N319 WeakPolarHBondContact CA-O 3.42Å; D125-N319 HydrophobicContact CB-CB 4.02Å; D125-N319 PolarHBondContact N-O 3.5Å; D125-N319 WeakPolarHBondContact OD2-CB 3.35Å; D125-N319 PolarHBondContact OD2-ND2 2.88Å; A316-N319 WeakPolarHBondContact O-CB 3.42Å; A316-N319 PolarHBondContact O-N 2.62Å; P317-N319 PolarHBondContact O-N 3Å
320	I	97.8	Very high	98.3	Very high	35 Å²	35	20.8 Å²	20.8	18%	0.179	11%	0.112	C	C	.	.			trans	-121.2	148.6	-179.6	-157.8	153.3	0	0	0	109.1	T318 L324 D325 F326	T318-I320 PolarHBondContact O-N 3.32Å; I320-L324 HydrophobicContact CD1-CB 3.9Å; I320-L324 HydrophobicContact CG1-CB 3.6Å; I320-D325 VanDerWaalsContact CD1-CA 3.47Å; I320-F326 HydrophobicContact CB-CE1 3.95Å; I320-F326 HydrophobicContact CB-CZ 3.93Å; I320-F326 HydrophobicContact CD1-CD1 3.78Å; I320-F326 HydrophobicContact CD1-CE1 3.44Å; I320-F326 VanDerWaalsContact CD1-CE1 3.44Å; I320-F326 HydrophobicContact CD1-CZ 4.09Å; I320-F326 HydrophobicContact CG1-CE1 4.32Å; I320-F326 HydrophobicContact CG2-CE1 3.99Å; I320-F326 HydrophobicContact CG2-CE2 4.16Å; I320-F326 HydrophobicContact CG2-CZ 3.48Å; I320-F326 VanDerWaalsContact CG2-CZ 3.48Å
321	I	98	Very high	98.3	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.113	C	C	.	.			trans	-109.2	164.3	-176	58	169.6	0	0	0	110.6	A78 I80 T119 W124 L324	A78-I321 HydrophobicContact CB-CD1 4.11Å; I80-I321 HydrophobicContact CG2-CD1 3.87Å; T119-I321 HydrophobicContact CG2-CD1 3.97Å; W124-I321 HydrophobicContact CB-CD1 4.22Å; W124-I321 HydrophobicContact CB-CG1 4.18Å; W124-I321 HydrophobicContact CB-CG2 4.02Å; W124-I321 HydrophobicContact CG-CG1 4.48Å; I321-L324 HydrophobicContact CD1-CD1 4.29Å; I321-L324 HydrophobicContact CG1-CD1 3.88Å; I321-L324 HydrophobicContact CG1-CG 4.18Å; I321-L324 PolarHBondContact O-N 3.2Å
322	P	98	Very high	98.3	Very high	24 Å²	24	20.9 Å²	20.9	16%	0.156	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.6	145.3	170.8	-26.8	36.1	0	0	0	112.5	A78 E121 Y204 L324 Y403	A78-P322 WeakPolarHBondContact CA-O 3.37Å; A78-P322 WeakPolarHBondContact CB-O 3.09Å; E121-P322 HydrophobicContact CB-CG 4.35Å; Y204-P322 WeakPolarHBondContact OH-CA 3.39Å; P322-L324 PolarHBondContact O-N 2.77Å; P322-Y403 HydrophobicContact CB-CD1 3.83Å; P322-Y403 HydrophobicContact CB-CE1 4.39Å; P322-Y403 HydrophobicContact CG-CD1 3.54Å; P322-Y403 HydrophobicContact CG-CE1 4.04Å; P322-Y403 HydrophobicContact CG-CG 4.19Å
323	G	98.3	Very high	98.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	-11.3	-176.3	0	0	0	0	0	115.2	T76 N77 M203 Y204	T76-G323 PolarHBondContact OG1-O 3.45Å; N77-G323 WeakPolarHBondContact OD1-CA 3.49Å; N77-G323 PolarHBondContact OD1-N 3.13Å; N77-G323 VanDerWaalsContact OD1-N 3.15Å; M203-G323 VanDerWaalsContact CA-O 3.27Å; M203-G323 WeakPolarHBondContact CA-O 3.33Å; Y204-G323 PolarHBondContact N-O 2.58Å; Y204-G323 PolarHBondContact OH-N 2.73Å
324	L	98.5	Very high	98.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	144.6	173.2	-54	-176.7	0	0	0	109.9	A78 F81 W124 M203 I320 I321 P322	A78-L324 HydrophobicContact CB-CD2 4.26Å; A78-L324 HydrophobicContact CB-CG 4.06Å; F81-L324 HydrophobicContact CE2-CD2 4.38Å; W124-L324 HydrophobicContact CD2-CD1 3.68Å; W124-L324 VanDerWaalsContact CE2-CD1 3.47Å; W124-L324 HydrophobicContact CE3-CD1 4.16Å; W124-L324 HydrophobicContact CG-CD1 4.09Å; W124-L324 HydrophobicContact CH2-CD1 4.28Å; W124-L324 HydrophobicContact CZ2-CD1 3.79Å; W124-L324 HydrophobicContact CZ3-CD1 4.45Å; M203-L324 HydrophobicContact CE-CD2 3.74Å; M203-L324 HydrophobicContact CG-CD2 3.71Å; M203-L324 HydrophobicContact SD-CD2 4.32Å; I320-L324 HydrophobicContact CD1-CB 3.9Å; I320-L324 HydrophobicContact CG1-CB 3.6Å; I321-L324 HydrophobicContact CD1-CD1 4.29Å; I321-L324 HydrophobicContact CG1-CD1 3.88Å; I321-L324 HydrophobicContact CG1-CG 4.18Å; I321-L324 PolarHBondContact O-N 3.2Å; P322-L324 PolarHBondContact O-N 2.77Å
325	D	98	Very high	98.2	Very high	16 Å²	16	26 Å²	26	9%	0.086	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	178.7	174.9	-158.3	14.6	0	0	0	111.9	S202 Y204 I320 K405	S202-D325 PolarHBondContact N-O 3.26Å; S202-D325 PolarHBondContact O-N 3.46Å; S202-D325 WeakPolarHBondContact OG-CB 3.46Å; S202-D325 PolarHBondContact OG-O 3.17Å; Y204-D325 HydrophobicContact CD1-CB 4.37Å; Y204-D325 HydrophobicContact CE1-CB 4.21Å; I320-D325 VanDerWaalsContact CD1-CA 3.47Å; D325-K405 HydrophobicContact CB-CD 4.41Å; D325-K405 IonicContact OD1-NZ 3.16Å; D325-K405 PolarHBondContact OD1-NZ 2.86Å; D325-K405 WeakPolarHBondContact OD2-CD 2.88Å; D325-K405 IonicContact OD2-NZ 3.37Å
326	F	97.9	Very high	98.2	Very high	39 Å²	39	27 Å²	27	17%	0.171	15%	0.146	C	C	.	.			trans	-85.5	179.8	-177.9	-48.2	-55.8	0	0	0	112.1	S202 P317 I320 L332 L336	S202-F326 WeakPolarHBondContact CB-O 3.3Å; S202-F326 PolarHBondContact OG-O 3.15Å; P317-F326 WeakPolarHBondContact O-CE1 3.47Å; I320-F326 HydrophobicContact CB-CE1 3.95Å; I320-F326 HydrophobicContact CB-CZ 3.93Å; I320-F326 HydrophobicContact CD1-CD1 3.78Å; I320-F326 HydrophobicContact CD1-CE1 3.44Å; I320-F326 VanDerWaalsContact CD1-CE1 3.44Å; I320-F326 HydrophobicContact CD1-CZ 4.09Å; I320-F326 HydrophobicContact CG1-CE1 4.32Å; I320-F326 HydrophobicContact CG2-CE1 3.99Å; I320-F326 HydrophobicContact CG2-CE2 4.16Å; I320-F326 HydrophobicContact CG2-CZ 3.48Å; I320-F326 VanDerWaalsContact CG2-CZ 3.48Å; F326-L332 HydrophobicContact CB-CD2 4.1Å; F326-L332 HydrophobicContact CD1-CD2 4.43Å; F326-L336 HydrophobicContact CB-CD1 4.44Å; F326-L336 HydrophobicContact CD1-CD1 4.36Å; F326-L336 HydrophobicContact CD1-CD2 3.73Å; F326-L336 HydrophobicContact CD2-CD1 3.68Å; F326-L336 HydrophobicContact CD2-CD2 4.34Å; F326-L336 HydrophobicContact CE1-CD2 3.6Å; F326-L336 HydrophobicContact CE2-CD1 3.99Å; F326-L336 HydrophobicContact CE2-CD2 4.21Å; F326-L336 HydrophobicContact CG-CD1 3.88Å; F326-L336 HydrophobicContact CG-CD2 4.11Å; F326-L336 HydrophobicContact CZ-CD1 4.47Å; F326-L336 HydrophobicContact CZ-CD2 3.85Å
327	S	97.9	Very high	98.2	Very high	4 Å²	4	33.3 Å²	33.3	3%	0.028	17%	0.174	C	C	.	.			trans	-127.6	169	170	83.1	0	0	0	0	109.7	T200 D329 Q333	T200-S327 WeakPolarHBondContact O-CB 3.49Å; T200-S327 PolarHBondContact O-OG 2.74Å; S327-D329 PolarHBondContact O-N 2.81Å; S327-D329 VanDerWaalsContact O-N 3.15Å; S327-D329 WeakPolarHBondContact OG-CB 3.39Å; S327-D329 PolarHBondContact OG-N 3.18Å; S327-Q333 PolarHBondContact O-NE2 2.7Å
328	P	96.5	Very high	98.1	Very high	63 Å²	63	36 Å²	36	41%	0.409	19%	0.193	S	C	.	.	S	Bend	trans	-74.1	11.3	174.5	32.2	-36.7	0	0	0	114.2	F278 K330	F278-P328 HydrophobicContact CD1-CG 3.94Å; F278-P328 HydrophobicContact CD2-CG 3.72Å; F278-P328 HydrophobicContact CE1-CG 3.95Å; F278-P328 HydrophobicContact CE2-CG 3.71Å; F278-P328 HydrophobicContact CG-CG 3.83Å; F278-P328 HydrophobicContact CZ-CG 3.83Å; P328-K330 PolarHBondContact O-N 2.81Å
329	D	98.1	Very high	98.2	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.187	C	C	.	.			trans	-52.2	113.7	168.5	174.8	-22.7	0	0	0	109.6	H199 F278 S327 M331 L332 Q333	H199-D329 WeakPolarHBondContact CB-OD2 3.24Å; H199-D329 IonicContact CE1-OD2 3.2Å; H199-D329 IonicContact CG-OD2 2.73Å; H199-D329 IonicContact ND1-OD1 3.88Å; H199-D329 IonicContact ND1-OD2 2.85Å; H199-D329 PolarHBondContact ND1-OD2 3.42Å; F278-D329 HydrophobicContact CB-CB 4.1Å; F278-D329 WeakPolarHBondContact O-CB 3.36Å; F278-D329 VanDerWaalsContact O-CG 3.24Å; S327-D329 PolarHBondContact O-N 2.81Å; S327-D329 VanDerWaalsContact O-N 3.15Å; S327-D329 WeakPolarHBondContact OG-CB 3.39Å; S327-D329 PolarHBondContact OG-N 3.18Å; D329-M331 PolarHBondContact O-N 3.09Å; D329-M331 WeakPolarHBondContact OD1-CA 3.43Å; D329-M331 VanDerWaalsContact OD1-CB 3.29Å; D329-M331 WeakPolarHBondContact OD1-CB 3.22Å; D329-M331 PolarHBondContact OD1-N 2.77Å; D329-L332 HydrophobicContact CB-CB 3.92Å; D329-L332 WeakPolarHBondContact O-CB 3.12Å; D329-L332 PolarHBondContact O-N 3.34Å; D329-L332 PolarHBondContact OD1-N 3.05Å; D329-L332 VanDerWaalsContact OD1-N 3.14Å; D329-Q333 WeakPolarHBondContact O-CG 3.45Å; D329-Q333 PolarHBondContact O-N 3.4Å
330	K	98.2	Very high	98.2	Very high	72 Å²	72	33.8 Å²	33.8	31%	0.313	18%	0.178	S	C	.	.	H	α-helix	trans	-61.9	-35.1	-173.1	-54.5	-162.2	-160.5	175.8	0	111.8	P139 P328 Q333 G334 Q419	P139-K330 WeakPolarHBondContact CD-O 3.28Å; P139-K330 WeakPolarHBondContact CG-O 3.15Å; P328-K330 PolarHBondContact O-N 2.81Å; K330-Q333 PolarHBondContact O-N 3.46Å; K330-G334 PolarHBondContact O-N 3.17Å; K330-Q419 VanDerWaalsContact NZ-CG 3.34Å
331	M	98.7	Very high	98.2	Very high	6 Å²	6	35.7 Å²	35.7	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-65.5	-45.8	176	-74	-72.1	-72.3	0	0	110.5	F134 F136 P139 F142 L280 D329 Q333 G334 R335	F134-M331 HydrophobicContact CD1-CE 3.74Å; F134-M331 HydrophobicContact CE1-CE 4.09Å; F136-M331 HydrophobicContact CD2-CE 3.89Å; F136-M331 HydrophobicContact CD2-SD 3.6Å; F136-M331 VanDerWaalsContact CD2-SD 3.6Å; F136-M331 HydrophobicContact CE2-CE 3.41Å; F136-M331 VanDerWaalsContact CE2-CE 3.41Å; F136-M331 HydrophobicContact CE2-SD 3.47Å; F136-M331 WeakPolarHBondContact CE2-SD 3.42Å; F136-M331 HydrophobicContact CZ-CE 4.07Å; P139-M331 VanDerWaalsContact CA-SD 3.58Å; P139-M331 HydrophobicContact CB-SD 4.21Å; P139-M331 VanDerWaalsContact N-SD 3.43Å; F142-M331 HydrophobicContact CD2-CE 4.31Å; L280-M331 HydrophobicContact CB-CB 4.4Å; L280-M331 HydrophobicContact CB-CG 4.3Å; L280-M331 HydrophobicContact CD2-CB 3.62Å; L280-M331 HydrophobicContact CD2-CE 3.96Å; L280-M331 HydrophobicContact CD2-CG 3.79Å; D329-M331 PolarHBondContact O-N 3.09Å; D329-M331 WeakPolarHBondContact OD1-CA 3.43Å; D329-M331 VanDerWaalsContact OD1-CB 3.29Å; D329-M331 WeakPolarHBondContact OD1-CB 3.22Å; D329-M331 PolarHBondContact OD1-N 2.77Å; M331-Q333 VanDerWaalsContact C-N 3.32Å; M331-Q333 PolarHBondContact O-N 2.84Å; M331-G334 PolarHBondContact O-N 2.76Å; M331-R335 VanDerWaalsContact O-CG 3.28Å; M331-R335 WeakPolarHBondContact O-CG 3.21Å; M331-R335 PolarHBondContact O-N 2.82Å; M331-R335 VanDerWaalsContact O-N 3.1Å
332	L	98.7	Very high	98.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.1	-48.2	174.9	178.8	58.7	0	0	0	110.7	H199 T200 Y201 P317 F326 D329 G334 R335 L336	H199-L332 HydrophobicContact CB-CB 4.23Å; H199-L332 HydrophobicContact CB-CD2 4.32Å; H199-L332 PolarHBondContact CE1-N 3.43Å; T200-L332 WeakPolarHBondContact O-CD2 3.26Å; Y201-L332 HydrophobicContact CD1-CD2 3.91Å; Y201-L332 HydrophobicContact CE1-CD1 3.7Å; Y201-L332 HydrophobicContact CE1-CD2 3.87Å; Y201-L332 HydrophobicContact CE1-CG 4.46Å; Y201-L332 HydrophobicContact CG-CD2 4.44Å; P317-L332 HydrophobicContact CB-CD1 4.18Å; F326-L332 HydrophobicContact CB-CD2 4.1Å; F326-L332 HydrophobicContact CD1-CD2 4.43Å; D329-L332 HydrophobicContact CB-CB 3.92Å; D329-L332 WeakPolarHBondContact O-CB 3.12Å; D329-L332 PolarHBondContact O-N 3.34Å; D329-L332 PolarHBondContact OD1-N 3.05Å; D329-L332 VanDerWaalsContact OD1-N 3.14Å; L332-G334 VanDerWaalsContact C-N 3.35Å; L332-G334 PolarHBondContact O-N 3.1Å; L332-R335 WeakPolarHBondContact O-CB 3.47Å; L332-R335 PolarHBondContact O-N 3.22Å; L332-L336 HydrophobicContact CD1-CD2 4.28Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 3.5Å; L332-L336 VanDerWaalsContact O-N 3.1Å
333	Q	98.4	Very high	98.3	Very high	90 Å²	90	37.2 Å²	37.2	42%	0.421	20%	0.201	S	C	.	.	H	α-helix	trans	-56.6	-44.1	178.9	-68	-63.1	-45.2	0	0	112.5	S327 D329 K330 M331 R335 L336	S327-Q333 PolarHBondContact O-NE2 2.7Å; D329-Q333 WeakPolarHBondContact O-CG 3.45Å; D329-Q333 PolarHBondContact O-N 3.4Å; K330-Q333 PolarHBondContact O-N 3.46Å; M331-Q333 VanDerWaalsContact C-N 3.32Å; M331-Q333 PolarHBondContact O-N 2.84Å; Q333-R335 VanDerWaalsContact C-N 3.33Å; Q333-R335 PolarHBondContact O-N 2.68Å; Q333-L336 WeakPolarHBondContact O-CB 3.36Å; Q333-L336 PolarHBondContact O-N 3.24Å
334	G	98.4	Very high	98.3	Very high	26 Å²	26	42.7 Å²	42.7	27%	0.268	22%	0.222	S	C	.	.	H	α-helix	trans	-63.8	-37	175.5	0	0	0	0	0	113.3	K330 M331 L332 L336 F337 S338	K330-G334 PolarHBondContact O-N 3.17Å; M331-G334 PolarHBondContact O-N 2.76Å; L332-G334 VanDerWaalsContact C-N 3.35Å; L332-G334 PolarHBondContact O-N 3.1Å; G334-L336 VanDerWaalsContact C-N 3.26Å; G334-L336 PolarHBondContact O-N 3.44Å; G334-F337 PolarHBondContact O-N 3.37Å; G334-S338 PolarHBondContact O-N 3.06Å
335	R	98.7	Very high	98.3	Very high	33 Å²	33	51.2 Å²	51.2	13%	0.125	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-26.3	176.8	-64.4	175.8	77.6	-156.7	2.2	112.4	V127 H199 P317 M331 L332 Q333 F337 S338 Y339	V127-R335 VanDerWaalsContact CG1-NH2 3.28Å; V127-R335 PolarHBondContact O-NH1 2.84Å; V127-R335 VanDerWaalsContact O-NH1 3.07Å; V127-R335 PolarHBondContact O-NH2 3.32Å; H199-R335 PolarHBondContact CD2-NH1 3Å; H199-R335 VanDerWaalsContact NE2-CD 3.32Å; H199-R335 WeakPolarHBondContact NE2-CD 3.35Å; H199-R335 PolarHBondContact NE2-NH1 3.12Å; P317-R335 HydrophobicContact CG-CB 4.1Å; M331-R335 VanDerWaalsContact O-CG 3.28Å; M331-R335 WeakPolarHBondContact O-CG 3.21Å; M331-R335 PolarHBondContact O-N 2.82Å; M331-R335 VanDerWaalsContact O-N 3.1Å; L332-R335 WeakPolarHBondContact O-CB 3.47Å; L332-R335 PolarHBondContact O-N 3.22Å; Q333-R335 VanDerWaalsContact C-N 3.33Å; Q333-R335 PolarHBondContact O-N 2.68Å; R335-F337 PolarHBondContact O-N 2.75Å; R335-S338 PolarHBondContact O-N 2.97Å; R335-Y339 HydrophobicContact CB-CD2 3.93Å; R335-Y339 HydrophobicContact CB-CE2 3.79Å; R335-Y339 HydrophobicContact CG-CD2 4.46Å; R335-Y339 HydrophobicContact CG-CE2 3.85Å; R335-Y339 VanDerWaalsContact NE-CE2 3.32Å; R335-Y339 PolarHBondContact NE-OH 3.47Å; R335-Y339 PolarHBondContact NH2-OH 3.01Å; R335-Y339 WeakPolarHBondContact O-CD2 3.26Å; R335-Y339 PolarHBondContact O-N 2.94Å
336	L	98.5	Very high	98.4	Very high	32 Å²	32	51.3 Å²	51.3	17%	0.168	26%	0.255	C	S	.	.	H	α-helix	trans	-59.2	-34.2	176.9	-57.8	-174.7	0	0	0	111.7	P317 T318 F326 L332 Q333 G334	P317-L336 HydrophobicContact CB-CD2 4.13Å; T318-L336 HydrophobicContact CG2-CB 3.76Å; T318-L336 HydrophobicContact CG2-CD2 4.08Å; T318-L336 HydrophobicContact CG2-CG 4.49Å; T318-L336 WeakPolarHBondContact CG2-O 3.39Å; F326-L336 HydrophobicContact CB-CD1 4.44Å; F326-L336 HydrophobicContact CD1-CD1 4.36Å; F326-L336 HydrophobicContact CD1-CD2 3.73Å; F326-L336 HydrophobicContact CD2-CD1 3.68Å; F326-L336 HydrophobicContact CD2-CD2 4.34Å; F326-L336 HydrophobicContact CE1-CD2 3.6Å; F326-L336 HydrophobicContact CE2-CD1 3.99Å; F326-L336 HydrophobicContact CE2-CD2 4.21Å; F326-L336 HydrophobicContact CG-CD1 3.88Å; F326-L336 HydrophobicContact CG-CD2 4.11Å; F326-L336 HydrophobicContact CZ-CD1 4.47Å; F326-L336 HydrophobicContact CZ-CD2 3.85Å; L332-L336 HydrophobicContact CD1-CD2 4.28Å; L332-L336 WeakPolarHBondContact O-CG 3.48Å; L332-L336 PolarHBondContact O-N 3.5Å; L332-L336 VanDerWaalsContact O-N 3.1Å; Q333-L336 WeakPolarHBondContact O-CB 3.36Å; Q333-L336 PolarHBondContact O-N 3.24Å; G334-L336 VanDerWaalsContact C-N 3.26Å; G334-L336 PolarHBondContact O-N 3.44Å
337	F	98.4	Very high	98.4	Very high	135 Å²	135	50.7 Å²	50.7	59%	0.592	25%	0.253	S	S	*	.	H	α-helix	trans	-83.7	-51.6	174.5	173.1	-106.7	0	0	0	112.5	G334 R335 Y339 D341	G334-F337 PolarHBondContact O-N 3.37Å; R335-F337 PolarHBondContact O-N 2.75Å; F337-Y339 PolarHBondContact O-N 2.96Å; F337-D341 HydrophobicContact CE1-CB 4.19Å; F337-D341 HydrophobicContact CE2-CB 4.31Å; F337-D341 HydrophobicContact CZ-CB 3.96Å; F337-D341 PolarHBondContact O-N 3.26Å
338	S	98.3	Very high	98.5	Very high	59 Å²	59	51.3 Å²	51.3	41%	0.413	26%	0.26	S	S	.	.	H	α-helix	trans	-62.5	-36.6	-161.5	-177.8	0	0	0	0	114.4	G334 R335 D341 A342	G334-S338 PolarHBondContact O-N 3.06Å; R335-S338 PolarHBondContact O-N 2.97Å; S338-D341 PolarHBondContact O-N 3.34Å; S338-A342 WeakPolarHBondContact O-CB 3.27Å; S338-A342 PolarHBondContact O-N 2.98Å
339	Y	98.7	Very high	98.5	Very high	56 Å²	56	52 Å²	52	22%	0.22	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-51.2	-175.4	-82	-99.7	0	0	0	112.4	V127 F315 P317 R335 F337 D341 A342 Q343	V127-Y339 HydrophobicContact CG1-CE1 3.83Å; F315-Y339 WeakPolarHBondContact O-CD1 3.33Å; P317-Y339 HydrophobicContact CG-CD2 4.13Å; P317-Y339 HydrophobicContact CG-CE2 4.24Å; P317-Y339 HydrophobicContact CG-CG 4.5Å; R335-Y339 HydrophobicContact CB-CD2 3.93Å; R335-Y339 HydrophobicContact CB-CE2 3.79Å; R335-Y339 HydrophobicContact CG-CD2 4.46Å; R335-Y339 HydrophobicContact CG-CE2 3.85Å; R335-Y339 VanDerWaalsContact NE-CE2 3.32Å; R335-Y339 PolarHBondContact NE-OH 3.47Å; R335-Y339 PolarHBondContact NH2-OH 3.01Å; R335-Y339 WeakPolarHBondContact O-CD2 3.26Å; R335-Y339 PolarHBondContact O-N 2.94Å; F337-Y339 PolarHBondContact O-N 2.96Å; Y339-D341 VanDerWaalsContact C-N 3.26Å; Y339-D341 PolarHBondContact O-N 3.14Å; Y339-A342 PolarHBondContact O-N 3.37Å; Y339-Q343 WeakPolarHBondContact O-CB 3.22Å; Y339-Q343 WeakPolarHBondContact O-CG 3.48Å; Y339-Q343 PolarHBondContact O-N 3.49Å; Y339-Q343 PolarHBondContact O-NE2 3.13Å
340	G	98.2	Very high	98.4	Very high	11 Å²	11	52.6 Å²	52.6	11%	0.113	27%	0.266	C	S	.	.	H	α-helix	trans	-62.6	-35.8	178.8	0	0	0	0	0	112.1	R344	G340-R344 WeakPolarHBondContact O-CG 3.19Å; G340-R344 PolarHBondContact O-N 3.26Å; G340-R344 VanDerWaalsContact O-N 3.13Å; G340-R344 PolarHBondContact O-NE 3.39Å
341	D	98.7	Very high	98.4	Very high	76 Å²	76	50.5 Å²	50.5	41%	0.406	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-52	176.1	-169.2	59.3	0	0	0	112.6	F337 S338 Y339 Q343 R344 Y345	F337-D341 HydrophobicContact CE1-CB 4.19Å; F337-D341 HydrophobicContact CE2-CB 4.31Å; F337-D341 HydrophobicContact CZ-CB 3.96Å; F337-D341 PolarHBondContact O-N 3.26Å; S338-D341 PolarHBondContact O-N 3.34Å; Y339-D341 VanDerWaalsContact C-N 3.26Å; Y339-D341 PolarHBondContact O-N 3.14Å; D341-Q343 PolarHBondContact O-N 3.48Å; D341-R344 VanDerWaalsContact CA-NH2 3.35Å; D341-R344 PolarHBondContact O-N 3Å; D341-R344 IonicContact OD1-NH2 2.81Å; D341-Y345 PolarHBondContact O-N 3.24Å
342	A	98.8	Very high	98.2	Very high	48 Å²	48	52.4 Å²	52.4	40%	0.397	26%	0.264	S	S	.	.	H	α-helix	trans	-60.3	-34.7	177.7	0	0	0	0	0	112.5	S338 Y339 R346	S338-A342 WeakPolarHBondContact O-CB 3.27Å; S338-A342 PolarHBondContact O-N 2.98Å; Y339-A342 PolarHBondContact O-N 3.37Å; A342-R346 VanDerWaalsContact O-CB 3.24Å; A342-R346 WeakPolarHBondContact O-CB 3.41Å; A342-R346 PolarHBondContact O-N 3.38Å
343	Q	98.8	Very high	98.1	Very high	11 Å²	11	52.8 Å²	52.8	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-70.2	-41.4	179.4	-71.6	157.9	18.7	0	0	112.6	A314 F315 Y339 D341 Y345 R346 L347	A314-Q343 HydrophobicContact CB-CG 3.92Å; F315-Q343 PolarHBondContact O-NE2 3.08Å; Y339-Q343 WeakPolarHBondContact O-CB 3.22Å; Y339-Q343 WeakPolarHBondContact O-CG 3.48Å; Y339-Q343 PolarHBondContact O-N 3.49Å; Y339-Q343 PolarHBondContact O-NE2 3.13Å; D341-Q343 PolarHBondContact O-N 3.48Å; Q343-Y345 VanDerWaalsContact C-N 3.28Å; Q343-Y345 PolarHBondContact O-N 2.98Å; Q343-R346 PolarHBondContact O-N 3.35Å; Q343-L347 PolarHBondContact O-N 3.26Å
344	R	98.7	Very high	98	Very high	115 Å²	115	49.7 Å²	49.7	43%	0.434	25%	0.252	S	S	.	.	H	α-helix	trans	-59	-39.9	175.6	-75.4	-178.1	-71.5	-98.6	4.4	112.1	G340 D341 G348	G340-R344 WeakPolarHBondContact O-CG 3.19Å; G340-R344 PolarHBondContact O-N 3.26Å; G340-R344 VanDerWaalsContact O-N 3.13Å; G340-R344 PolarHBondContact O-NE 3.39Å; D341-R344 VanDerWaalsContact CA-NH2 3.35Å; D341-R344 PolarHBondContact O-N 3Å; D341-R344 IonicContact OD1-NH2 2.81Å; R344-G348 CarbonylContact O-C 3.6Å; R344-G348 WeakPolarHBondContact O-CA 3.41Å; R344-G348 PolarHBondContact O-N 3.42Å; R344-G348 VanDerWaalsContact O-N 3.09Å
345	Y	98.8	Very high	98	Very high	182 Å²	182	50.9 Å²	50.9	71%	0.714	26%	0.255	S	S	*	.	H	α-helix	trans	-67.8	-50.1	173.2	170.7	-103.6	0	0	0	112	P51 D341 Q343	P51-Y345 HydrophobicContact CB-CE1 4.05Å; P51-Y345 HydrophobicContact CG-CE1 3.95Å; D341-Y345 PolarHBondContact O-N 3.24Å; Q343-Y345 VanDerWaalsContact C-N 3.28Å; Q343-Y345 PolarHBondContact O-N 2.98Å
346	R	98.8	Very high	98	Very high	19 Å²	19	49.3 Å²	49.3	7%	0.072	25%	0.249	C	C	.	.	H	α-helix	trans	-69.1	-39	-171.7	-175.6	172.2	61.6	90.9	0.9	113.8	P51 E311 A313 A342 Q343	P51-R346 WeakPolarHBondContact O-CD 3.46Å; P51-R346 VanDerWaalsContact O-CG 3.22Å; P51-R346 WeakPolarHBondContact O-CG 3.38Å; E311-R346 PolarHBondContact O-NH1 3.09Å; A313-R346 PolarHBondContact O-NH2 3.45Å; A342-R346 VanDerWaalsContact O-CB 3.24Å; A342-R346 WeakPolarHBondContact O-CB 3.41Å; A342-R346 PolarHBondContact O-N 3.38Å; Q343-R346 PolarHBondContact O-N 3.35Å
347	L	98.8	Very high	98	Very high	26 Å²	26	48.3 Å²	48.3	14%	0.136	24%	0.244	C	C	.	.	H	α-helix	trans	-122.4	-1.7	-168.4	-61.4	176.9	0	0	0	113.7	I50 Q312 A314 Q343 H351	I50-L347 HydrophobicContact CD1-CD2 3.5Å; I50-L347 VanDerWaalsContact CD1-CD2 3.5Å; Q312-L347 HydrophobicContact CB-CD2 4.06Å; Q312-L347 HydrophobicContact CG-CD2 3.85Å; Q312-L347 WeakPolarHBondContact O-CD1 3.38Å; A314-L347 HydrophobicContact CB-CD1 4.02Å; Q343-L347 PolarHBondContact O-N 3.26Å; L347-H351 HydrophobicContact CB-CB 3.43Å; L347-H351 VanDerWaalsContact CB-CB 3.43Å; L347-H351 HydrophobicContact CD1-CB 4.09Å; L347-H351 HydrophobicContact CG-CB 4.43Å
348	G	98.3	Very high	97.9	Very high	16 Å²	16	43.7 Å²	43.7	17%	0.165	22%	0.224	C	C	.	.			trans	82.8	161.3	-173.4	0	0	0	0	0	113.3	R344 N350 H351	R344-G348 CarbonylContact O-C 3.6Å; R344-G348 WeakPolarHBondContact O-CA 3.41Å; R344-G348 PolarHBondContact O-N 3.42Å; R344-G348 VanDerWaalsContact O-N 3.09Å; G348-N350 PolarHBondContact O-N 2.78Å; G348-H351 WeakPolarHBondContact O-CB 3.37Å; G348-H351 PolarHBondContact O-CD2 3.22Å; G348-H351 VanDerWaalsContact O-CD2 3.31Å; G348-H351 PolarHBondContact O-N 2.95Å; G348-H351 VanDerWaalsContact O-N 3.17Å
349	V	97.3	Very high	97.7	Very high	78 Å²	78	42 Å²	42	47%	0.473	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27.1	-175.5	68.8	0	0	0	0	113.7
350	N	96.9	Very high	97.5	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.07	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	21	179.8	-72.4	-39.6	0	0	0	113.1	G348 W352 Q353 D373 G374 Q375	G348-N350 PolarHBondContact O-N 2.78Å; N350-W352 PolarHBondContact O-N 3.15Å; N350-Q353 HydrophobicContact CB-CG 4.13Å; N350-Q353 VanDerWaalsContact O-CB 3.24Å; N350-Q353 WeakPolarHBondContact O-CB 3.25Å; N350-Q353 VanDerWaalsContact O-CG 3.3Å; N350-Q353 WeakPolarHBondContact O-CG 3.39Å; N350-Q353 PolarHBondContact O-N 3.39Å; N350-D373 PolarHBondContact ND2-O 2.97Å; N350-G374 PolarHBondContact ND2-O 3.33Å; N350-Q375 PolarHBondContact ND2-O 3.35Å
351	H	97.6	Very high	97.2	Very high	29 Å²	29	44 Å²	44	13%	0.134	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-59	-20.1	-178	72.7	87.9	0	0	0	114.9	L347 G348 Q353 I354 N357	L347-H351 HydrophobicContact CB-CB 3.43Å; L347-H351 VanDerWaalsContact CB-CB 3.43Å; L347-H351 HydrophobicContact CD1-CB 4.09Å; L347-H351 HydrophobicContact CG-CB 4.43Å; G348-H351 WeakPolarHBondContact O-CB 3.37Å; G348-H351 PolarHBondContact O-CD2 3.22Å; G348-H351 VanDerWaalsContact O-CD2 3.31Å; G348-H351 PolarHBondContact O-N 2.95Å; G348-H351 VanDerWaalsContact O-N 3.17Å; H351-Q353 PolarHBondContact O-N 3.25Å; H351-I354 HydrophobicContact CB-CD1 4.16Å; H351-I354 WeakPolarHBondContact O-CB 3.46Å; H351-I354 WeakPolarHBondContact O-CG1 3.42Å; H351-I354 PolarHBondContact O-N 3.48Å; H351-N357 WeakPolarHBondContact O-CB 3.34Å; H351-N357 PolarHBondContact O-ND2 2.93Å
352	W	94.8	Very high	97	Very high	45 Å²	45	42.1 Å²	42.1	17%	0.17	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-64.6	-19.3	172.3	63.5	-94.9	0	0	0	112.8	N350 I354 Q358 I367 V379	N350-W352 PolarHBondContact O-N 3.15Å; W352-I354 VanDerWaalsContact C-N 3.3Å; W352-Q358 WeakPolarHBondContact O-CA 3.39Å; W352-Q358 VanDerWaalsContact O-CG 3.29Å; W352-Q358 WeakPolarHBondContact O-CG 3.29Å; W352-Q358 PolarHBondContact O-N 3.15Å; W352-I367 HydrophobicContact CE3-CD1 4.18Å; W352-I367 HydrophobicContact CH2-CD1 3Å; W352-I367 HydrophobicContact CH2-CG1 4.48Å; W352-I367 HydrophobicContact CZ2-CD1 3.76Å; W352-I367 HydrophobicContact CZ3-CD1 3.24Å; W352-I367 HydrophobicContact CZ3-CG2 4.35Å; W352-V379 HydrophobicContact CH2-CG2 3.74Å; W352-V379 HydrophobicContact CZ3-CG2 3.66Å
353	Q	95.9	Very high	96.6	Very high	9 Å²	9	40.5 Å²	40.5	4%	0.042	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-77.2	-15.9	176.3	-57.7	-168.8	13.8	0	0	112.9	N350 H351 Q358 M376 R377 V379	N350-Q353 HydrophobicContact CB-CG 4.13Å; N350-Q353 VanDerWaalsContact O-CB 3.24Å; N350-Q353 WeakPolarHBondContact O-CB 3.25Å; N350-Q353 VanDerWaalsContact O-CG 3.3Å; N350-Q353 WeakPolarHBondContact O-CG 3.39Å; N350-Q353 PolarHBondContact O-N 3.39Å; H351-Q353 PolarHBondContact O-N 3.25Å; Q353-Q358 PolarHBondContact O-NE2 3.04Å; Q353-M376 PolarHBondContact OE1-O 3.37Å; Q353-R377 VanDerWaalsContact NE2-CD 3.26Å; Q353-R377 VanDerWaalsContact NE2-NE 3.17Å; Q353-V379 HydrophobicContact CB-CG1 4.09Å; Q353-V379 HydrophobicContact CB-CG2 3.86Å; Q353-V379 HydrophobicContact CG-CG2 3.5Å; Q353-V379 VanDerWaalsContact CG-CG2 3.5Å; Q353-V379 VanDerWaalsContact OE1-N 3.16Å
354	I	97.5	Very high	96	Very high	24 Å²	24	42.8 Å²	42.8	12%	0.123	22%	0.22	C	C	.	.	S	Bend	trans	-69.6	128.9	176.4	-57.6	168.5	0	0	0	107.9	Q312 H351 W352 V356 N357 Q358	Q312-I354 HydrophobicContact CB-CD1 4.04Å; Q312-I354 HydrophobicContact CB-CG2 4.06Å; Q312-I354 HydrophobicContact CG-CD1 4.4Å; H351-I354 HydrophobicContact CB-CD1 4.16Å; H351-I354 WeakPolarHBondContact O-CB 3.46Å; H351-I354 WeakPolarHBondContact O-CG1 3.42Å; H351-I354 PolarHBondContact O-N 3.48Å; W352-I354 VanDerWaalsContact C-N 3.3Å; I354-V356 VanDerWaalsContact C-N 3.34Å; I354-V356 HydrophobicContact CG2-CG1 4.3Å; I354-V356 PolarHBondContact O-N 3.22Å; I354-V356 VanDerWaalsContact O-N 3.11Å; I354-N357 WeakPolarHBondContact O-CA 3.44Å; I354-N357 WeakPolarHBondContact O-CB 3.47Å; I354-N357 PolarHBondContact O-N 3.36Å; I354-Q358 PolarHBondContact O-N 3.11Å
355	P	97.1	Very high	95.3	Very high	52 Å²	52	44 Å²	44	34%	0.338	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-52.1	-40	-166.6	-36.3	42.6	0	0	0	116.7	M308 N357 Q358	M308-P355 HydrophobicContact CE-CB 4.17Å; M308-P355 HydrophobicContact CE-CG 3.43Å; M308-P355 VanDerWaalsContact CE-CG 3.43Å; P355-N357 PolarHBondContact O-N 3.37Å; P355-Q358 PolarHBondContact O-N 2.92Å
356	V	98.4	Very high	94.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-63.8	-25.2	176.5	70.3	0	0	0	0	113.3	F63 F91 K116 Y118 D309 A313 I354	F63-V356 HydrophobicContact CE1-CG2 4.26Å; F63-V356 HydrophobicContact CZ-CG2 4.18Å; F91-V356 HydrophobicContact CB-CG2 4.37Å; F91-V356 HydrophobicContact CD1-CG2 3.66Å; F91-V356 HydrophobicContact CD2-CG2 4.11Å; F91-V356 HydrophobicContact CE1-CG2 3.9Å; F91-V356 HydrophobicContact CE2-CG2 4.31Å; F91-V356 HydrophobicContact CG-CG2 3.77Å; F91-V356 HydrophobicContact CZ-CG2 4.21Å; K116-V356 WeakPolarHBondContact CD-O 2.92Å; Y118-V356 WeakPolarHBondContact CE1-O 3.45Å; Y118-V356 PolarHBondContact OH-O 2.99Å; D309-V356 HydrophobicContact CB-CB 4.37Å; D309-V356 WeakPolarHBondContact O-CG2 3.41Å; A313-V356 HydrophobicContact CB-CG1 4.25Å; I354-V356 VanDerWaalsContact C-N 3.34Å; I354-V356 HydrophobicContact CG2-CG1 4.3Å; I354-V356 PolarHBondContact O-N 3.22Å; I354-V356 VanDerWaalsContact O-N 3.11Å
357	N	98.2	Very high	94	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.053	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-94.8	-14.9	-178.6	-61.5	-33.8	0	0	0	113.5	N123 Q312 A314 H351 I354 P355	N123-N357 PolarHBondContact ND2-O 3.11Å; N123-N357 VanDerWaalsContact ND2-O 3.1Å; Q312-N357 PolarHBondContact O-ND2 3.23Å; A314-N357 PolarHBondContact N-OD1 3.12Å; H351-N357 WeakPolarHBondContact O-CB 3.34Å; H351-N357 PolarHBondContact O-ND2 2.93Å; I354-N357 WeakPolarHBondContact O-CA 3.44Å; I354-N357 WeakPolarHBondContact O-CB 3.47Å; I354-N357 PolarHBondContact O-N 3.36Å; P355-N357 PolarHBondContact O-N 3.37Å
358	Q	96.8	Very high	93.3	Very high	38 Å²	38	43.2 Å²	43.2	18%	0.178	25%	0.245	C	C	.	.	S	Bend	trans	-61	147.3	-178.8	-70.4	178.4	7.4	0	0	111.1	Y118 N123 W352 Q353 I354 P355 K360 I364	Y118-Q358 WeakPolarHBondContact CE1-O 3.36Å; N123-Q358 PolarHBondContact ND2-O 3.09Å; W352-Q358 WeakPolarHBondContact O-CA 3.39Å; W352-Q358 VanDerWaalsContact O-CG 3.29Å; W352-Q358 WeakPolarHBondContact O-CG 3.29Å; W352-Q358 PolarHBondContact O-N 3.15Å; Q353-Q358 PolarHBondContact O-NE2 3.04Å; I354-Q358 PolarHBondContact O-N 3.11Å; P355-Q358 PolarHBondContact O-N 2.92Å; Q358-K360 VanDerWaalsContact C-N 3.25Å; Q358-K360 PolarHBondContact O-N 3.47Å; Q358-I364 HydrophobicContact CB-CG2 4.49Å; Q358-I364 HydrophobicContact CG-CG2 4.31Å
359	P	95.3	Very high	92.6	Very high	23 Å²	23	43.5 Å²	43.5	15%	0.149	24%	0.244	C	C	.	.			trans	-81.2	74.5	176.5	37.6	-37.3	0	0	0	110.2	N123 G361 V362 G363 I367	N123-P359 WeakPolarHBondContact OD1-CA 3.34Å; P359-G361 PolarHBondContact O-N 3.11Å; P359-G361 VanDerWaalsContact O-N 3.16Å; P359-V362 HydrophobicContact CB-CG2 3.68Å; P359-V362 HydrophobicContact CG-CG2 3.82Å; P359-V362 WeakPolarHBondContact O-CG2 3.39Å; P359-V362 PolarHBondContact O-N 3.36Å; P359-V362 VanDerWaalsContact O-N 3.13Å; P359-G363 PolarHBondContact O-N 3.39Å; P359-I367 HydrophobicContact CG-CG2 3.98Å
360	K	94.2	Very high	92.2	Very high	72 Å²	72	44.6 Å²	44.6	31%	0.313	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-35.8	-169.8	-61.1	176.6	178.8	168.8	0	113.7	E89 Y118 Q358 V362	E89-K360 IonicContact OE1-NZ 3.71Å; E89-K360 PolarHBondContact OE1-NZ 2.7Å; E89-K360 IonicContact OE2-NZ 2.73Å; Y118-K360 HydrophobicContact CD1-CB 3.93Å; Y118-K360 HydrophobicContact CD1-CD 3.77Å; Y118-K360 HydrophobicContact CD1-CG 3.75Å; Y118-K360 HydrophobicContact CD2-CD 4.04Å; Y118-K360 HydrophobicContact CE1-CD 3.82Å; Y118-K360 HydrophobicContact CE1-CG 3.99Å; Y118-K360 HydrophobicContact CE2-CD 4.09Å; Y118-K360 HydrophobicContact CG-CB 4.11Å; Y118-K360 HydrophobicContact CG-CD 3.9Å; Y118-K360 HydrophobicContact CG-CG 4.23Å; Q358-K360 VanDerWaalsContact C-N 3.25Å; Q358-K360 PolarHBondContact O-N 3.47Å; K360-V362 VanDerWaalsContact C-N 3.34Å; K360-V362 PolarHBondContact O-N 2.81Å
361	G	92.3	Very high	91.8	Very high	37 Å²	37	46.7 Å²	46.7	38%	0.381	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-19.2	-177.7	0	0	0	0	0	115.1	T119 P359	T119-G361 CarbonylContact O-C 3.59Å; T119-G361 WeakPolarHBondContact O-CA 3.36Å; P359-G361 PolarHBondContact O-N 3.11Å; P359-G361 VanDerWaalsContact O-N 3.16Å
362	V	92.9	Very high	91.6	Very high	37 Å²	37	48 Å²	48	22%	0.224	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-17	176.6	-53.1	0	0	0	0	113.3	E120 G122 P359 K360 N366	E120-V362 WeakPolarHBondContact O-CG1 3.45Å; G122-V362 VanDerWaalsContact N-CG1 3.26Å; P359-V362 HydrophobicContact CB-CG2 3.68Å; P359-V362 HydrophobicContact CG-CG2 3.82Å; P359-V362 WeakPolarHBondContact O-CG2 3.39Å; P359-V362 PolarHBondContact O-N 3.36Å; P359-V362 VanDerWaalsContact O-N 3.13Å; K360-V362 VanDerWaalsContact C-N 3.34Å; K360-V362 PolarHBondContact O-N 2.81Å; V362-N366 PolarHBondContact O-ND2 2.85Å
363	G	90.2	Very high	91.6	Very high	15 Å²	15	50.8 Å²	50.8	16%	0.155	28%	0.28	C	S	.	.			trans	83.1	146.3	-173.9	0	0	0	0	0	113.5	P359 E365 N366	P359-G363 PolarHBondContact O-N 3.39Å; G363-E365 VanDerWaalsContact C-OE2 3.31Å; G363-E365 WeakPolarHBondContact CA-OE2 3.41Å; G363-E365 PolarHBondContact O-N 3.03Å; G363-N366 PolarHBondContact O-N 3.26Å
364	I	86.9	Confident	91.6	Very high	58 Å²	58	52.4 Å²	52.4	30%	0.297	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-67.9	-17.8	-177.7	57.1	166.4	0	0	0	113.2	Q358 N366 I367 V379	Q358-I364 HydrophobicContact CB-CG2 4.49Å; Q358-I364 HydrophobicContact CG-CG2 4.31Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-I367 WeakPolarHBondContact O-CG1 3.34Å; I364-I367 WeakPolarHBondContact O-CG2 3.29Å; I364-V379 HydrophobicContact CD1-CB 4.47Å
365	E	83.9	Confident	91.6	Very high	141 Å²	141	58.6 Å²	58.6	66%	0.659	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-75.4	-18.3	177.9	65.5	-80.5	-171.4	0	0	113.5	G363	G363-E365 VanDerWaalsContact C-OE2 3.31Å; G363-E365 WeakPolarHBondContact CA-OE2 3.41Å; G363-E365 PolarHBondContact O-N 3.03Å
366	N	85.1	Confident	91.6	Very high	113 Å²	113	62.8 Å²	62.8	60%	0.604	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-104.9	17.3	-175.6	-64.3	-47.1	0	0	0	113.3	V362 G363 I364	V362-N366 PolarHBondContact O-ND2 2.85Å; G363-N366 PolarHBondContact O-N 3.26Å; I364-N366 VanDerWaalsContact C-N 3.32Å
367	I	84.8	Confident	91.4	Very high	32 Å²	32	64.9 Å²	64.9	16%	0.164	35%	0.352	C	S	.	.	S	Bend	trans	-76.5	169.9	179.4	67.3	171.4	0	0	0	112.8	W352 P359 I364 D380	W352-I367 HydrophobicContact CE3-CD1 4.18Å; W352-I367 HydrophobicContact CH2-CD1 3Å; W352-I367 HydrophobicContact CH2-CG1 4.48Å; W352-I367 HydrophobicContact CZ2-CD1 3.76Å; W352-I367 HydrophobicContact CZ3-CD1 3.24Å; W352-I367 HydrophobicContact CZ3-CG2 4.35Å; P359-I367 HydrophobicContact CG-CG2 3.98Å; I364-I367 WeakPolarHBondContact O-CG1 3.34Å; I364-I367 WeakPolarHBondContact O-CG2 3.29Å; I367-D380 HydrophobicContact CD1-CB 4.46Å; I367-D380 WeakPolarHBondContact CD1-OD2 3.43Å
368	C	84.2	Confident	91.3	Very high	66 Å²	66	69.3 Å²	69.3	45%	0.446	38%	0.379	S	S	.	.			trans	-51.1	120.5	178.8	-179.6	0	0	0	0	112.7	F370 S371 Q383	C368-F370 PolarHBondContact O-N 3.13Å; C368-S371 PolarHBondContact O-N 2.64Å; C368-Q383 PolarHBondContact O-NE2 2.85Å
369	P	84.7	Confident	91	Very high	22 Å²	22	68.8 Å²	68.8	14%	0.143	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-9.8	-173.8	30.1	-36.9	0	0	0	114.6	Q383 F397	P369-Q383 VanDerWaalsContact C-OE1 3.28Å; P369-Q383 PolarHBondContact O-OE1 2.96Å; P369-F397 HydrophobicContact CB-CD1 3.41Å; P369-F397 VanDerWaalsContact CB-CD1 3.41Å; P369-F397 HydrophobicContact CB-CD2 3.95Å; P369-F397 HydrophobicContact CB-CE1 3.18Å; P369-F397 HydrophobicContact CB-CE2 3.74Å; P369-F397 HydrophobicContact CB-CG 3.78Å; P369-F397 HydrophobicContact CB-CZ 3.35Å; P369-F397 HydrophobicContact CG-CB 3.92Å; P369-F397 HydrophobicContact CG-CD1 3.34Å; P369-F397 HydrophobicContact CG-CD2 3.94Å; P369-F397 HydrophobicContact CG-CE1 3.73Å; P369-F397 HydrophobicContact CG-CE2 4.27Å; P369-F397 HydrophobicContact CG-CG 3.45Å; P369-F397 VanDerWaalsContact CG-CG 3.45Å; P369-F397 HydrophobicContact CG-CZ 4.17Å
370	F	88	Confident	90.6	Very high	100 Å²	100	69.3 Å²	69.3	44%	0.439	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-14.5	-175.2	-50.7	-61.4	0	0	0	113	C368 R372 F397	C368-F370 PolarHBondContact O-N 3.13Å; F370-R372 PolarHBondContact O-N 3.47Å; F370-F397 HydrophobicContact CE1-CD2 4.07Å; F370-F397 HydrophobicContact CZ-CB 3.92Å; F370-F397 HydrophobicContact CZ-CD2 4.3Å; F370-F397 HydrophobicContact CZ-CG 4.39Å
371	S	90.1	Very high	90.4	Very high	57 Å²	57	72.5 Å²	72.5	40%	0.399	40%	0.401	S	S	.	.			trans	-79.8	100.9	174.8	-61.7	0	0	0	0	109.4	C368 R377	C368-S371 PolarHBondContact O-N 2.64Å; S371-R377 VanDerWaalsContact C-NH1 3.35Å; S371-R377 PolarHBondContact O-NH1 3.1Å; S371-R377 PolarHBondContact O-NH2 2.89Å
372	R	92.2	Very high	90.4	Very high	57 Å²	57	72.8 Å²	72.8	22%	0.215	39%	0.393	C	S	.	.			trans	-118.3	160.1	177.6	-62.1	-65.4	-173.1	119.8	5.2	111.6	F370 R377 N382 G384 T387	F370-R372 PolarHBondContact O-N 3.47Å; R372-R377 VanDerWaalsContact C-NH1 3.35Å; R372-R377 VanDerWaalsContact CA-NH1 3.3Å; R372-N382 WeakPolarHBondContact CA-OD1 3.28Å; R372-N382 VanDerWaalsContact CD-O 3.31Å; R372-N382 WeakPolarHBondContact CD-O 3.47Å; R372-N382 VanDerWaalsContact CZ-O 3.3Å; R372-N382 PolarHBondContact NE-O 2.94Å; R372-N382 PolarHBondContact NH1-O 3.11Å; R372-G384 PolarHBondContact NH1-O 3.15Å; R372-T387 PolarHBondContact NH2-O 3.3Å
373	D	94.6	Very high	90.2	Very high	103 Å²	103	73.2 Å²	73.2	55%	0.551	39%	0.393	S	S	*	.			trans	61	-137.8	171.5	-51.5	-19.3	0	0	0	113	N350 R377 N382	N350-D373 PolarHBondContact ND2-O 2.97Å; D373-R377 WeakPolarHBondContact O-CD 3.25Å; D373-N382 PolarHBondContact N-OD1 3.41Å; D373-N382 PolarHBondContact OD1-ND2 2.84Å
374	G	96.1	Very high	90.3	Very high	43 Å²	43	73.8 Å²	73.8	44%	0.443	40%	0.398	S	S	.	.			trans	75	163.5	-175.2	0	0	0	0	0	113.6	N350	N350-G374 PolarHBondContact ND2-O 3.33Å
375	Q	97.7	Very high	90.5	Very high	154 Å²	154	75.5 Å²	75.5	72%	0.72	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	140.3	-179.6	-169	177.9	19.1	0	0	111	N350	N350-Q375 PolarHBondContact ND2-O 3.35Å
376	M	97.1	Very high	90.6	Very high	140 Å²	140	70.4 Å²	70.4	69%	0.69	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	48.9	178.1	-67.2	-62.5	-68.6	0	0	114.7	Q353 V378	Q353-M376 PolarHBondContact OE1-O 3.37Å; M376-V378 HydrophobicContact CE-CG1 4.22Å; M376-V378 PolarHBondContact O-N 3.4Å
377	R	95.3	Very high	90.9	Very high	45 Å²	45	65.7 Å²	65.7	17%	0.17	39%	0.391	C	S	.	.			trans	-76.3	100.7	171	-167.8	84.2	-166.2	-145.9	-8.5	110.8	Q353 S371 R372 D373 D380 N382	Q353-R377 VanDerWaalsContact NE2-CD 3.26Å; Q353-R377 VanDerWaalsContact NE2-NE 3.17Å; S371-R377 VanDerWaalsContact C-NH1 3.35Å; S371-R377 PolarHBondContact O-NH1 3.1Å; S371-R377 PolarHBondContact O-NH2 2.89Å; R372-R377 VanDerWaalsContact C-NH1 3.35Å; R372-R377 VanDerWaalsContact CA-NH1 3.3Å; D373-R377 WeakPolarHBondContact O-CD 3.25Å; R377-D380 IonicContact CZ-OD1 2.68Å; R377-D380 IonicContact CZ-OD2 3.18Å; R377-D380 IonicContact NE-OD1 3.72Å; R377-D380 PolarHBondContact NE-OD1 3Å; R377-D380 IonicContact NH2-OD1 2.75Å; R377-D380 PolarHBondContact NH2-OD1 3.03Å; R377-D380 IonicContact NH2-OD2 3.15Å; R377-D380 PolarHBondContact NH2-OD2 3.36Å; R377-N382 HydrophobicContact CG-CB 3.89Å; R377-N382 PolarHBondContact NE-OD1 2.94Å; R377-N382 PolarHBondContact NH1-OD1 3.17Å
378	V	94.6	Very high	91.2	Very high	102 Å²	102	69.6 Å²	69.6	62%	0.618	41%	0.409	S	S	*	.			trans	-128.7	-22.8	-168.2	-63	0	0	0	0	115.2	M376	M376-V378 HydrophobicContact CE-CG1 4.22Å; M376-V378 PolarHBondContact O-N 3.4Å
379	V	91.3	Very high	91.7	Very high	28 Å²	28	72 Å²	72	17%	0.17	41%	0.409	C	S	.	.	S	Bend	trans	-93.4	-179.5	171.4	-51.5	0	0	0	0	110.1	W352 Q353 I364 N381	W352-V379 HydrophobicContact CH2-CG2 3.74Å; W352-V379 HydrophobicContact CZ3-CG2 3.66Å; Q353-V379 HydrophobicContact CB-CG1 4.09Å; Q353-V379 HydrophobicContact CB-CG2 3.86Å; Q353-V379 HydrophobicContact CG-CG2 3.5Å; Q353-V379 VanDerWaalsContact CG-CG2 3.5Å; Q353-V379 VanDerWaalsContact OE1-N 3.16Å; I364-V379 HydrophobicContact CD1-CB 4.47Å; V379-N381 PolarHBondContact O-N 2.93Å
380	D	86.5	Confident	92.1	Very high	33 Å²	33	76.8 Å²	76.8	18%	0.176	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	53.1	4	168.8	84.8	-8.9	0	0	0	118.6	I367 R377 N382 Q383	I367-D380 HydrophobicContact CD1-CB 4.46Å; I367-D380 WeakPolarHBondContact CD1-OD2 3.43Å; R377-D380 IonicContact CZ-OD1 2.68Å; R377-D380 IonicContact CZ-OD2 3.18Å; R377-D380 IonicContact NE-OD1 3.72Å; R377-D380 PolarHBondContact NE-OD1 3Å; R377-D380 IonicContact NH2-OD1 2.75Å; R377-D380 PolarHBondContact NH2-OD1 3.03Å; R377-D380 IonicContact NH2-OD2 3.15Å; R377-D380 PolarHBondContact NH2-OD2 3.36Å; D380-N382 PolarHBondContact O-N 3.47Å; D380-N382 WeakPolarHBondContact OD1-CA 3.25Å; D380-N382 PolarHBondContact OD1-N 2.87Å; D380-Q383 WeakPolarHBondContact O-CA 3.32Å; D380-Q383 PolarHBondContact O-N 3.03Å; D380-Q383 WeakPolarHBondContact OD2-CG 3.22Å
381	N	91.1	Very high	92.4	Very high	140 Å²	140	76.7 Å²	76.7	75%	0.749	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	52	34.1	-172.2	-170	35.9	0	0	0	113.2	V379 Q383 G384	V379-N381 PolarHBondContact O-N 2.93Å; N381-Q383 PolarHBondContact O-N 3.14Å; N381-G384 PolarHBondContact O-N 3.07Å
382	N	92.3	Very high	92.6	Very high	42 Å²	42	75 Å²	75	23%	0.225	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	50.6	28.8	-170.3	-161.6	26.7	0	0	0	112.3	R372 D373 R377 D380 G384	R372-N382 WeakPolarHBondContact CA-OD1 3.28Å; R372-N382 VanDerWaalsContact CD-O 3.31Å; R372-N382 WeakPolarHBondContact CD-O 3.47Å; R372-N382 VanDerWaalsContact CZ-O 3.3Å; R372-N382 PolarHBondContact NE-O 2.94Å; R372-N382 PolarHBondContact NH1-O 3.11Å; D373-N382 PolarHBondContact N-OD1 3.41Å; D373-N382 PolarHBondContact OD1-ND2 2.84Å; R377-N382 HydrophobicContact CG-CB 3.89Å; R377-N382 PolarHBondContact NE-OD1 2.94Å; R377-N382 PolarHBondContact NH1-OD1 3.17Å; D380-N382 PolarHBondContact O-N 3.47Å; D380-N382 WeakPolarHBondContact OD1-CA 3.25Å; D380-N382 PolarHBondContact OD1-N 2.87Å; N382-G384 PolarHBondContact O-N 3.37Å
383	Q	88.7	Confident	92.6	Very high	47 Å²	47	80.3 Å²	80.3	22%	0.22	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	59.3	22.4	-173.5	-48.1	167.8	14.2	0	0	115	C368 P369 D380 N381	C368-Q383 PolarHBondContact O-NE2 2.85Å; P369-Q383 VanDerWaalsContact C-OE1 3.28Å; P369-Q383 PolarHBondContact O-OE1 2.96Å; D380-Q383 WeakPolarHBondContact O-CA 3.32Å; D380-Q383 PolarHBondContact O-N 3.03Å; D380-Q383 WeakPolarHBondContact OD2-CG 3.22Å; N381-Q383 PolarHBondContact O-N 3.14Å
384	G	90.5	Very high	92.5	Very high	26 Å²	26	81 Å²	81	27%	0.268	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	-168.5	174.9	0	0	0	0	0	115.1	R372 N381 N382 G386	R372-G384 PolarHBondContact NH1-O 3.15Å; N381-G384 PolarHBondContact O-N 3.07Å; N382-G384 PolarHBondContact O-N 3.37Å; G384-G386 PolarHBondContact O-N 3.1Å; G384-G386 VanDerWaalsContact O-N 3.16Å
385	G	91.1	Very high	92.2	Very high	95 Å²	95	81.7 Å²	81.7	98%	0.979	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	20.4	-179.9	0	0	0	0	0	115.2
386	G	87.6	Confident	91.9	Very high	33 Å²	33	79 Å²	79	34%	0.34	45%	0.446	S	S	.	.	S	Bend	trans	-79.6	-176.8	-177	0	0	0	0	0	114.2	G384	G384-G386 PolarHBondContact O-N 3.1Å; G384-G386 VanDerWaalsContact O-N 3.16Å
387	T	91.4	Very high	91.6	Very high	15 Å²	15	75.6 Å²	75.6	9%	0.092	43%	0.428	C	S	.	.			trans	-54.4	140.7	173.3	-50.5	0	0	0	0	111.6	R372 Y389 N392 H394 F397	R372-T387 PolarHBondContact NH2-O 3.3Å; T387-Y389 HydrophobicContact CG2-CD1 4.16Å; T387-Y389 HydrophobicContact CG2-CE1 4.16Å; T387-N392 HydrophobicContact CG2-CB 3.88Å; T387-H394 PolarHBondContact OG1-ND1 3.43Å; T387-F397 HydrophobicContact CG2-CE2 4.15Å; T387-F397 VanDerWaalsContact O-CE2 3.27Å; T387-F397 WeakPolarHBondContact O-CE2 3.21Å; T387-F397 WeakPolarHBondContact O-CZ 3.49Å
388	H	91.4	Very high	91.4	Very high	114 Å²	114	78.5 Å²	78.5	53%	0.528	45%	0.447	S	S	.	.			trans	-136.4	21.5	-176.8	60	48.8	0	0	0	112.4
389	Y	92.8	Very high	91.3	Very high	117 Å²	117	78.1 Å²	78.1	46%	0.459	45%	0.448	S	S	.	.			trans	-146.8	158.3	-177.7	68.3	-88.6	0	0	0	111.6	T387 P391 N392	T387-Y389 HydrophobicContact CG2-CD1 4.16Å; T387-Y389 HydrophobicContact CG2-CE1 4.16Å; Y389-P391 WeakPolarHBondContact CD2-O 3.33Å; Y389-P391 WeakPolarHBondContact CE2-O 3.38Å; Y389-N392 HydrophobicContact CD2-CB 4.09Å; Y389-N392 HydrophobicContact CE2-CB 3.62Å; Y389-N392 PolarHBondContact O-ND2 3.25Å
390	Y	93.2	Very high	91.5	Very high	121 Å²	121	82.6 Å²	82.6	48%	0.475	47%	0.467	S	S	.	.	S	Bend	trans	-138.3	143.3	172.9	175.9	-86.7	0	0	0	109.2	F397	Y390-F397 WeakPolarHBondContact CD2-O 3.47Å
391	P	94.5	Very high	91.9	Very high	99 Å²	99	85.5 Å²	85.5	64%	0.643	49%	0.488	S	S	*	.	S	Bend	cis	-70.4	156.8	-4.3	31.2	-35.7	0	0	0	112.1	Y389	Y389-P391 WeakPolarHBondContact CD2-O 3.33Å; Y389-P391 WeakPolarHBondContact CE2-O 3.38Å
392	N	94.1	Very high	92	Very high	20 Å²	20	85.1 Å²	85.1	11%	0.107	48%	0.482	C	S	.	.			trans	-144.1	154.6	177.6	65.6	79.2	0	0	0	111.6	T387 Y389 H394 G395 K396	T387-N392 HydrophobicContact CG2-CB 3.88Å; Y389-N392 HydrophobicContact CD2-CB 4.09Å; Y389-N392 HydrophobicContact CE2-CB 3.62Å; Y389-N392 PolarHBondContact O-ND2 3.25Å; N392-H394 PolarHBondContact O-N 3.02Å; N392-H394 WeakPolarHBondContact OD1-CA 3.24Å; N392-H394 WeakPolarHBondContact OD1-CB 3.42Å; N392-H394 PolarHBondContact OD1-N 3.41Å; N392-G395 PolarHBondContact OD1-N 2.93Å; N392-K396 PolarHBondContact ND2-O 3.34Å; N392-K396 PolarHBondContact OD1-N 3.44Å
393	N	93.8	Very high	92.1	Very high	170 Å²	170	87.9 Å²	87.9	91%	0.909	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	11.2	179.8	-68.2	-19.9	0	0	0	113.6
394	H	91.8	Very high	92.4	Very high	117 Å²	117	94.1 Å²	94.1	54%	0.542	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	0.7	179	-52.4	136	0	0	0	112.9	T387 N392 K396	T387-H394 PolarHBondContact OG1-ND1 3.43Å; N392-H394 PolarHBondContact O-N 3.02Å; N392-H394 WeakPolarHBondContact OD1-CA 3.24Å; N392-H394 WeakPolarHBondContact OD1-CB 3.42Å; N392-H394 PolarHBondContact OD1-N 3.41Å; H394-K396 VanDerWaalsContact C-N 3.3Å; H394-K396 HydrophobicContact CB-CG 4.28Å; H394-K396 PolarHBondContact O-N 3.29Å
395	G	90.5	Very high	92.6	Very high	57 Å²	57	96.5 Å²	96.5	59%	0.588	52%	0.519	S	S	*	.			trans	64	34.6	-178.5	0	0	0	0	0	112.9	N392	N392-G395 PolarHBondContact OD1-N 2.93Å
396	K	90.5	Very high	92.7	Very high	97 Å²	97	93.1 Å²	93.1	42%	0.422	48%	0.48	S	S	.	.			trans	-109.6	145.5	-179.6	-68.3	-169.2	173.8	-171.5	0	111.4	N392 H394 D398	N392-K396 PolarHBondContact ND2-O 3.34Å; N392-K396 PolarHBondContact OD1-N 3.44Å; H394-K396 VanDerWaalsContact C-N 3.3Å; H394-K396 HydrophobicContact CB-CG 4.28Å; H394-K396 PolarHBondContact O-N 3.29Å; K396-D398 VanDerWaalsContact C-N 3.34Å
397	F	90.9	Very high	93	Very high	70 Å²	70	97.2 Å²	97.2	31%	0.307	50%	0.5	S	S	.	.	S	Bend	trans	65.9	33.8	170.7	-38.7	-46	0	0	0	113.9	P369 F370 T387 Y390	P369-F397 HydrophobicContact CB-CD1 3.41Å; P369-F397 VanDerWaalsContact CB-CD1 3.41Å; P369-F397 HydrophobicContact CB-CD2 3.95Å; P369-F397 HydrophobicContact CB-CE1 3.18Å; P369-F397 HydrophobicContact CB-CE2 3.74Å; P369-F397 HydrophobicContact CB-CG 3.78Å; P369-F397 HydrophobicContact CB-CZ 3.35Å; P369-F397 HydrophobicContact CG-CB 3.92Å; P369-F397 HydrophobicContact CG-CD1 3.34Å; P369-F397 HydrophobicContact CG-CD2 3.94Å; P369-F397 HydrophobicContact CG-CE1 3.73Å; P369-F397 HydrophobicContact CG-CE2 4.27Å; P369-F397 HydrophobicContact CG-CG 3.45Å; P369-F397 VanDerWaalsContact CG-CG 3.45Å; P369-F397 HydrophobicContact CG-CZ 4.17Å; F370-F397 HydrophobicContact CE1-CD2 4.07Å; F370-F397 HydrophobicContact CZ-CB 3.92Å; F370-F397 HydrophobicContact CZ-CD2 4.3Å; F370-F397 HydrophobicContact CZ-CG 4.39Å; T387-F397 HydrophobicContact CG2-CE2 4.15Å; T387-F397 VanDerWaalsContact O-CE2 3.27Å; T387-F397 WeakPolarHBondContact O-CE2 3.21Å; T387-F397 WeakPolarHBondContact O-CZ 3.49Å; Y390-F397 WeakPolarHBondContact CD2-O 3.47Å
398	D	91.8	Very high	92.8	Very high	106 Å²	106	101.6 Å²	101.6	57%	0.567	52%	0.518	S	S	*	.			trans	-60.3	148.9	170.6	-68.7	-32.6	0	0	0	110.7	K396	K396-D398 VanDerWaalsContact C-N 3.34Å
399	S	92.6	Very high	92.3	Very high	93 Å²	93	101.2 Å²	101.2	65%	0.65	53%	0.526	S	S	*	.			trans	-67	152.8	174.1	-62.5	0	0	0	0	110.8	P401	S399-P401 VanDerWaalsContact C-CD 3.48Å; S399-P401 WeakPolarHBondContact O-CD 3.25Å
400	Q	93.7	Very high	92	Very high	122 Å²	122	101.3 Å²	101.3	57%	0.57	54%	0.539	S	S	*	.			trans	-104.9	80.5	175.9	-64.3	173.6	80.8	0	0	108.9	E402 Y403	Q400-E402 VanDerWaalsContact CA-OE2 3.31Å; Q400-E402 WeakPolarHBondContact CA-OE2 3.46Å; Q400-E402 PolarHBondContact O-N 2.75Å; Q400-E402 VanDerWaalsContact O-N 3.17Å; Q400-Y403 HydrophobicContact CB-CD2 3.66Å; Q400-Y403 HydrophobicContact CB-CE2 4.14Å; Q400-Y403 PolarHBondContact O-N 2.99Å; Q400-Y403 VanDerWaalsContact O-N 3.16Å
401	P	95.1	Very high	91.6	Very high	95 Å²	95	103.9 Å²	103.9	62%	0.617	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-61.5	-20.1	-173.8	27.2	-37.3	0	0	0	114.2	S399 Y403 K404	S399-P401 VanDerWaalsContact C-CD 3.48Å; S399-P401 WeakPolarHBondContact O-CD 3.25Å; P401-Y403 PolarHBondContact O-N 3.45Å; P401-K404 WeakPolarHBondContact O-CB 3.25Å; P401-K404 PolarHBondContact O-N 2.75Å; P401-K404 VanDerWaalsContact O-N 3.1Å
402	E	94.1	Very high	91.3	Very high	132 Å²	132	101.7 Å²	101.7	62%	0.617	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-61.4	-26.4	174.3	62.8	-88.9	-148	0	0	113.4	Q400 K404	Q400-E402 VanDerWaalsContact CA-OE2 3.31Å; Q400-E402 WeakPolarHBondContact CA-OE2 3.46Å; Q400-E402 PolarHBondContact O-N 2.75Å; Q400-E402 VanDerWaalsContact O-N 3.17Å; E402-K404 VanDerWaalsContact C-N 3.34Å
403	Y	94	Very high	91.3	Very high	100 Å²	100	110.4 Å²	110.4	39%	0.392	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-93.6	10.2	175.6	-59.6	-67.1	0	0	0	113.2	E121 P322 Q400 P401 K405	E121-Y403 WeakPolarHBondContact OE1-CE1 3.44Å; P322-Y403 HydrophobicContact CB-CD1 3.83Å; P322-Y403 HydrophobicContact CB-CE1 4.39Å; P322-Y403 HydrophobicContact CG-CD1 3.54Å; P322-Y403 HydrophobicContact CG-CE1 4.04Å; P322-Y403 HydrophobicContact CG-CG 4.19Å; Q400-Y403 HydrophobicContact CB-CD2 3.66Å; Q400-Y403 HydrophobicContact CB-CE2 4.14Å; Q400-Y403 PolarHBondContact O-N 2.99Å; Q400-Y403 VanDerWaalsContact O-N 3.16Å; P401-Y403 PolarHBondContact O-N 3.45Å; Y403-K405 PolarHBondContact O-N 3.08Å; Y403-K405 VanDerWaalsContact O-N 3.14Å
404	K	94.6	Very high	91.3	Very high	178 Å²	178	106.5 Å²	106.5	77%	0.774	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-64.6	117.5	178.6	-172.1	174.1	-176	178.2	0	109.7	P401 E402	P401-K404 WeakPolarHBondContact O-CB 3.25Å; P401-K404 PolarHBondContact O-N 2.75Å; P401-K404 VanDerWaalsContact O-N 3.1Å; E402-K404 VanDerWaalsContact C-N 3.34Å
405	K	94.9	Very high	91.5	Very high	76 Å²	76	109.7 Å²	109.7	33%	0.33	60%	0.598	S	S	.	*	P	Polyproline II helix	trans	-61.3	145.8	179.8	-58	-173.5	174.5	-179.6	0	111.4	Y204 D325 Y403	Y204-K405 HydrophobicContact CE1-CG 4.24Å; D325-K405 HydrophobicContact CB-CD 4.41Å; D325-K405 IonicContact OD1-NZ 3.16Å; D325-K405 PolarHBondContact OD1-NZ 2.86Å; D325-K405 WeakPolarHBondContact OD2-CD 2.88Å; D325-K405 IonicContact OD2-NZ 3.37Å; Y403-K405 PolarHBondContact O-N 3.08Å; Y403-K405 VanDerWaalsContact O-N 3.14Å
406	P	93.7	Very high	91.8	Very high	24 Å²	24	113.9 Å²	113.9	16%	0.156	60%	0.602	C	S	.	*	P	Polyproline II helix	trans	-61.2	146.7	171.8	23.8	-30.2	0	0	0	110.3	Y204 G208 R210	Y204-P406 HydrophobicContact CD1-CG 4.3Å; Y204-P406 HydrophobicContact CD2-CG 4.13Å; Y204-P406 HydrophobicContact CG-CG 3.81Å; G208-P406 WeakPolarHBondContact O-CB 3.37Å; R210-P406 PolarHBondContact NH2-O 3.2Å
407	P	92.7	Very high	91.9	Very high	118 Å²	118	115 Å²	115	77%	0.766	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-62.3	156	172.1	29.2	-34.7	0	0	0	110.4	R210	R210-P407 PolarHBondContact NH1-O 2.69Å; R210-P407 PolarHBondContact NH2-O 2.85Å
408	F	88.3	Confident	92	Very high	107 Å²	107	115.4 Å²	115.4	47%	0.469	61%	0.61	S	S	.	*			trans	-123.7	146.2	167	65.2	-86.2	0	0	0	109.1	R210 T410	R210-F408 VanDerWaalsContact CZ-CB 3.5Å; R210-F408 VanDerWaalsContact NH1-CB 3.31Å; F408-T410 HydrophobicContact CD2-CG2 4.04Å; F408-T410 HydrophobicContact CE2-CG2 3.55Å; F408-T410 HydrophobicContact CZ-CG2 4.26Å
409	P	81.5	Confident	92	Very high	107 Å²	107	111.4 Å²	111.4	70%	0.695	59%	0.588	S	S	*	*			trans	-68.4	135.6	179.4	28	-33.5	0	0	0	110.8
410	T	86.5	Confident	91.9	Very high	119 Å²	119	109.3 Å²	109.3	73%	0.73	57%	0.566	S	S	*	*			trans	-120.1	134.3	166.5	56.9	0	0	0	0	108.1	F408	F408-T410 HydrophobicContact CD2-CG2 4.04Å; F408-T410 HydrophobicContact CE2-CG2 3.55Å; F408-T410 HydrophobicContact CZ-CG2 4.26Å
411	D	84.4	Confident	91.8	Very high	174 Å²	174	111.3 Å²	111.3	93%	0.93	58%	0.575	S	S	*	*			trans	-131.3	161.9	178.9	-166.6	12.5	0	0	0	110.5
412	G	87.9	Confident	91.5	Very high	54 Å²	54	112 Å²	112	56%	0.557	57%	0.573	S	S	*	*	S	Bend	trans	90.9	177.4	177	0	0	0	0	0	115.7
413	Y	94.5	Very high	91.3	Very high	202 Å²	202	106.1 Å²	106.1	79%	0.792	55%	0.547	S	S	*	.			trans	-87.3	154.2	176.1	-66.6	-72.9	0	0	0	110.5	Y415 Y417	Y413-Y415 PolarHBondContact O-N 3.16Å; Y413-Y417 PolarHBondContact N-OH 3.18Å; Y413-Y417 VanDerWaalsContact N-OH 3.16Å; Y413-Y417 WeakPolarHBondContact O-CE2 3.46Å; Y413-Y417 PolarHBondContact O-OH 3.06Å; Y413-Y417 VanDerWaalsContact O-OH 3.06Å
414	G	94.2	Very high	91.2	Very high	88 Å²	88	106.6 Å²	106.6	91%	0.907	56%	0.556	S	S	*	*	S	Bend	trans	-70.4	111.5	167.1	0	0	0	0	0	110.3
415	Y	95.9	Very high	91.2	Very high	185 Å²	185	100 Å²	100	73%	0.725	53%	0.529	S	S	*	.	S	Bend	trans	-156	165.2	-179	-163.8	-117.5	0	0	0	113	Y413 Y417	Y413-Y415 PolarHBondContact O-N 3.16Å; Y415-Y417 VanDerWaalsContact C-N 3.3Å; Y415-Y417 HydrophobicContact CD1-CD1 4.46Å; Y415-Y417 WeakPolarHBondContact O-CD2 3.31Å; Y415-Y417 PolarHBondContact O-N 2.73Å; Y415-Y417 VanDerWaalsContact O-N 3.13Å
416	E	95.2	Very high	91.3	Very high	144 Å²	144	96.9 Å²	96.9	67%	0.673	52%	0.515	S	S	*	.			trans	-84.1	68.1	173.2	-59.2	-167	131.8	0	0	110.8	K140 N418	K140-E416 IonicContact NZ-OE1 2.72Å; K140-E416 PolarHBondContact NZ-OE1 3.23Å; E416-N418 PolarHBondContact O-N 3.29Å
417	Y	94.3	Very high	91.4	Very high	122 Å²	122	97 Å²	97	48%	0.478	51%	0.513	S	S	.	.			trans	-60.7	124.3	-178.8	-66.8	-80	0	0	0	112.6	Y413 Y415 Q419	Y413-Y417 PolarHBondContact N-OH 3.18Å; Y413-Y417 VanDerWaalsContact N-OH 3.16Å; Y413-Y417 WeakPolarHBondContact O-CE2 3.46Å; Y413-Y417 PolarHBondContact O-OH 3.06Å; Y413-Y417 VanDerWaalsContact O-OH 3.06Å; Y415-Y417 VanDerWaalsContact C-N 3.3Å; Y415-Y417 HydrophobicContact CD1-CD1 4.46Å; Y415-Y417 WeakPolarHBondContact O-CD2 3.31Å; Y415-Y417 PolarHBondContact O-N 2.73Å; Y415-Y417 VanDerWaalsContact O-N 3.13Å; Y417-Q419 PolarHBondContact O-N 2.93Å
418	N	92.6	Very high	91.7	Very high	78 Å²	78	93.9 Å²	93.9	42%	0.417	49%	0.488	S	S	.	.			trans	-69.1	110.2	177	-177	-4.3	0	0	0	110.4	E416 R420 Q421	E416-N418 PolarHBondContact O-N 3.29Å; N418-R420 PolarHBondContact O-N 3.38Å; N418-R420 WeakPolarHBondContact OD1-CB 3.27Å; N418-R420 PolarHBondContact OD1-N 3.12Å; N418-Q421 HydrophobicContact CB-CG 4.19Å; N418-Q421 PolarHBondContact O-N 2.94Å; N418-Q421 VanDerWaalsContact O-N 3.09Å
419	Q	92.1	Very high	92.2	Very high	21 Å²	21	89.1 Å²	89.1	10%	0.098	47%	0.468	C	S	.	.	H	α-helix	trans	-63.1	-24.8	-179.4	-61.4	-159.2	48.8	0	0	113.1	R137 D138 K330 Y417 Q421 D422 D423	R137-Q419 PolarHBondContact NH2-O 3.32Å; R137-Q419 PolarHBondContact O-NE2 2.93Å; D138-Q419 PolarHBondContact OD2-NE2 3.43Å; D138-Q419 VanDerWaalsContact OD2-NE2 3.16Å; K330-Q419 VanDerWaalsContact NZ-CG 3.34Å; Y417-Q419 PolarHBondContact O-N 2.93Å; Q419-Q421 PolarHBondContact O-N 2.93Å; Q419-D422 PolarHBondContact O-N 3.38Å; Q419-D423 PolarHBondContact O-N 3.43Å
420	R	90.8	Very high	93	Very high	49 Å²	49	84 Å²	84	19%	0.185	44%	0.435	C	S	.	.	H	α-helix	trans	-67.8	-24.4	177	-55.4	-168.8	179.9	-69	-5	112.8	E172 N418 Y426 E498	E172-R420 IonicContact OE1-CZ 3.62Å; E172-R420 IonicContact OE1-NH1 3.64Å; E172-R420 IonicContact OE1-NH2 3.45Å; E172-R420 PolarHBondContact OE1-NH2 3.03Å; E172-R420 IonicContact OE2-CZ 2.79Å; E172-R420 IonicContact OE2-NH1 3.9Å; E172-R420 PolarHBondContact OE2-NH1 3.2Å; E172-R420 IonicContact OE2-NH2 3.8Å; E172-R420 PolarHBondContact OE2-NH2 2.86Å; E172-R420 VanDerWaalsContact OE2-NH2 3.08Å; N418-R420 PolarHBondContact O-N 3.38Å; N418-R420 WeakPolarHBondContact OD1-CB 3.27Å; N418-R420 PolarHBondContact OD1-N 3.12Å; R420-Y426 WeakPolarHBondContact CB-OH 3.28Å; R420-Y426 WeakPolarHBondContact CG-OH 3.49Å; R420-Y426 PolarHBondContact NH1-OH 2.7Å; R420-E498 PolarHBondContact NE-O 2.92Å; R420-E498 PolarHBondContact NH1-O 3.32Å
421	Q	89.6	Confident	93.6	Very high	164 Å²	164	78.4 Å²	78.4	77%	0.766	40%	0.4	S	S	*	.	H	α-helix	trans	-84.4	-24.2	174.7	-67.3	177.2	-12.5	0	0	112.5	N418 Q419	N418-Q421 HydrophobicContact CB-CG 4.19Å; N418-Q421 PolarHBondContact O-N 2.94Å; N418-Q421 VanDerWaalsContact O-N 3.09Å; Q419-Q421 PolarHBondContact O-N 2.93Å
422	D	89.9	Confident	94.3	Very high	109 Å²	109	73.8 Å²	73.8	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-77.1	-45	176.9	-177.1	65.3	0	0	0	111	N276 Q419	N276-D422 PolarHBondContact ND2-OD2 3.17Å; Q419-D422 PolarHBondContact O-N 3.38Å
423	D	90.5	Very high	94.8	Very high	10 Å²	10	73.1 Å²	73.1	5%	0.053	36%	0.355	C	S	.	.			trans	-154.5	112.2	-175	-179.2	-36	0	0	0	109.9	R137 N276 K282 Q419 N425	R137-D423 VanDerWaalsContact CZ-O 3.26Å; R137-D423 PolarHBondContact NH1-O 2.97Å; R137-D423 IonicContact NH1-OD1 3.06Å; R137-D423 PolarHBondContact NH2-O 3.5Å; N276-D423 HydrophobicContact CB-CB 4.5Å; N276-D423 PolarHBondContact N-OD2 3.36Å; N276-D423 VanDerWaalsContact N-OD2 3.15Å; K282-D423 WeakPolarHBondContact CE-OD1 3.43Å; K282-D423 WeakPolarHBondContact CE-OD2 3.44Å; K282-D423 IonicContact NZ-OD1 2.78Å; K282-D423 PolarHBondContact NZ-OD1 3.19Å; K282-D423 IonicContact NZ-OD2 2.73Å; K282-D423 PolarHBondContact NZ-OD2 3.37Å; Q419-D423 PolarHBondContact O-N 3.43Å; D423-N425 PolarHBondContact OD1-N 2.86Å
424	D	91.6	Very high	95	Very high	109 Å²	109	63.7 Å²	63.7	58%	0.583	32%	0.318	S	S	*	.			trans	-105.9	12.8	175.9	61.8	-0.5	0	0	0	112.9	Y426	D424-Y426 HydrophobicContact CB-CE2 3.97Å; D424-Y426 WeakPolarHBondContact O-CD2 3.45Å; D424-Y426 WeakPolarHBondContact O-CE2 3.48Å; D424-Y426 PolarHBondContact O-N 2.99Å
425	N	95	Very high	95.2	Very high	39 Å²	39	65.1 Å²	65.1	21%	0.209	30%	0.297	C	S	.	.			trans	-79.4	69.3	179.9	-171.7	9.7	0	0	0	111.2	D275 K282 D423 E428	D275-N425 PolarHBondContact OD1-ND2 3.21Å; K282-N425 VanDerWaalsContact CE-O 3.26Å; K282-N425 WeakPolarHBondContact CE-O 3.39Å; D423-N425 PolarHBondContact OD1-N 2.86Å; N425-E428 PolarHBondContact ND2-OE2 3.27Å; N425-E428 WeakPolarHBondContact OD1-CB 3.49Å
426	Y	95.7	Very high	95.3	Very high	11 Å²	11	63.2 Å²	63.2	4%	0.043	30%	0.298	C	S	.	.			trans	-78.7	-30.5	-176.9	-49.5	-58.6	0	0	0	113.3	P171 E172 R420 D424 P430	P171-Y426 HydrophobicContact CB-CD1 4.38Å; P171-Y426 HydrophobicContact CB-CD2 3.76Å; P171-Y426 HydrophobicContact CB-CE2 4.29Å; P171-Y426 HydrophobicContact CB-CG 3.82Å; P171-Y426 HydrophobicContact CG-CD1 4.28Å; P171-Y426 HydrophobicContact CG-CD2 3.8Å; P171-Y426 HydrophobicContact CG-CE1 4.27Å; P171-Y426 HydrophobicContact CG-CE2 3.81Å; P171-Y426 HydrophobicContact CG-CG 4.05Å; E172-Y426 HydrophobicContact CB-CD1 3.83Å; E172-Y426 HydrophobicContact CB-CE1 4.15Å; R420-Y426 WeakPolarHBondContact CB-OH 3.28Å; R420-Y426 WeakPolarHBondContact CG-OH 3.49Å; R420-Y426 PolarHBondContact NH1-OH 2.7Å; D424-Y426 HydrophobicContact CB-CE2 3.97Å; D424-Y426 WeakPolarHBondContact O-CD2 3.45Å; D424-Y426 WeakPolarHBondContact O-CE2 3.48Å; D424-Y426 PolarHBondContact O-N 2.99Å; Y426-P430 WeakPolarHBondContact O-CD 3.34Å; Y426-P430 VanDerWaalsContact O-CG 3.25Å; Y426-P430 WeakPolarHBondContact O-CG 3.46Å
427	F	97.1	Very high	95.4	Very high	26 Å²	26	58.6 Å²	58.6	11%	0.114	28%	0.277	C	S	.	.	S	Bend	trans	-108	-17.8	-158.3	-52.4	-65	0	0	0	114.4	P171 L174 P430 G431 H467 K470 A471	P171-F427 HydrophobicContact CB-CE1 4.1Å; P171-F427 HydrophobicContact CB-CZ 3.83Å; L174-F427 HydrophobicContact CD2-CD1 3.7Å; L174-F427 HydrophobicContact CD2-CE1 4.22Å; F427-P430 WeakPolarHBondContact O-CD 3.39Å; F427-G431 PolarHBondContact O-N 2.92Å; F427-G431 VanDerWaalsContact O-N 3.11Å; F427-H467 HydrophobicContact CE1-CB 3.94Å; F427-H467 AromaticContact CE1-ND1 3.7Å; F427-H467 AromaticContact CZ-ND1 3.73Å; F427-K470 HydrophobicContact CB-CB 4.27Å; F427-K470 HydrophobicContact CD1-CB 3.94Å; F427-K470 HydrophobicContact CD2-CB 3.75Å; F427-K470 HydrophobicContact CD2-CD 4.06Å; F427-K470 HydrophobicContact CE1-CB 4.21Å; F427-K470 HydrophobicContact CE1-CD 4.42Å; F427-K470 HydrophobicContact CE2-CB 4.02Å; F427-K470 HydrophobicContact CE2-CD 3.5Å; F427-K470 HydrophobicContact CE2-CG 4.38Å; F427-K470 HydrophobicContact CG-CB 3.71Å; F427-K470 HydrophobicContact CZ-CB 4.25Å; F427-K470 HydrophobicContact CZ-CD 3.71Å; F427-A471 HydrophobicContact CB-CB 4.16Å; F427-A471 WeakPolarHBondContact O-CA 3.44Å; F427-A471 WeakPolarHBondContact O-CB 3.26Å
428	E	97.9	Very high	95.6	Very high	53 Å²	53	56.2 Å²	56.2	25%	0.248	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-54.3	-177.8	-176.1	-169.7	154.7	0	0	112.2	K274 Y285 N425 G431 K432	K274-E428 IonicContact NZ-OE1 3.37Å; K274-E428 PolarHBondContact NZ-OE1 2.69Å; K274-E428 VanDerWaalsContact NZ-OE1 3.15Å; K274-E428 IonicContact NZ-OE2 3.95Å; K274-E428 PolarHBondContact NZ-OE2 3.43Å; Y285-E428 PolarHBondContact OH-OE1 3.1Å; N425-E428 PolarHBondContact ND2-OE2 3.27Å; N425-E428 WeakPolarHBondContact OD1-CB 3.49Å; E428-G431 PolarHBondContact O-N 3.41Å; E428-K432 WeakPolarHBondContact O-CG 3.41Å; E428-K432 PolarHBondContact O-N 3.5Å; E428-K432 WeakPolarHBondContact OE1-CE 3.19Å; E428-K432 IonicContact OE1-NZ 3.79Å; E428-K432 PolarHBondContact OE1-NZ 3.15Å
429	Q	98.6	Very high	95.9	Very high	7 Å²	7	58.7 Å²	58.7	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-45.7	-176.4	-55.9	-155.9	-4.8	0	0	113.4	H175 V283 G431 K432 L433	H175-Q429 PolarHBondContact CE1-OE1 3.42Å; V283-Q429 PolarHBondContact O-NE2 2.97Å; Q429-G431 VanDerWaalsContact C-N 3.28Å; Q429-G431 PolarHBondContact O-N 3.24Å; Q429-K432 PolarHBondContact O-N 3.42Å; Q429-L433 PolarHBondContact O-N 3.18Å
430	P	98.7	Very high	96.1	Very high	1 Å²	1	63.4 Å²	63.4	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-56.6	-42.4	172.8	-15.9	21.2	0	0	0	112.4	L174 H175 Y426 F427 K432 L433 F434 A471	L174-P430 HydrophobicContact CB-CG 4.22Å; L174-P430 HydrophobicContact CD2-CB 4.02Å; L174-P430 HydrophobicContact CD2-CG 4.12Å; L174-P430 HydrophobicContact CG-CB 3.99Å; L174-P430 HydrophobicContact CG-CG 4.11Å; H175-P430 HydrophobicContact CB-CG 3.84Å; Y426-P430 WeakPolarHBondContact O-CD 3.34Å; Y426-P430 VanDerWaalsContact O-CG 3.25Å; Y426-P430 WeakPolarHBondContact O-CG 3.46Å; F427-P430 WeakPolarHBondContact O-CD 3.39Å; P430-K432 PolarHBondContact O-N 3.32Å; P430-L433 PolarHBondContact O-N 2.79Å; P430-F434 WeakPolarHBondContact O-CB 3.16Å; P430-F434 PolarHBondContact O-N 2.89Å; P430-A471 HydrophobicContact CB-CB 4.23Å
431	G	98.7	Very high	96.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.6	-43.8	177.4	0	0	0	0	0	112.5	F427 E428 Q429 F434 R435 A471	F427-G431 PolarHBondContact O-N 2.92Å; F427-G431 VanDerWaalsContact O-N 3.11Å; E428-G431 PolarHBondContact O-N 3.41Å; Q429-G431 VanDerWaalsContact C-N 3.28Å; Q429-G431 PolarHBondContact O-N 3.24Å; G431-F434 PolarHBondContact O-N 3.02Å; G431-R435 VanDerWaalsContact C-CZ 3.4Å; G431-R435 WeakPolarHBondContact O-CG 3.04Å; G431-R435 VanDerWaalsContact O-CZ 3.26Å; G431-R435 PolarHBondContact O-N 3.46Å; G431-R435 PolarHBondContact O-NH1 3.38Å; G431-A471 VanDerWaalsContact CA-O 3.25Å; G431-A471 WeakPolarHBondContact CA-O 3.18Å
432	K	98.6	Very high	96.9	Very high	77 Å²	77	54.9 Å²	54.9	34%	0.335	28%	0.275	S	S	.	.	H	α-helix	trans	-63.3	-43.3	174.9	-71.9	-173	-169.1	175.4	0	111.7	Y285 E428 Q429 P430 F434 R435 L436	Y285-K432 HydrophobicContact CE1-CD 3.95Å; Y285-K432 WeakPolarHBondContact OH-CD 3.22Å; Y285-K432 WeakPolarHBondContact OH-CE 3.42Å; Y285-K432 PolarHBondContact OH-NZ 2.96Å; Y285-K432 VanDerWaalsContact OH-NZ 3.08Å; E428-K432 WeakPolarHBondContact O-CG 3.41Å; E428-K432 PolarHBondContact O-N 3.5Å; E428-K432 WeakPolarHBondContact OE1-CE 3.19Å; E428-K432 IonicContact OE1-NZ 3.79Å; E428-K432 PolarHBondContact OE1-NZ 3.15Å; Q429-K432 PolarHBondContact O-N 3.42Å; P430-K432 PolarHBondContact O-N 3.32Å; K432-F434 VanDerWaalsContact C-N 3.34Å; K432-F434 PolarHBondContact O-N 3.49Å; K432-R435 PolarHBondContact O-N 2.84Å; K432-L436 WeakPolarHBondContact O-CG 3.33Å; K432-L436 PolarHBondContact O-N 2.92Å
433	L	98.6	Very high	97.3	Very high	41 Å²	41	54.2 Å²	54.2	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-44.2	176.7	176	64	0	0	0	111.8	T178 I179 Q429 P430 L436 Q437	T178-L433 HydrophobicContact CG2-CD2 3.96Å; T178-L433 HydrophobicContact CG2-CG 4.39Å; I179-L433 HydrophobicContact CD1-CD2 4.27Å; I179-L433 HydrophobicContact CG1-CD2 3.41Å; I179-L433 VanDerWaalsContact CG1-CD2 3.41Å; Q429-L433 PolarHBondContact O-N 3.18Å; P430-L433 PolarHBondContact O-N 2.79Å; L433-L436 WeakPolarHBondContact O-CB 3.42Å; L433-L436 PolarHBondContact O-N 3.16Å; L433-Q437 PolarHBondContact O-NE2 2.97Å
434	F	98.8	Very high	97.7	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.013	28%	0.28	C	S	.	.	H	α-helix	trans	-60.9	-43.8	177.1	172.7	-100.8	0	0	0	111.9	P430 G431 K432 L436 Q437 K442 F446 D472 E474 Y475	P430-F434 WeakPolarHBondContact O-CB 3.16Å; P430-F434 PolarHBondContact O-N 2.89Å; G431-F434 PolarHBondContact O-N 3.02Å; K432-F434 VanDerWaalsContact C-N 3.34Å; K432-F434 PolarHBondContact O-N 3.49Å; F434-L436 PolarHBondContact O-N 3.21Å; F434-Q437 WeakPolarHBondContact O-CB 3.4Å; F434-Q437 WeakPolarHBondContact O-CG 3.18Å; F434-Q437 PolarHBondContact O-N 3.36Å; F434-Q437 VanDerWaalsContact O-N 3.1Å; F434-K442 HydrophobicContact CD2-CG 4.26Å; F434-K442 HydrophobicContact CE1-CD 4.23Å; F434-K442 HydrophobicContact CE2-CB 3.95Å; F434-K442 HydrophobicContact CE2-CD 3.98Å; F434-K442 HydrophobicContact CE2-CG 3.61Å; F434-K442 HydrophobicContact CZ-CB 4.29Å; F434-K442 HydrophobicContact CZ-CD 3.67Å; F434-K442 HydrophobicContact CZ-CG 3.87Å; F434-K442 WeakPolarHBondContact O-CE 3.37Å; F434-F446 AromaticContact CE2-CE1 3.52Å; F434-F446 HydrophobicContact CE2-CE1 3.52Å; F434-F446 AromaticContact CE2-CZ 3.72Å; F434-F446 HydrophobicContact CE2-CZ 3.72Å; F434-F446 AromaticContact CZ-CE1 3.88Å; F434-F446 HydrophobicContact CZ-CE1 3.88Å; F434-F446 AromaticContact CZ-CZ 3.71Å; F434-F446 HydrophobicContact CZ-CZ 3.71Å; F434-D472 HydrophobicContact CD1-CB 3.77Å; F434-D472 HydrophobicContact CE1-CB 4.17Å; F434-E474 HydrophobicContact CE1-CB 4.28Å; F434-Y475 HydrophobicContact CB-CD1 4.22Å; F434-Y475 HydrophobicContact CD1-CG 4.41Å; F434-Y475 HydrophobicContact CD2-CD1 4.11Å; F434-Y475 HydrophobicContact CD2-CD2 4.06Å; F434-Y475 AromaticContact CD2-CG 3.82Å; F434-Y475 HydrophobicContact CD2-CG 3.82Å; F434-Y475 HydrophobicContact CE2-CD2 4.01Å; F434-Y475 HydrophobicContact CE2-CG 4.01Å; F434-Y475 HydrophobicContact CG-CD1 4.07Å; F434-Y475 HydrophobicContact CG-CG 4.03Å; F434-Y475 HydrophobicContact CZ-CG 4.38Å
435	R	98.6	Very high	98	Very high	119 Å²	119	52.4 Å²	52.4	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-21.2	177.8	-73.5	-175.1	-69.5	-84.4	2.1	114.1	G431 K432 Q437 A471 D472	G431-R435 VanDerWaalsContact C-CZ 3.4Å; G431-R435 WeakPolarHBondContact O-CG 3.04Å; G431-R435 VanDerWaalsContact O-CZ 3.26Å; G431-R435 PolarHBondContact O-N 3.46Å; G431-R435 PolarHBondContact O-NH1 3.38Å; K432-R435 PolarHBondContact O-N 2.84Å; R435-Q437 VanDerWaalsContact C-N 3.32Å; R435-A471 PolarHBondContact NH1-O 3.06Å; R435-D472 VanDerWaalsContact CD-OD2 3.28Å; R435-D472 WeakPolarHBondContact CD-OD2 3.49Å; R435-D472 WeakPolarHBondContact CG-OD2 3.49Å; R435-D472 IonicContact CZ-OD2 2.84Å; R435-D472 IonicContact NE-OD2 3.08Å; R435-D472 IonicContact NH1-OD2 3.43Å; R435-D472 PolarHBondContact NH1-OD2 3.5Å
436	L	98.1	Very high	98.2	Very high	145 Å²	145	51.5 Å²	51.5	76%	0.759	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-14.6	174.8	-69.5	173.6	0	0	0	113.6	K432 L433 F434	K432-L436 WeakPolarHBondContact O-CG 3.33Å; K432-L436 PolarHBondContact O-N 2.92Å; L433-L436 WeakPolarHBondContact O-CB 3.42Å; L433-L436 PolarHBondContact O-N 3.16Å; F434-L436 PolarHBondContact O-N 3.21Å
437	Q	98.2	Very high	98.3	Very high	47 Å²	47	53.3 Å²	53.3	22%	0.22	26%	0.259	C	S	.	.	S	Bend	trans	-75.3	147.8	-178.7	-53.8	-51.9	-55.5	0	0	111.3	L433 F434 R435 A441 K442 I445	L433-Q437 PolarHBondContact O-NE2 2.97Å; F434-Q437 WeakPolarHBondContact O-CB 3.4Å; F434-Q437 WeakPolarHBondContact O-CG 3.18Å; F434-Q437 PolarHBondContact O-N 3.36Å; F434-Q437 VanDerWaalsContact O-N 3.1Å; R435-Q437 VanDerWaalsContact C-N 3.32Å; Q437-A441 HydrophobicContact CB-CB 4.06Å; Q437-K442 HydrophobicContact CB-CG 3.81Å; Q437-K442 WeakPolarHBondContact O-CE 3.42Å; Q437-I445 HydrophobicContact CG-CD1 3.81Å
438	S	97.9	Very high	98.4	Very high	71 Å²	71	52.5 Å²	52.5	50%	0.497	26%	0.256	S	S	.	.			trans	-68.2	161	166.1	62.9	0	0	0	0	110.7	D440 A441 K442	S438-D440 VanDerWaalsContact C-N 3.31Å; S438-D440 PolarHBondContact O-N 3.13Å; S438-A441 PolarHBondContact O-N 3.26Å; S438-A441 WeakPolarHBondContact OG-CB 3.44Å; S438-A441 PolarHBondContact OG-N 3.5Å; S438-K442 WeakPolarHBondContact O-CG 3.34Å; S438-K442 PolarHBondContact O-N 3.18Å
439	E	98.1	Very high	98.4	Very high	131 Å²	131	50 Å²	50	61%	0.612	24%	0.244	S	C	*	.	H	α-helix	trans	-58.4	-41	180	-61.6	-54.8	120.1	0	0	112.5	A441 K442 E443	E439-A441 VanDerWaalsContact C-N 3.31Å; E439-A441 PolarHBondContact O-N 3.05Å; E439-K442 WeakPolarHBondContact O-CB 3.4Å; E439-K442 PolarHBondContact O-N 2.81Å; E439-K442 IonicContact OE1-NZ 3.9Å; E439-K442 PolarHBondContact OE1-NZ 3.22Å; E439-E443 PolarHBondContact O-N 3.32Å
440	D	97.7	Very high	98.4	Very high	119 Å²	119	50.4 Å²	50.4	64%	0.636	25%	0.249	S	C	*	.	H	α-helix	trans	-64	-36	175.6	-61.7	-25.7	0	0	0	112.4	S438 R444	S438-D440 VanDerWaalsContact C-N 3.31Å; S438-D440 PolarHBondContact O-N 3.13Å; D440-R444 PolarHBondContact O-N 2.93Å; D440-R444 VanDerWaalsContact O-N 3.1Å; D440-R444 PolarHBondContact O-NH1 3.45Å
441	A	97.9	Very high	98.4	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.033	27%	0.269	C	S	.	.	H	α-helix	trans	-72.4	-34	176.7	0	0	0	0	0	111.8	Q437 S438 E439 R444 I445	Q437-A441 HydrophobicContact CB-CB 4.06Å; S438-A441 PolarHBondContact O-N 3.26Å; S438-A441 WeakPolarHBondContact OG-CB 3.44Å; S438-A441 PolarHBondContact OG-N 3.5Å; E439-A441 VanDerWaalsContact C-N 3.31Å; E439-A441 PolarHBondContact O-N 3.05Å; A441-R444 PolarHBondContact O-N 3.06Å; A441-I445 WeakPolarHBondContact O-CG1 3.42Å; A441-I445 PolarHBondContact O-N 3.09Å
442	K	98.7	Very high	98.4	Very high	31 Å²	31	55.7 Å²	55.7	14%	0.135	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-45.3	171.7	-67.7	176	-176.2	164.9	0	111.3	F434 Q437 S438 E439 R444 I445 F446	F434-K442 HydrophobicContact CD2-CG 4.26Å; F434-K442 HydrophobicContact CE1-CD 4.23Å; F434-K442 HydrophobicContact CE2-CB 3.95Å; F434-K442 HydrophobicContact CE2-CD 3.98Å; F434-K442 HydrophobicContact CE2-CG 3.61Å; F434-K442 HydrophobicContact CZ-CB 4.29Å; F434-K442 HydrophobicContact CZ-CD 3.67Å; F434-K442 HydrophobicContact CZ-CG 3.87Å; F434-K442 WeakPolarHBondContact O-CE 3.37Å; Q437-K442 HydrophobicContact CB-CG 3.81Å; Q437-K442 WeakPolarHBondContact O-CE 3.42Å; S438-K442 WeakPolarHBondContact O-CG 3.34Å; S438-K442 PolarHBondContact O-N 3.18Å; E439-K442 WeakPolarHBondContact O-CB 3.4Å; E439-K442 PolarHBondContact O-N 2.81Å; E439-K442 IonicContact OE1-NZ 3.9Å; E439-K442 PolarHBondContact OE1-NZ 3.22Å; K442-R444 VanDerWaalsContact C-N 3.32Å; K442-R444 PolarHBondContact O-N 3.32Å; K442-I445 WeakPolarHBondContact O-CB 3.49Å; K442-I445 PolarHBondContact O-N 3.18Å; K442-I445 VanDerWaalsContact O-N 3.12Å; K442-F446 HydrophobicContact CB-CE2 4.14Å; K442-F446 HydrophobicContact CB-CZ 3.96Å; K442-F446 WeakPolarHBondContact O-CD1 3.44Å; K442-F446 VanDerWaalsContact O-CD2 3.27Å; K442-F446 WeakPolarHBondContact O-CD2 3.45Å; K442-F446 WeakPolarHBondContact O-CG 3.3Å; K442-F446 PolarHBondContact O-N 3.1Å
443	E	98.5	Very high	98.4	Very high	94 Å²	94	52 Å²	52	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-59.3	-44.8	176.4	-171	64.8	-163.7	0	0	110.9	E439 I445 F446 T447	E439-E443 PolarHBondContact O-N 3.32Å; E443-I445 VanDerWaalsContact C-N 3.35Å; E443-I445 PolarHBondContact O-N 3.39Å; E443-F446 WeakPolarHBondContact O-CB 3.39Å; E443-F446 PolarHBondContact O-N 3.03Å; E443-F446 VanDerWaalsContact O-N 3.09Å; E443-T447 PolarHBondContact O-N 3.18Å; E443-T447 PolarHBondContact O-OG1 3.19Å; E443-T447 VanDerWaalsContact O-OG1 3.11Å
444	R	98.3	Very high	98.3	Very high	81 Å²	81	57.8 Å²	57.8	31%	0.306	29%	0.291	S	S	.	.	H	α-helix	trans	-60	-40.8	173.9	-74.6	-170.3	-61.9	-84.1	3.3	112.8	D183 D440 A441 K442 F446 T447 N448	D183-R444 IonicContact OD1-CZ 3.34Å; D183-R444 IonicContact OD1-NE 3.98Å; D183-R444 PolarHBondContact OD1-NE 3.47Å; D183-R444 IonicContact OD1-NH2 2.8Å; D183-R444 IonicContact OD2-CZ 2.78Å; D183-R444 IonicContact OD2-NE 3.67Å; D183-R444 PolarHBondContact OD2-NE 2.88Å; D183-R444 IonicContact OD2-NH2 3.65Å; D183-R444 PolarHBondContact OD2-NH2 2.9Å; D440-R444 PolarHBondContact O-N 2.93Å; D440-R444 VanDerWaalsContact O-N 3.1Å; D440-R444 PolarHBondContact O-NH1 3.45Å; A441-R444 PolarHBondContact O-N 3.06Å; K442-R444 VanDerWaalsContact C-N 3.32Å; K442-R444 PolarHBondContact O-N 3.32Å; R444-F446 VanDerWaalsContact C-N 3.29Å; R444-F446 PolarHBondContact O-N 3.25Å; R444-T447 PolarHBondContact O-N 3.07Å; R444-N448 VanDerWaalsContact O-CB 3.24Å; R444-N448 WeakPolarHBondContact O-CB 3.19Å; R444-N448 PolarHBondContact O-N 3.15Å; R444-N448 PolarHBondContact O-ND2 3.46Å; R444-N448 PolarHBondContact O-OD1 2.92Å
445	I	98.8	Very high	98.2	Very high	1 Å²	1	61 Å²	61	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-56.5	-45.7	173.3	-72.2	164.1	0	0	0	110.7	Q437 A441 K442 E443 T449 Y475	Q437-I445 HydrophobicContact CG-CD1 3.81Å; A441-I445 WeakPolarHBondContact O-CG1 3.42Å; A441-I445 PolarHBondContact O-N 3.09Å; K442-I445 WeakPolarHBondContact O-CB 3.49Å; K442-I445 PolarHBondContact O-N 3.18Å; K442-I445 VanDerWaalsContact O-N 3.12Å; E443-I445 VanDerWaalsContact C-N 3.35Å; E443-I445 PolarHBondContact O-N 3.39Å; I445-T449 WeakPolarHBondContact O-CB 3.49Å; I445-T449 PolarHBondContact O-N 3.48Å; I445-T449 PolarHBondContact O-OG1 3.35Å; I445-Y475 HydrophobicContact CG2-CE2 3.7Å
446	F	98.8	Very high	98.2	Very high	19 Å²	19	55.5 Å²	55.5	8%	0.083	31%	0.305	C	S	.	.	H	α-helix	trans	-64.6	-46.2	179.6	-48.4	-34.9	0	0	0	111.9	F434 K442 E443 R444 T449 A450 Y475 V479 A482	F434-F446 AromaticContact CE2-CE1 3.52Å; F434-F446 HydrophobicContact CE2-CE1 3.52Å; F434-F446 AromaticContact CE2-CZ 3.72Å; F434-F446 HydrophobicContact CE2-CZ 3.72Å; F434-F446 AromaticContact CZ-CE1 3.88Å; F434-F446 HydrophobicContact CZ-CE1 3.88Å; F434-F446 AromaticContact CZ-CZ 3.71Å; F434-F446 HydrophobicContact CZ-CZ 3.71Å; K442-F446 HydrophobicContact CB-CE2 4.14Å; K442-F446 HydrophobicContact CB-CZ 3.96Å; K442-F446 WeakPolarHBondContact O-CD1 3.44Å; K442-F446 VanDerWaalsContact O-CD2 3.27Å; K442-F446 WeakPolarHBondContact O-CD2 3.45Å; K442-F446 WeakPolarHBondContact O-CG 3.3Å; K442-F446 PolarHBondContact O-N 3.1Å; E443-F446 WeakPolarHBondContact O-CB 3.39Å; E443-F446 PolarHBondContact O-N 3.03Å; E443-F446 VanDerWaalsContact O-N 3.09Å; R444-F446 VanDerWaalsContact C-N 3.29Å; R444-F446 PolarHBondContact O-N 3.25Å; F446-T449 PolarHBondContact O-N 3.03Å; F446-A450 WeakPolarHBondContact O-CB 3.33Å; F446-A450 PolarHBondContact O-N 3.19Å; F446-Y475 HydrophobicContact CD1-CD2 4.22Å; F446-Y475 HydrophobicContact CD1-CE2 4.48Å; F446-Y475 AromaticContact CE1-CD2 3.81Å; F446-Y475 HydrophobicContact CE1-CD2 3.81Å; F446-Y475 HydrophobicContact CE1-CE2 4.42Å; F446-V479 HydrophobicContact CD1-CG2 3.9Å; F446-A482 HydrophobicContact CB-CB 3.86Å
447	T	98.5	Very high	98.2	Very high	49 Å²	49	51.4 Å²	51.4	30%	0.301	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-48.5	178.8	-55.1	0	0	0	0	111.7	E443 R444 T449 A450 N451	E443-T447 PolarHBondContact O-N 3.18Å; E443-T447 PolarHBondContact O-OG1 3.19Å; E443-T447 VanDerWaalsContact O-OG1 3.11Å; R444-T447 PolarHBondContact O-N 3.07Å; T447-T449 VanDerWaalsContact C-N 3.32Å; T447-T449 PolarHBondContact O-N 3.14Å; T447-A450 PolarHBondContact O-N 2.85Å; T447-N451 WeakPolarHBondContact O-CB 3.25Å; T447-N451 VanDerWaalsContact O-CG 3.24Å; T447-N451 PolarHBondContact O-N 2.94Å
448	N	98.7	Very high	98.1	Very high	9 Å²	9	53.6 Å²	53.6	5%	0.048	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-43.9	178.7	-63.4	-20.2	0	0	0	110.8	R108 M181 D228 R444 A452	R108-N448 PolarHBondContact NH2-ND2 2.9Å; R108-N448 PolarHBondContact NH2-OD1 2.85Å; M181-N448 HydrophobicContact CB-CB 4.49Å; M181-N448 WeakPolarHBondContact O-CB 3.47Å; M181-N448 PolarHBondContact O-ND2 3.19Å; M181-N448 HydrophobicContact SD-CB 4.44Å; D228-N448 PolarHBondContact OD2-OD1 3.43Å; R444-N448 VanDerWaalsContact O-CB 3.24Å; R444-N448 WeakPolarHBondContact O-CB 3.19Å; R444-N448 PolarHBondContact O-N 3.15Å; R444-N448 PolarHBondContact O-ND2 3.46Å; R444-N448 PolarHBondContact O-OD1 2.92Å; N448-A452 VanDerWaalsContact O-CB 3.25Å; N448-A452 WeakPolarHBondContact O-CB 3.4Å; N448-A452 PolarHBondContact O-N 2.93Å
449	T	98.8	Very high	97.9	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-47.2	174.8	-67.3	0	0	0	0	111.5	W164 M181 I445 F446 T447 A452 M453 H464 V479	W164-T449 HydrophobicContact CH2-CG2 3.98Å; W164-T449 HydrophobicContact CZ2-CG2 4.5Å; M181-T449 WeakPolarHBondContact CG-OG1 3.37Å; I445-T449 WeakPolarHBondContact O-CB 3.49Å; I445-T449 PolarHBondContact O-N 3.48Å; I445-T449 PolarHBondContact O-OG1 3.35Å; F446-T449 PolarHBondContact O-N 3.03Å; T447-T449 VanDerWaalsContact C-N 3.32Å; T447-T449 PolarHBondContact O-N 3.14Å; T449-A452 PolarHBondContact O-N 3.38Å; T449-M453 HydrophobicContact CG2-SD 4.14Å; T449-M453 WeakPolarHBondContact O-CG 3.37Å; T449-M453 PolarHBondContact O-N 3.05Å; T449-H464 WeakPolarHBondContact CG2-NE2 3.27Å; T449-V479 HydrophobicContact CG2-CG1 3.92Å; T449-V479 HydrophobicContact CG2-CG2 4.38Å
450	A	98.6	Very high	97.8	Very high	16 Å²	16	48 Å²	48	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-44.3	-179.2	0	0	0	0	0	112.4	F446 T447 A452 M453 E454 A482 L483	F446-A450 WeakPolarHBondContact O-CB 3.33Å; F446-A450 PolarHBondContact O-N 3.19Å; T447-A450 PolarHBondContact O-N 2.85Å; A450-A452 PolarHBondContact O-N 3.11Å; A450-M453 CarbonylContact O-C 3.59Å; A450-M453 PolarHBondContact O-N 3.27Å; A450-E454 PolarHBondContact O-N 2.99Å; A450-A482 HydrophobicContact CB-CB 3.76Å; A450-L483 HydrophobicContact CB-CD2 4.04Å; A450-L483 HydrophobicContact CB-CG 4.36Å
451	N	98.1	Very high	97.8	Very high	80 Å²	80	43.9 Å²	43.9	43%	0.428	25%	0.245	S	C	.	.	H	α-helix	trans	-60.5	-45	175.3	-68.9	-11.4	0	0	0	111.2	T447 M453 E454	T447-N451 WeakPolarHBondContact O-CB 3.25Å; T447-N451 VanDerWaalsContact O-CG 3.24Å; T447-N451 PolarHBondContact O-N 2.94Å; N451-M453 PolarHBondContact O-N 3.15Å; N451-E454 WeakPolarHBondContact O-CB 3.46Å; N451-E454 PolarHBondContact O-N 3.5Å
452	A	98.4	Very high	97.7	Very high	33 Å²	33	46.8 Å²	46.8	27%	0.273	26%	0.255	S	S	.	.	H	α-helix	trans	-67.1	-20.2	178.7	0	0	0	0	0	113.5	W164 M181 N448 T449 A450	W164-A452 HydrophobicContact CZ2-CB 3.81Å; W164-A452 VanDerWaalsContact NE1-C 3.34Å; W164-A452 PolarHBondContact NE1-O 3.3Å; M181-A452 HydrophobicContact CE-CB 4.39Å; M181-A452 HydrophobicContact SD-CB 4.1Å; N448-A452 VanDerWaalsContact O-CB 3.25Å; N448-A452 WeakPolarHBondContact O-CB 3.4Å; N448-A452 PolarHBondContact O-N 2.93Å; T449-A452 PolarHBondContact O-N 3.38Å; A450-A452 PolarHBondContact O-N 3.11Å
453	M	98.6	Very high	97.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	12.7	177.1	-67.3	-169.2	91.9	0	0	113.4	W164 T449 A450 N451 G455 V456 V460 K461 H464 L483	W164-M453 HydrophobicContact CB-CE 4.09Å; W164-M453 HydrophobicContact CD2-CE 3.86Å; W164-M453 HydrophobicContact CD2-CG 3.55Å; W164-M453 HydrophobicContact CD2-SD 4.06Å; W164-M453 HydrophobicContact CE3-CE 3.85Å; W164-M453 HydrophobicContact CE3-CG 4.09Å; W164-M453 HydrophobicContact CE3-SD 4.01Å; W164-M453 HydrophobicContact CG-CE 3.97Å; W164-M453 HydrophobicContact CG-CG 3.9Å; W164-M453 HydrophobicContact CH2-CG 4.17Å; W164-M453 HydrophobicContact CH2-SD 4.36Å; W164-M453 HydrophobicContact CZ2-CG 3.64Å; W164-M453 HydrophobicContact CZ2-SD 4.41Å; W164-M453 HydrophobicContact CZ3-CG 4.38Å; W164-M453 HydrophobicContact CZ3-SD 4.16Å; T449-M453 HydrophobicContact CG2-SD 4.14Å; T449-M453 WeakPolarHBondContact O-CG 3.37Å; T449-M453 PolarHBondContact O-N 3.05Å; A450-M453 CarbonylContact O-C 3.59Å; A450-M453 PolarHBondContact O-N 3.27Å; N451-M453 PolarHBondContact O-N 3.15Å; M453-G455 PolarHBondContact O-N 3.48Å; M453-V456 HydrophobicContact CB-CB 4.36Å; M453-V456 HydrophobicContact CB-CG2 4.19Å; M453-V456 HydrophobicContact CE-CG1 4Å; M453-V456 WeakPolarHBondContact O-CB 3.13Å; M453-V456 WeakPolarHBondContact O-CG2 3.32Å; M453-V456 PolarHBondContact O-N 3.31Å; M453-V456 VanDerWaalsContact O-N 3.1Å; M453-V460 HydrophobicContact CE-CG1 4.16Å; M453-K461 HydrophobicContact CE-CB 4.29Å; M453-K461 HydrophobicContact CE-CG 3.77Å; M453-K461 VanDerWaalsContact O-CE 3.25Å; M453-K461 WeakPolarHBondContact O-CE 3.16Å; M453-K461 HydrophobicContact SD-CG 4.35Å; M453-H464 HydrophobicContact CE-CB 4.02Å; M453-H464 HydrophobicContact SD-CB 4.26Å; M453-L483 HydrophobicContact CB-CD2 3.88Å; M453-L483 HydrophobicContact SD-CD1 4.1Å; M453-L483 HydrophobicContact SD-CD2 4.28Å
454	E	97	Very high	97.6	Very high	161 Å²	161	41.9 Å²	41.9	75%	0.752	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	129.8	172.9	-170.1	177.7	-175.5	0	0	110.4	A450 N451 V456	A450-E454 PolarHBondContact O-N 2.99Å; N451-E454 WeakPolarHBondContact O-CB 3.46Å; N451-E454 PolarHBondContact O-N 3.5Å; E454-V456 VanDerWaalsContact C-N 3.28Å; E454-V456 PolarHBondContact O-N 2.84Å
455	G	96.6	Very high	97.6	Very high	71 Å²	71	38 Å²	38	73%	0.732	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	-6.2	-177.3	0	0	0	0	0	116.3	M453	M453-G455 PolarHBondContact O-N 3.48Å
456	V	98.4	Very high	97.5	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	22%	0.223	C	C	.	.			trans	-72.5	143.7	177.5	179.5	0	0	0	0	111.2	A160 W164 M453 E454 V460 K461	A160-V456 HydrophobicContact CB-CG2 3.67Å; W164-V456 HydrophobicContact CB-CG1 4.2Å; W164-V456 HydrophobicContact CB-CG2 4.22Å; W164-V456 HydrophobicContact CG-CG2 4.25Å; M453-V456 HydrophobicContact CB-CB 4.36Å; M453-V456 HydrophobicContact CB-CG2 4.19Å; M453-V456 HydrophobicContact CE-CG1 4Å; M453-V456 WeakPolarHBondContact O-CB 3.13Å; M453-V456 WeakPolarHBondContact O-CG2 3.32Å; M453-V456 PolarHBondContact O-N 3.31Å; M453-V456 VanDerWaalsContact O-N 3.1Å; E454-V456 VanDerWaalsContact C-N 3.28Å; E454-V456 PolarHBondContact O-N 2.84Å; V456-V460 HydrophobicContact CG1-CB 3.63Å; V456-V460 HydrophobicContact CG1-CG1 3.46Å; V456-V460 VanDerWaalsContact CG1-CG1 3.46Å; V456-K461 HydrophobicContact CB-CG 4.37Å; V456-K461 HydrophobicContact CG1-CG 4.25Å; V456-K461 WeakPolarHBondContact O-CE 3.27Å; V456-K461 PolarHBondContact O-NZ 3.16Å
457	T	97.8	Very high	97.4	Very high	59 Å²	59	38.8 Å²	38.8	36%	0.362	22%	0.22	S	C	.	.			trans	-64	151.5	178.3	60.3	0	0	0	0	112.8	Q161 D459 V460 K461	Q161-T457 PolarHBondContact NE2-OG1 2.73Å; Q161-T457 VanDerWaalsContact NE2-OG1 3.1Å; Q161-T457 PolarHBondContact OE1-OG1 2.94Å; T457-D459 VanDerWaalsContact C-N 3.3Å; T457-D459 WeakPolarHBondContact CB-OD1 3.39Å; T457-D459 PolarHBondContact O-N 3.22Å; T457-D459 PolarHBondContact OG1-OD1 3.03Å; T457-V460 PolarHBondContact O-N 3.35Å; T457-K461 PolarHBondContact O-N 3.09Å
458	D	96	Very high	97.4	Very high	93 Å²	93	36.4 Å²	36.4	50%	0.497	21%	0.205	S	C	.	.	H	α-helix	trans	-63.7	-32.8	-175.7	-80.6	4.7	0	0	0	113.2	K461 R462	D458-K461 PolarHBondContact O-N 3.2Å; D458-R462 VanDerWaalsContact O-CB 3.32Å; D458-R462 WeakPolarHBondContact O-CB 3.07Å; D458-R462 WeakPolarHBondContact O-CD 3.34Å; D458-R462 WeakPolarHBondContact O-CG 3.41Å; D458-R462 PolarHBondContact O-N 3.48Å
459	D	93.8	Very high	97.4	Very high	84 Å²	84	38.8 Å²	38.8	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-63.9	-43.6	177.7	62.4	-65.7	0	0	0	111.6	T457 R462 R463	T457-D459 VanDerWaalsContact C-N 3.3Å; T457-D459 WeakPolarHBondContact CB-OD1 3.39Å; T457-D459 PolarHBondContact O-N 3.22Å; T457-D459 PolarHBondContact OG1-OD1 3.03Å; D459-R462 PolarHBondContact O-N 3.27Å; D459-R463 WeakPolarHBondContact O-CB 3.43Å; D459-R463 PolarHBondContact O-N 2.99Å; D459-R463 IonicContact OD2-NH2 2.73Å
460	V	95.8	Very high	97.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68.1	-41.4	175.8	172.7	0	0	0	0	111.2	W164 D165 T168 M453 V456 T457 R463 H464	W164-V460 HydrophobicContact CB-CG1 3.75Å; D165-V460 HydrophobicContact CB-CG2 4.08Å; T168-V460 HydrophobicContact CG2-CG1 4.04Å; M453-V460 HydrophobicContact CE-CG1 4.16Å; V456-V460 HydrophobicContact CG1-CB 3.63Å; V456-V460 HydrophobicContact CG1-CG1 3.46Å; V456-V460 VanDerWaalsContact CG1-CG1 3.46Å; T457-V460 PolarHBondContact O-N 3.35Å; V460-R463 WeakPolarHBondContact O-CB 3.42Å; V460-R463 PolarHBondContact O-N 3.37Å; V460-H464 PolarHBondContact O-N 3.4Å
461	K	97.8	Very high	97.3	Very high	33 Å²	33	41.3 Å²	41.3	14%	0.143	22%	0.223	C	C	.	.	H	α-helix	trans	-58.7	-47.4	173.3	-74.4	171.5	175.2	158.6	0	111.9	M453 V456 T457 D458 R463 H464 I465 L483 I485	M453-K461 HydrophobicContact CE-CB 4.29Å; M453-K461 HydrophobicContact CE-CG 3.77Å; M453-K461 VanDerWaalsContact O-CE 3.25Å; M453-K461 WeakPolarHBondContact O-CE 3.16Å; M453-K461 HydrophobicContact SD-CG 4.35Å; V456-K461 HydrophobicContact CB-CG 4.37Å; V456-K461 HydrophobicContact CG1-CG 4.25Å; V456-K461 WeakPolarHBondContact O-CE 3.27Å; V456-K461 PolarHBondContact O-NZ 3.16Å; T457-K461 PolarHBondContact O-N 3.09Å; D458-K461 PolarHBondContact O-N 3.2Å; K461-R463 VanDerWaalsContact C-N 3.34Å; K461-R463 PolarHBondContact O-N 2.96Å; K461-H464 PolarHBondContact O-N 3.06Å; K461-I465 WeakPolarHBondContact O-CG1 3.16Å; K461-I465 PolarHBondContact O-N 3.16Å; K461-L483 HydrophobicContact CB-CD1 4.28Å; K461-L483 HydrophobicContact CD-CD2 4.33Å; K461-L483 HydrophobicContact CG-CD1 4.36Å; K461-L483 HydrophobicContact CG-CD2 4.39Å; K461-I485 HydrophobicContact CB-CD1 3.69Å; K461-I485 HydrophobicContact CD-CD1 4.11Å; K461-I485 HydrophobicContact CG-CD1 4.5Å
462	R	96.2	Very high	97.3	Very high	65 Å²	65	38.4 Å²	38.4	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-40.4	177.4	-71.1	168.1	-177.1	-84	-7.3	111.5	D458 D459 I465 R466 S489 I490	D458-R462 VanDerWaalsContact O-CB 3.32Å; D458-R462 WeakPolarHBondContact O-CB 3.07Å; D458-R462 WeakPolarHBondContact O-CD 3.34Å; D458-R462 WeakPolarHBondContact O-CG 3.41Å; D458-R462 PolarHBondContact O-N 3.48Å; D459-R462 PolarHBondContact O-N 3.27Å; R462-I465 PolarHBondContact O-N 3.48Å; R462-R466 WeakPolarHBondContact O-CG 3.25Å; R462-R466 PolarHBondContact O-N 3.08Å; R462-S489 PolarHBondContact NH1-O 3.46Å; R462-S489 PolarHBondContact NH1-OG 2.86Å; R462-S489 PolarHBondContact NH2-OG 3.43Å; R462-I490 HydrophobicContact CG-CD1 4.19Å; R462-I490 HydrophobicContact CG-CG1 4.15Å
463	R	96	Very high	97.2	Very high	16 Å²	16	39.6 Å²	39.6	6%	0.06	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-48.4	173.4	-163.1	-179	-51.8	135.6	-2.4	111.6	D165 T168 D459 V460 K461 I465 R466 H467 D497 F503	D165-R463 IonicContact OD1-CZ 3.95Å; D165-R463 IonicContact OD1-NH1 3.6Å; D165-R463 PolarHBondContact OD1-NH1 3.42Å; D165-R463 IonicContact OD1-NH2 2.74Å; T168-R463 WeakPolarHBondContact O-CD 3.3Å; T168-R463 PolarHBondContact OG1-NH1 3.23Å; D459-R463 WeakPolarHBondContact O-CB 3.43Å; D459-R463 PolarHBondContact O-N 2.99Å; D459-R463 IonicContact OD2-NH2 2.73Å; V460-R463 WeakPolarHBondContact O-CB 3.42Å; V460-R463 PolarHBondContact O-N 3.37Å; K461-R463 VanDerWaalsContact C-N 3.34Å; K461-R463 PolarHBondContact O-N 2.96Å; R463-I465 PolarHBondContact O-N 3.11Å; R463-R466 PolarHBondContact O-N 2.84Å; R463-H467 PolarHBondContact O-CD2 3.3Å; R463-H467 PolarHBondContact O-N 3.13Å; R463-H467 VanDerWaalsContact O-N 3.15Å; R463-D497 HydrophobicContact CG-CB 3.99Å; R463-D497 WeakPolarHBondContact CG-OD2 3.24Å; R463-F503 VanDerWaalsContact CZ-CZ 3.43Å; R463-F503 VanDerWaalsContact NE-CZ 3.26Å; R463-F503 VanDerWaalsContact NH2-CE2 3.32Å
464	H	97.8	Very high	97.2	Very high	5 Å²	5	44.8 Å²	44.8	2%	0.023	24%	0.237	C	C	.	.	H	α-helix	trans	-62.3	-43.4	177.2	-170.6	45.6	0	0	0	112.9	W164 T168 T449 M453 V460 K461 R466 H467 C468	W164-H464 AromaticContact CH2-NE2 3.88Å; W164-H464 AromaticContact CZ3-CD2 3.67Å; W164-H464 AromaticContact CZ3-CE1 3.64Å; W164-H464 AromaticContact CZ3-CG 3.83Å; W164-H464 AromaticContact CZ3-ND1 3.8Å; W164-H464 AromaticContact CZ3-NE2 3.55Å; T168-H464 HydrophobicContact CG2-CB 3.65Å; T449-H464 WeakPolarHBondContact CG2-NE2 3.27Å; M453-H464 HydrophobicContact CE-CB 4.02Å; M453-H464 HydrophobicContact SD-CB 4.26Å; V460-H464 PolarHBondContact O-N 3.4Å; K461-H464 PolarHBondContact O-N 3.06Å; H464-R466 VanDerWaalsContact C-N 3.28Å; H464-R466 PolarHBondContact O-N 3.37Å; H464-H467 PolarHBondContact O-N 3.2Å; H464-C468 PolarHBondContact CE1-SG 3.44Å; H464-C468 PolarHBondContact NE2-SG 3.45Å; H464-C468 PolarHBondContact O-N 2.98Å; H464-C468 PolarHBondContact O-SG 2.86Å
465	I	98.1	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-42.1	177.7	-69.7	162.1	0	0	0	110.8	K461 R462 R463 C468 Y469 V479 A480 L483 I485 I487 I490	K461-I465 WeakPolarHBondContact O-CG1 3.16Å; K461-I465 PolarHBondContact O-N 3.16Å; R462-I465 PolarHBondContact O-N 3.48Å; R463-I465 PolarHBondContact O-N 3.11Å; I465-C468 PolarHBondContact O-N 3.4Å; I465-Y469 WeakPolarHBondContact O-CB 3.36Å; I465-Y469 PolarHBondContact O-N 3.48Å; I465-V479 HydrophobicContact CG1-CG1 3.99Å; I465-A480 HydrophobicContact CD1-CB 3.93Å; I465-A480 HydrophobicContact CG1-CB 4.24Å; I465-A480 HydrophobicContact CG2-CB 4Å; I465-L483 HydrophobicContact CD1-CD1 3.95Å; I465-L483 HydrophobicContact CG1-CD1 4.02Å; I465-I485 HydrophobicContact CD1-CB 4.09Å; I465-I485 HydrophobicContact CD1-CD1 3.84Å; I465-I485 HydrophobicContact CD1-CG2 4.18Å; I465-I487 HydrophobicContact CG2-CD1 4.47Å; I465-I487 HydrophobicContact CG2-CG1 4.39Å; I465-I490 HydrophobicContact CB-CD1 3.95Å; I465-I490 HydrophobicContact CD1-CD1 3.7Å; I465-I490 HydrophobicContact CG1-CD1 4.43Å; I465-I490 HydrophobicContact CG2-CD1 3.55Å
466	R	97.2	Very high	97.4	Very high	32 Å²	32	33.7 Å²	33.7	12%	0.121	17%	0.166	C	C	.	.	H	α-helix	trans	-64	-44.7	178.1	-69.8	-174.9	-62	-108.8	0.7	112.1	R462 R463 H464 C468 Y469 K470 I490 D491 L492 T494 D497	R462-R466 WeakPolarHBondContact O-CG 3.25Å; R462-R466 PolarHBondContact O-N 3.08Å; R463-R466 PolarHBondContact O-N 2.84Å; H464-R466 VanDerWaalsContact C-N 3.28Å; H464-R466 PolarHBondContact O-N 3.37Å; R466-C468 VanDerWaalsContact C-N 3.34Å; R466-C468 PolarHBondContact O-N 3.22Å; R466-Y469 PolarHBondContact O-N 3.02Å; R466-K470 WeakPolarHBondContact O-CG 3.45Å; R466-K470 PolarHBondContact O-N 3.37Å; R466-I490 HydrophobicContact CG-CG2 3.53Å; R466-D491 WeakPolarHBondContact CD-O 3.45Å; R466-L492 HydrophobicContact CG-CD2 4.19Å; R466-T494 VanDerWaalsContact CD-CG2 3.49Å; R466-D497 IonicContact CZ-OD1 3.07Å; R466-D497 IonicContact CZ-OD2 3.96Å; R466-D497 IonicContact NE-OD1 2.74Å; R466-D497 IonicContact NE-OD2 2.9Å; R466-D497 PolarHBondContact NE-OD2 3.45Å; R466-D497 IonicContact NH2-OD1 4Å; R466-D497 PolarHBondContact NH2-OD1 3.29Å; R466-D497 IonicContact NH2-OD2 3.86Å; R466-D497 PolarHBondContact NH2-OD2 3.25Å
467	H	97.4	Very high	97.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-58.8	-44.4	173.8	-66.2	-28.2	0	0	0	112.2	T168 L174 F427 R463 H464 Y469 K470 A471	T168-H467 PolarHBondContact O-NE2 2.72Å; L174-H467 HydrophobicContact CD1-CB 4.38Å; L174-H467 HydrophobicContact CD2-CB 4.22Å; L174-H467 VanDerWaalsContact CD2-O 3.28Å; L174-H467 WeakPolarHBondContact CD2-O 3.05Å; F427-H467 HydrophobicContact CE1-CB 3.94Å; F427-H467 AromaticContact CE1-ND1 3.7Å; F427-H467 AromaticContact CZ-ND1 3.73Å; R463-H467 PolarHBondContact O-CD2 3.3Å; R463-H467 PolarHBondContact O-N 3.13Å; R463-H467 VanDerWaalsContact O-N 3.15Å; H464-H467 PolarHBondContact O-N 3.2Å; H467-Y469 PolarHBondContact O-N 2.83Å; H467-K470 PolarHBondContact O-N 3.31Å; H467-A471 PolarHBondContact O-N 3.1Å
468	C	98.4	Very high	97.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-42.8	175.6	-64.9	0	0	0	0	111.6	H464 I465 R466 A471 D472 Y475	H464-C468 PolarHBondContact CE1-SG 3.44Å; H464-C468 PolarHBondContact NE2-SG 3.45Å; H464-C468 PolarHBondContact O-N 2.98Å; H464-C468 PolarHBondContact O-SG 2.86Å; I465-C468 PolarHBondContact O-N 3.4Å; R466-C468 VanDerWaalsContact C-N 3.34Å; R466-C468 PolarHBondContact O-N 3.22Å; C468-A471 WeakPolarHBondContact O-CB 3.45Å; C468-A471 PolarHBondContact O-N 2.89Å; C468-D472 PolarHBondContact O-N 3.34Å; C468-Y475 HydrophobicContact CB-CD1 3.99Å; C468-Y475 HydrophobicContact CB-CD2 3.98Å; C468-Y475 HydrophobicContact CB-CE1 4.27Å; C468-Y475 HydrophobicContact CB-CE2 4.26Å; C468-Y475 HydrophobicContact CB-CG 3.84Å
469	Y	97.9	Very high	97.6	Very high	58 Å²	58	30.9 Å²	30.9	23%	0.227	15%	0.147	C	C	.	.	H	α-helix	trans	-64.3	-40.9	179	-169.2	-92.3	0	0	0	112.4	I465 R466 H467 A471 D472 P473 I487 L492	I465-Y469 WeakPolarHBondContact O-CB 3.36Å; I465-Y469 PolarHBondContact O-N 3.48Å; R466-Y469 PolarHBondContact O-N 3.02Å; H467-Y469 PolarHBondContact O-N 2.83Å; Y469-A471 PolarHBondContact O-N 2.86Å; Y469-D472 CarbonylContact O-C 3.47Å; Y469-D472 VanDerWaalsContact O-C 3.27Å; Y469-D472 PolarHBondContact O-N 2.84Å; Y469-P473 HydrophobicContact CD2-CB 4.17Å; Y469-P473 HydrophobicContact CE2-CB 3.66Å; Y469-P473 HydrophobicContact CE2-CG 4.42Å; Y469-I487 HydrophobicContact CD2-CD1 3.83Å; Y469-I487 HydrophobicContact CE2-CD1 4.16Å; Y469-L492 HydrophobicContact CD1-CB 4.07Å; Y469-L492 HydrophobicContact CD1-CD1 4.03Å; Y469-L492 HydrophobicContact CD1-CD2 4.32Å; Y469-L492 HydrophobicContact CD1-CG 4.38Å; Y469-L492 HydrophobicContact CD2-CD1 3.95Å; Y469-L492 HydrophobicContact CD2-CD2 4.36Å; Y469-L492 HydrophobicContact CE1-CB 4.18Å; Y469-L492 HydrophobicContact CE1-CD1 3.81Å; Y469-L492 HydrophobicContact CE2-CD1 3.72Å; Y469-L492 HydrophobicContact CG-CD1 4.11Å; Y469-L492 HydrophobicContact CG-CD2 4.04Å; Y469-L492 HydrophobicContact CG-CG 4.49Å
470	K	96.7	Very high	97.8	Very high	60 Å²	60	27 Å²	27	26%	0.261	13%	0.127	S	C	.	.	H	α-helix	trans	-62	-31	173.6	-73.3	-177.5	176.5	-179.8	0	112.2	F427 R466 H467 T494 E498	F427-K470 HydrophobicContact CB-CB 4.27Å; F427-K470 HydrophobicContact CD1-CB 3.94Å; F427-K470 HydrophobicContact CD2-CB 3.75Å; F427-K470 HydrophobicContact CD2-CD 4.06Å; F427-K470 HydrophobicContact CE1-CB 4.21Å; F427-K470 HydrophobicContact CE1-CD 4.42Å; F427-K470 HydrophobicContact CE2-CB 4.02Å; F427-K470 HydrophobicContact CE2-CD 3.5Å; F427-K470 HydrophobicContact CE2-CG 4.38Å; F427-K470 HydrophobicContact CG-CB 3.71Å; F427-K470 HydrophobicContact CZ-CB 4.25Å; F427-K470 HydrophobicContact CZ-CD 3.71Å; R466-K470 WeakPolarHBondContact O-CG 3.45Å; R466-K470 PolarHBondContact O-N 3.37Å; H467-K470 PolarHBondContact O-N 3.31Å; K470-T494 PolarHBondContact NZ-O 2.62Å; K470-T494 VanDerWaalsContact NZ-O 3.1Å; K470-E498 IonicContact NZ-OE1 3.34Å; K470-E498 PolarHBondContact NZ-OE1 3.41Å
471	A	98.1	Very high	97.9	Very high	9 Å²	9	34.7 Å²	34.7	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-77.2	-45.1	174.7	0	0	0	0	0	113	L174 F427 P430 G431 R435 H467 C468 Y469 Y475	L174-A471 HydrophobicContact CD2-CB 3.74Å; F427-A471 HydrophobicContact CB-CB 4.16Å; F427-A471 WeakPolarHBondContact O-CA 3.44Å; F427-A471 WeakPolarHBondContact O-CB 3.26Å; P430-A471 HydrophobicContact CB-CB 4.23Å; G431-A471 VanDerWaalsContact CA-O 3.25Å; G431-A471 WeakPolarHBondContact CA-O 3.18Å; R435-A471 PolarHBondContact NH1-O 3.06Å; H467-A471 PolarHBondContact O-N 3.1Å; C468-A471 WeakPolarHBondContact O-CB 3.45Å; C468-A471 PolarHBondContact O-N 2.89Å; Y469-A471 PolarHBondContact O-N 2.86Å; A471-Y475 HydrophobicContact CB-CD1 4.49Å
472	D	98.4	Very high	97.9	Very high	20 Å²	20	35 Å²	35	11%	0.107	17%	0.169	C	C	.	.			trans	-159.7	129.3	172	-165.8	-70.7	0	0	0	110.4	F434 R435 C468 Y469 E474 Y475 G476	F434-D472 HydrophobicContact CD1-CB 3.77Å; F434-D472 HydrophobicContact CE1-CB 4.17Å; R435-D472 VanDerWaalsContact CD-OD2 3.28Å; R435-D472 WeakPolarHBondContact CD-OD2 3.49Å; R435-D472 WeakPolarHBondContact CG-OD2 3.49Å; R435-D472 IonicContact CZ-OD2 2.84Å; R435-D472 IonicContact NE-OD2 3.08Å; R435-D472 IonicContact NH1-OD2 3.43Å; R435-D472 PolarHBondContact NH1-OD2 3.5Å; C468-D472 PolarHBondContact O-N 3.34Å; Y469-D472 CarbonylContact O-C 3.47Å; Y469-D472 VanDerWaalsContact O-C 3.27Å; Y469-D472 PolarHBondContact O-N 2.84Å; D472-E474 PolarHBondContact O-N 3.34Å; D472-E474 PolarHBondContact OD1-N 3.36Å; D472-Y475 WeakPolarHBondContact O-CA 3.32Å; D472-Y475 VanDerWaalsContact O-CB 3.27Å; D472-Y475 WeakPolarHBondContact O-CB 3.35Å; D472-Y475 PolarHBondContact O-N 3.38Å; D472-G476 PolarHBondContact O-N 2.73Å; D472-G476 VanDerWaalsContact O-N 3.12Å
473	P	97.8	Very high	98	Very high	57 Å²	57	33.2 Å²	33.2	37%	0.37	16%	0.164	S	C	.	.	H	α-helix	trans	-55.7	-35.1	180	-30.3	37.1	0	0	0	114.6	Y469 Y475 K477	Y469-P473 HydrophobicContact CD2-CB 4.17Å; Y469-P473 HydrophobicContact CE2-CB 3.66Å; Y469-P473 HydrophobicContact CE2-CG 4.42Å; P473-Y475 VanDerWaalsContact C-N 3.32Å; P473-K477 VanDerWaalsContact O-CG 3.25Å; P473-K477 WeakPolarHBondContact O-CG 3.48Å; P473-K477 PolarHBondContact O-N 2.94Å
474	E	98.3	Very high	98.1	Very high	109 Å²	109	35.9 Å²	35.9	51%	0.509	20%	0.196	S	C	.	.	H	α-helix	trans	-73.1	-28	177.5	-64.8	-57.5	116.1	0	0	111.7	F434 D472 K477 G478	F434-E474 HydrophobicContact CE1-CB 4.28Å; D472-E474 PolarHBondContact O-N 3.34Å; D472-E474 PolarHBondContact OD1-N 3.36Å; E474-K477 WeakPolarHBondContact OE1-CD 3.43Å; E474-K477 IonicContact OE1-NZ 2.68Å; E474-K477 PolarHBondContact OE1-NZ 3.16Å; E474-G478 PolarHBondContact O-N 2.89Å
475	Y	98.7	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-50.9	172.4	-170.2	-175.1	0	0	0	110.4	T178 F434 I445 F446 C468 A471 D472 P473 K477 G478 V479	T178-Y475 HydrophobicContact CG2-CE1 4.1Å; T178-Y475 PolarHBondContact OG1-OH 3.33Å; F434-Y475 HydrophobicContact CB-CD1 4.22Å; F434-Y475 HydrophobicContact CD1-CG 4.41Å; F434-Y475 HydrophobicContact CD2-CD1 4.11Å; F434-Y475 HydrophobicContact CD2-CD2 4.06Å; F434-Y475 AromaticContact CD2-CG 3.82Å; F434-Y475 HydrophobicContact CD2-CG 3.82Å; F434-Y475 HydrophobicContact CE2-CD2 4.01Å; F434-Y475 HydrophobicContact CE2-CG 4.01Å; F434-Y475 HydrophobicContact CG-CD1 4.07Å; F434-Y475 HydrophobicContact CG-CG 4.03Å; F434-Y475 HydrophobicContact CZ-CG 4.38Å; I445-Y475 HydrophobicContact CG2-CE2 3.7Å; F446-Y475 HydrophobicContact CD1-CD2 4.22Å; F446-Y475 HydrophobicContact CD1-CE2 4.48Å; F446-Y475 AromaticContact CE1-CD2 3.81Å; F446-Y475 HydrophobicContact CE1-CD2 3.81Å; F446-Y475 HydrophobicContact CE1-CE2 4.42Å; C468-Y475 HydrophobicContact CB-CD1 3.99Å; C468-Y475 HydrophobicContact CB-CD2 3.98Å; C468-Y475 HydrophobicContact CB-CE1 4.27Å; C468-Y475 HydrophobicContact CB-CE2 4.26Å; C468-Y475 HydrophobicContact CB-CG 3.84Å; A471-Y475 HydrophobicContact CB-CD1 4.49Å; D472-Y475 WeakPolarHBondContact O-CA 3.32Å; D472-Y475 VanDerWaalsContact O-CB 3.27Å; D472-Y475 WeakPolarHBondContact O-CB 3.35Å; D472-Y475 PolarHBondContact O-N 3.38Å; P473-Y475 VanDerWaalsContact C-N 3.32Å; Y475-K477 VanDerWaalsContact C-N 3.34Å; Y475-K477 PolarHBondContact O-N 3.11Å; Y475-G478 PolarHBondContact O-N 2.9Å; Y475-V479 HydrophobicContact CD2-CG2 3.67Å; Y475-V479 HydrophobicContact CE2-CG2 3.5Å; Y475-V479 VanDerWaalsContact CE2-CG2 3.5Å; Y475-V479 WeakPolarHBondContact O-CG2 3.31Å; Y475-V479 PolarHBondContact O-N 3.16Å
476	G	98.5	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-57	-44.9	176.5	0	0	0	0	0	112.9	D472 A480	D472-G476 PolarHBondContact O-N 2.73Å; D472-G476 VanDerWaalsContact O-N 3.12Å; G476-A480 VanDerWaalsContact O-CB 3.27Å; G476-A480 WeakPolarHBondContact O-CB 3.44Å; G476-A480 PolarHBondContact O-N 3.44Å
477	K	98.4	Very high	98	Very high	87 Å²	87	40.9 Å²	40.9	38%	0.378	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-43.4	177.4	-70.2	170.7	-163.6	168.7	0	112.9	P473 E474 Y475 A480 K481 I487	P473-K477 VanDerWaalsContact O-CG 3.25Å; P473-K477 WeakPolarHBondContact O-CG 3.48Å; P473-K477 PolarHBondContact O-N 2.94Å; E474-K477 WeakPolarHBondContact OE1-CD 3.43Å; E474-K477 IonicContact OE1-NZ 2.68Å; E474-K477 PolarHBondContact OE1-NZ 3.16Å; Y475-K477 VanDerWaalsContact C-N 3.34Å; Y475-K477 PolarHBondContact O-N 3.11Å; K477-A480 PolarHBondContact O-N 2.84Å; K477-K481 VanDerWaalsContact O-CB 3.31Å; K477-K481 WeakPolarHBondContact O-CB 3.32Å; K477-K481 PolarHBondContact O-N 2.81Å; K477-I487 HydrophobicContact CB-CD1 4.35Å; K477-I487 HydrophobicContact CG-CD1 3.68Å
478	G	98.6	Very high	97.9	Very high	10 Å²	10	47.4 Å²	47.4	10%	0.103	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-47.6	178.4	0	0	0	0	0	112.1	E474 Y475 K481 A482	E474-G478 PolarHBondContact O-N 2.89Å; Y475-G478 PolarHBondContact O-N 2.9Å; G478-K481 PolarHBondContact O-N 2.99Å; G478-A482 WeakPolarHBondContact O-CB 3.32Å; G478-A482 PolarHBondContact O-N 3.24Å
479	V	98.7	Very high	97.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.6	-44.4	176.5	174.1	0	0	0	0	111.5	F446 T449 I465 Y475 K481 A482 L483	F446-V479 HydrophobicContact CD1-CG2 3.9Å; T449-V479 HydrophobicContact CG2-CG1 3.92Å; T449-V479 HydrophobicContact CG2-CG2 4.38Å; I465-V479 HydrophobicContact CG1-CG1 3.99Å; Y475-V479 HydrophobicContact CD2-CG2 3.67Å; Y475-V479 HydrophobicContact CE2-CG2 3.5Å; Y475-V479 VanDerWaalsContact CE2-CG2 3.5Å; Y475-V479 WeakPolarHBondContact O-CG2 3.31Å; Y475-V479 PolarHBondContact O-N 3.16Å; V479-K481 VanDerWaalsContact C-N 3.34Å; V479-K481 PolarHBondContact O-N 3.19Å; V479-A482 PolarHBondContact O-N 3.35Å; V479-L483 HydrophobicContact CG1-CD1 3.63Å; V479-L483 HydrophobicContact CG1-CG 4.31Å; V479-L483 WeakPolarHBondContact O-CB 2.98Å; V479-L483 WeakPolarHBondContact O-CG 3.13Å; V479-L483 PolarHBondContact O-N 3.14Å
480	A	98.5	Very high	97.5	Very high	2 Å²	2	48.1 Å²	48.1	2%	0.017	27%	0.272	C	S	.	.	H	α-helix	trans	-59.1	-45.1	177.3	0	0	0	0	0	111.9	I465 G476 K477 L483 G484 I485 I487	I465-A480 HydrophobicContact CD1-CB 3.93Å; I465-A480 HydrophobicContact CG1-CB 4.24Å; I465-A480 HydrophobicContact CG2-CB 4Å; G476-A480 VanDerWaalsContact O-CB 3.27Å; G476-A480 WeakPolarHBondContact O-CB 3.44Å; G476-A480 PolarHBondContact O-N 3.44Å; K477-A480 PolarHBondContact O-N 2.84Å; A480-L483 PolarHBondContact O-N 2.96Å; A480-G484 PolarHBondContact O-N 2.64Å; A480-G484 VanDerWaalsContact O-N 3.11Å; A480-I485 CarbonylContact C-O 3.5Å; A480-I485 PolarHBondContact O-N 3.49Å; A480-I487 HydrophobicContact CB-CB 3.96Å; A480-I487 HydrophobicContact CB-CD1 4.37Å; A480-I487 HydrophobicContact CB-CG1 4.24Å
481	K	98.5	Very high	97.3	Very high	162 Å²	162	50.1 Å²	50.1	70%	0.704	29%	0.286	S	S	*	.	H	α-helix	trans	-60.7	-47.4	175.8	-179.3	-172.1	170.7	-158.9	0	111.5	K477 G478 V479 L483 G484	K477-K481 VanDerWaalsContact O-CB 3.31Å; K477-K481 WeakPolarHBondContact O-CB 3.32Å; K477-K481 PolarHBondContact O-N 2.81Å; G478-K481 PolarHBondContact O-N 2.99Å; V479-K481 VanDerWaalsContact C-N 3.34Å; V479-K481 PolarHBondContact O-N 3.19Å; K481-L483 VanDerWaalsContact C-N 3.3Å; K481-L483 PolarHBondContact O-N 3.02Å; K481-G484 PolarHBondContact O-N 3.09Å; K481-G484 VanDerWaalsContact O-N 3.1Å
482	A	98.5	Very high	97	Very high	39 Å²	39	51 Å²	51	32%	0.322	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-33.3	179.9	0	0	0	0	0	112.7	F446 A450 G478 V479 G484	F446-A482 HydrophobicContact CB-CB 3.86Å; A450-A482 HydrophobicContact CB-CB 3.76Å; G478-A482 WeakPolarHBondContact O-CB 3.32Å; G478-A482 PolarHBondContact O-N 3.24Å; V479-A482 PolarHBondContact O-N 3.35Å; A482-G484 VanDerWaalsContact C-N 3.29Å; A482-G484 PolarHBondContact O-N 3.32Å
483	L	98.2	Very high	96.2	Very high	28 Å²	28	57.4 Å²	57.4	15%	0.147	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-6	174.3	-70.9	170.4	0	0	0	114	A450 M453 K461 I465 V479 A480 K481 I485	A450-L483 HydrophobicContact CB-CD2 4.04Å; A450-L483 HydrophobicContact CB-CG 4.36Å; M453-L483 HydrophobicContact CB-CD2 3.88Å; M453-L483 HydrophobicContact SD-CD1 4.1Å; M453-L483 HydrophobicContact SD-CD2 4.28Å; K461-L483 HydrophobicContact CB-CD1 4.28Å; K461-L483 HydrophobicContact CD-CD2 4.33Å; K461-L483 HydrophobicContact CG-CD1 4.36Å; K461-L483 HydrophobicContact CG-CD2 4.39Å; I465-L483 HydrophobicContact CD1-CD1 3.95Å; I465-L483 HydrophobicContact CG1-CD1 4.02Å; V479-L483 HydrophobicContact CG1-CD1 3.63Å; V479-L483 HydrophobicContact CG1-CG 4.31Å; V479-L483 WeakPolarHBondContact O-CB 2.98Å; V479-L483 WeakPolarHBondContact O-CG 3.13Å; V479-L483 PolarHBondContact O-N 3.14Å; A480-L483 PolarHBondContact O-N 2.96Å; K481-L483 VanDerWaalsContact C-N 3.3Å; K481-L483 PolarHBondContact O-N 3.02Å; L483-I485 VanDerWaalsContact C-N 3.31Å; L483-I485 HydrophobicContact CB-CD1 4.14Å; L483-I485 HydrophobicContact CB-CG1 4.24Å; L483-I485 PolarHBondContact O-N 3.1Å
484	G	97.6	Very high	95.6	Very high	71 Å²	71	55.6 Å²	55.6	73%	0.732	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	24.5	-176.4	0	0	0	0	0	114.3	A480 K481 A482	A480-G484 PolarHBondContact O-N 2.64Å; A480-G484 VanDerWaalsContact O-N 3.11Å; K481-G484 PolarHBondContact O-N 3.09Å; K481-G484 VanDerWaalsContact O-N 3.1Å; A482-G484 VanDerWaalsContact C-N 3.29Å; A482-G484 PolarHBondContact O-N 3.32Å
485	I	97.5	Very high	94.4	Very high	20 Å²	20	57.1 Å²	57.1	10%	0.103	31%	0.313	C	S	.	.			trans	-103.6	127	-179.4	-63.2	173	0	0	0	109.3	K461 I465 A480 L483 I487 I490	K461-I485 HydrophobicContact CB-CD1 3.69Å; K461-I485 HydrophobicContact CD-CD1 4.11Å; K461-I485 HydrophobicContact CG-CD1 4.5Å; I465-I485 HydrophobicContact CD1-CB 4.09Å; I465-I485 HydrophobicContact CD1-CD1 3.84Å; I465-I485 HydrophobicContact CD1-CG2 4.18Å; A480-I485 CarbonylContact C-O 3.5Å; A480-I485 PolarHBondContact O-N 3.49Å; L483-I485 VanDerWaalsContact C-N 3.31Å; L483-I485 HydrophobicContact CB-CD1 4.14Å; L483-I485 HydrophobicContact CB-CG1 4.24Å; L483-I485 PolarHBondContact O-N 3.1Å; I485-I487 PolarHBondContact O-N 2.59Å; I485-I487 VanDerWaalsContact O-N 3.14Å; I485-I490 HydrophobicContact CG2-CD1 3.89Å; I485-I490 HydrophobicContact CG2-CG1 4.24Å
486	D	96.9	Very high	93.3	Very high	96 Å²	96	60.6 Å²	60.6	51%	0.513	33%	0.332	S	S	.	.			trans	-66.9	112.5	170.6	179.7	7.5	0	0	0	109.5	N488 S489	D486-N488 PolarHBondContact O-N 3.39Å; D486-N488 WeakPolarHBondContact OD1-CB 3.38Å; D486-N488 PolarHBondContact OD1-N 3.46Å; D486-N488 PolarHBondContact OD1-ND2 3.44Å; D486-S489 WeakPolarHBondContact O-CB 3.4Å; D486-S489 PolarHBondContact O-N 2.78Å; D486-S489 PolarHBondContact O-OG 2.77Å
487	I	95.6	Very high	92.1	Very high	27 Å²	27	61 Å²	61	14%	0.138	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-60.5	-27.5	-178.7	-161.8	172	0	0	0	112.3	I465 Y469 K477 A480 I485 S489 I490 L492	I465-I487 HydrophobicContact CG2-CD1 4.47Å; I465-I487 HydrophobicContact CG2-CG1 4.39Å; Y469-I487 HydrophobicContact CD2-CD1 3.83Å; Y469-I487 HydrophobicContact CE2-CD1 4.16Å; K477-I487 HydrophobicContact CB-CD1 4.35Å; K477-I487 HydrophobicContact CG-CD1 3.68Å; A480-I487 HydrophobicContact CB-CB 3.96Å; A480-I487 HydrophobicContact CB-CD1 4.37Å; A480-I487 HydrophobicContact CB-CG1 4.24Å; I485-I487 PolarHBondContact O-N 2.59Å; I485-I487 VanDerWaalsContact O-N 3.14Å; I487-S489 PolarHBondContact O-N 2.79Å; I487-I490 WeakPolarHBondContact O-CB 3.44Å; I487-I490 PolarHBondContact O-N 3.11Å; I487-I490 VanDerWaalsContact O-N 3.09Å; I487-L492 HydrophobicContact CD1-CD1 4.2Å; I487-L492 HydrophobicContact CD1-CD2 4.3Å; I487-L492 HydrophobicContact CG1-CD1 4.08Å; I487-L492 HydrophobicContact CG1-CD2 3.99Å
488	N	94.9	Very high	90.5	Very high	141 Å²	141	59.1 Å²	59.1	75%	0.754	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-71.7	-12.4	177.5	-54.4	-68.2	0	0	0	112.8	D486 I490	D486-N488 PolarHBondContact O-N 3.39Å; D486-N488 WeakPolarHBondContact OD1-CB 3.38Å; D486-N488 PolarHBondContact OD1-N 3.46Å; D486-N488 PolarHBondContact OD1-ND2 3.44Å; N488-I490 VanDerWaalsContact C-N 3.27Å
489	S	94.5	Very high	89	Confident	59 Å²	59	60 Å²	60	41%	0.413	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-84.3	-1.3	172.5	77.3	0	0	0	0	113.2	R462 D486 I487	R462-S489 PolarHBondContact NH1-O 3.46Å; R462-S489 PolarHBondContact NH1-OG 2.86Å; R462-S489 PolarHBondContact NH2-OG 3.43Å; D486-S489 WeakPolarHBondContact O-CB 3.4Å; D486-S489 PolarHBondContact O-N 2.78Å; D486-S489 PolarHBondContact O-OG 2.77Å; I487-S489 PolarHBondContact O-N 2.79Å
490	I	93.7	Very high	87.3	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.067	35%	0.349	C	S	.	.	S	Bend	trans	-106.8	130.5	-176.5	-51.9	178.6	0	0	0	108.7	R462 I465 R466 I485 I487 N488 L492	R462-I490 HydrophobicContact CG-CD1 4.19Å; R462-I490 HydrophobicContact CG-CG1 4.15Å; I465-I490 HydrophobicContact CB-CD1 3.95Å; I465-I490 HydrophobicContact CD1-CD1 3.7Å; I465-I490 HydrophobicContact CG1-CD1 4.43Å; I465-I490 HydrophobicContact CG2-CD1 3.55Å; R466-I490 HydrophobicContact CG-CG2 3.53Å; I485-I490 HydrophobicContact CG2-CD1 3.89Å; I485-I490 HydrophobicContact CG2-CG1 4.24Å; I487-I490 WeakPolarHBondContact O-CB 3.44Å; I487-I490 PolarHBondContact O-N 3.11Å; I487-I490 VanDerWaalsContact O-N 3.09Å; N488-I490 VanDerWaalsContact C-N 3.27Å; I490-L492 HydrophobicContact CB-CD2 4.09Å; I490-L492 HydrophobicContact CG2-CD2 3.92Å; I490-L492 PolarHBondContact O-N 3.43Å
491	D	92.9	Very high	85.6	Confident	102 Å²	102	73.3 Å²	73.3	55%	0.545	39%	0.388	S	S	.	.			trans	-72.6	90.6	165.7	-179.8	13	0	0	0	109.6	R466 E493 T494	R466-D491 WeakPolarHBondContact CD-O 3.45Å; D491-E493 PolarHBondContact O-N 3.34Å; D491-E493 PolarHBondContact OD1-N 2.94Å; D491-T494 PolarHBondContact O-N 3.06Å
492	L	91.2	Very high	83.9	Confident	29 Å²	29	69 Å²	69	15%	0.152	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.2	-176.3	-62.6	174.2	0	0	0	113.5	R466 Y469 I487 I490	R466-L492 HydrophobicContact CG-CD2 4.19Å; Y469-L492 HydrophobicContact CD1-CB 4.07Å; Y469-L492 HydrophobicContact CD1-CD1 4.03Å; Y469-L492 HydrophobicContact CD1-CD2 4.32Å; Y469-L492 HydrophobicContact CD1-CG 4.38Å; Y469-L492 HydrophobicContact CD2-CD1 3.95Å; Y469-L492 HydrophobicContact CD2-CD2 4.36Å; Y469-L492 HydrophobicContact CE1-CB 4.18Å; Y469-L492 HydrophobicContact CE1-CD1 3.81Å; Y469-L492 HydrophobicContact CE2-CD1 3.72Å; Y469-L492 HydrophobicContact CG-CD1 4.11Å; Y469-L492 HydrophobicContact CG-CD2 4.04Å; Y469-L492 HydrophobicContact CG-CG 4.49Å; I487-L492 HydrophobicContact CD1-CD1 4.2Å; I487-L492 HydrophobicContact CD1-CD2 4.3Å; I487-L492 HydrophobicContact CG1-CD1 4.08Å; I487-L492 HydrophobicContact CG1-CD2 3.99Å; I490-L492 HydrophobicContact CB-CD2 4.09Å; I490-L492 HydrophobicContact CG2-CD2 3.92Å; I490-L492 PolarHBondContact O-N 3.43Å
493	E	83.7	Confident	82.4	Confident	154 Å²	154	69.1 Å²	69.1	72%	0.72	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	3.3	-176.4	-58.3	-59.6	142.9	0	0	112.4	D491 E495	D491-E493 PolarHBondContact O-N 3.34Å; D491-E493 PolarHBondContact OD1-N 2.94Å; E493-E495 PolarHBondContact O-N 3.36Å
494	T	83.7	Confident	80.4	Confident	18 Å²	18	76.6 Å²	76.6	11%	0.11	40%	0.401	C	S	.	.			trans	-65.6	134.8	179.6	-163.2	0	0	0	0	112.1	R466 K470 D491 N496	R466-T494 VanDerWaalsContact CD-CG2 3.49Å; K470-T494 PolarHBondContact NZ-O 2.62Å; K470-T494 VanDerWaalsContact NZ-O 3.1Å; D491-T494 PolarHBondContact O-N 3.06Å; T494-N496 WeakPolarHBondContact OG1-CB 3.39Å; T494-N496 PolarHBondContact OG1-N 3.3Å
495	E	74	Confident	78.2	Confident	142 Å²	142	86.2 Å²	86.2	66%	0.664	42%	0.422	S	S	*	.			trans	-93.1	-1.6	170.8	-64.1	-177.9	175.1	0	0	111.7	E493 D497 E498 N502	E493-E495 PolarHBondContact O-N 3.36Å; E495-D497 PolarHBondContact O-N 2.9Å; E495-D497 VanDerWaalsContact O-N 3.11Å; E495-E498 PolarHBondContact O-N 2.89Å; E495-N502 PolarHBondContact O-ND2 3.1Å
496	N	74.8	Confident	77.2	Confident	73 Å²	73	89.6 Å²	89.6	39%	0.39	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-11.8	-175.2	-70.1	-12.7	0	0	0	113.9	T494 N502 F503	T494-N496 WeakPolarHBondContact OG1-CB 3.39Å; T494-N496 PolarHBondContact OG1-N 3.3Å; N496-N502 HydrophobicContact CB-CB 4.19Å; N496-N502 VanDerWaalsContact O-CB 3.24Å; N496-N502 WeakPolarHBondContact O-CB 3.05Å; N496-F503 VanDerWaalsContact O-CD1 3.31Å; N496-F503 WeakPolarHBondContact O-CD1 3.31Å; N496-F503 WeakPolarHBondContact O-CE1 3.49Å
497	D	74.2	Confident	76.1	Confident	8 Å²	8	89.2 Å²	89.2	4%	0.043	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-7.8	-175.8	-74.3	-9.4	0	0	0	114.8	R463 R466 E495	R463-D497 HydrophobicContact CG-CB 3.99Å; R463-D497 WeakPolarHBondContact CG-OD2 3.24Å; R466-D497 IonicContact CZ-OD1 3.07Å; R466-D497 IonicContact CZ-OD2 3.96Å; R466-D497 IonicContact NE-OD1 2.74Å; R466-D497 IonicContact NE-OD2 2.9Å; R466-D497 PolarHBondContact NE-OD2 3.45Å; R466-D497 IonicContact NH2-OD1 4Å; R466-D497 PolarHBondContact NH2-OD1 3.29Å; R466-D497 IonicContact NH2-OD2 3.86Å; R466-D497 PolarHBondContact NH2-OD2 3.25Å; E495-D497 PolarHBondContact O-N 2.9Å; E495-D497 VanDerWaalsContact O-N 3.11Å
498	E	65.2	Low	75.1	Confident	48 Å²	48	92.7 Å²	92.7	22%	0.224	45%	0.451	C	S	.	.	S	Bend	trans	-83.1	-18.6	-170.7	-63.3	-177	-172.4	0	0	112.7	R420 K470 E495	R420-E498 PolarHBondContact NE-O 2.92Å; R420-E498 PolarHBondContact NH1-O 3.32Å; K470-E498 IonicContact NZ-OE1 3.34Å; K470-E498 PolarHBondContact NZ-OE1 3.41Å; E495-E498 PolarHBondContact O-N 2.89Å
499	T	65.5	Low	73.9	Confident	29 Å²	29	89.8 Å²	89.8	18%	0.178	43%	0.433	C	S	.	.			trans	-141	143.5	173.5	74.3	0	0	0	0	110.5	E501 N502 F503	T499-E501 PolarHBondContact O-N 3.26Å; T499-E501 PolarHBondContact OG1-N 3.31Å; T499-N502 PolarHBondContact O-N 3.34Å; T499-N502 PolarHBondContact OG1-N 3.23Å; T499-N502 PolarHBondContact OG1-ND2 3.05Å; T499-N502 PolarHBondContact OG1-OD1 3.5Å; T499-F503 WeakPolarHBondContact O-CD1 3.46Å; T499-F503 WeakPolarHBondContact O-CE1 3.33Å
500	Y	64.2	Low	72.6	Confident	100 Å²	100	91.8 Å²	91.8	39%	0.392	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-59.1	-23.4	169	-79.8	-82	0	0	0	112.7	D165 G169 N502 F503	D165-Y500 PolarHBondContact O-OH 2.95Å; G169-Y500 WeakPolarHBondContact O-CE2 3.35Å; Y500-N502 PolarHBondContact O-N 3.35Å; Y500-F503 AromaticContact CD1-CD2 3.41Å; Y500-F503 HydrophobicContact CD1-CD2 3.41Å; Y500-F503 VanDerWaalsContact CD1-CD2 3.41Å; Y500-F503 AromaticContact CD1-CE2 3.12Å; Y500-F503 HydrophobicContact CD1-CE2 3.12Å; Y500-F503 HydrophobicContact CD1-CG 4.42Å; Y500-F503 AromaticContact CD1-CZ 3.93Å; Y500-F503 HydrophobicContact CD1-CZ 3.93Å; Y500-F503 AromaticContact CE1-CD2 3.97Å; Y500-F503 HydrophobicContact CE1-CD2 3.97Å; Y500-F503 AromaticContact CE1-CE2 3.32Å; Y500-F503 HydrophobicContact CE1-CE2 3.32Å; Y500-F503 HydrophobicContact CE1-CZ 4.16Å; Y500-F503 HydrophobicContact CG-CD2 4.23Å; Y500-F503 AromaticContact CG-CE2 3.9Å; Y500-F503 HydrophobicContact CG-CE2 3.9Å; Y500-F503 HydrophobicContact CG-CZ 4.3Å; Y500-F503 PolarHBondContact O-N 3.17Å
501	E	63.1	Low	71.2	Confident	181 Å²	181	97 Å²	97	85%	0.846	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-65.2	-26.2	176.7	-63.6	-179.2	170.5	0	0	111.9	T499	T499-E501 PolarHBondContact O-N 3.26Å; T499-E501 PolarHBondContact OG1-N 3.31Å
502	N	63	Low	69.7	Low	72 Å²	72	96.6 Å²	96.6	39%	0.385	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-89.8	-4.6	178.3	-62.4	-10.6	0	0	0	113.2	E495 N496 T499 Y500 E504	E495-N502 PolarHBondContact O-ND2 3.1Å; N496-N502 HydrophobicContact CB-CB 4.19Å; N496-N502 VanDerWaalsContact O-CB 3.24Å; N496-N502 WeakPolarHBondContact O-CB 3.05Å; T499-N502 PolarHBondContact O-N 3.34Å; T499-N502 PolarHBondContact OG1-N 3.23Å; T499-N502 PolarHBondContact OG1-ND2 3.05Å; T499-N502 PolarHBondContact OG1-OD1 3.5Å; Y500-N502 PolarHBondContact O-N 3.35Å; N502-E504 PolarHBondContact O-N 3.29Å
503	F	65.7	Low	68	Low	41 Å²	41	101.8 Å²	101.8	18%	0.18	48%	0.476	C	S	.	.	S	Bend	trans	-70.4	124.7	177.5	-66.3	3.2	0	0	0	108.9	R463 N496 T499 Y500 K505	R463-F503 VanDerWaalsContact CZ-CZ 3.43Å; R463-F503 VanDerWaalsContact NE-CZ 3.26Å; R463-F503 VanDerWaalsContact NH2-CE2 3.32Å; N496-F503 VanDerWaalsContact O-CD1 3.31Å; N496-F503 WeakPolarHBondContact O-CD1 3.31Å; N496-F503 WeakPolarHBondContact O-CE1 3.49Å; T499-F503 WeakPolarHBondContact O-CD1 3.46Å; T499-F503 WeakPolarHBondContact O-CE1 3.33Å; Y500-F503 AromaticContact CD1-CD2 3.41Å; Y500-F503 HydrophobicContact CD1-CD2 3.41Å; Y500-F503 VanDerWaalsContact CD1-CD2 3.41Å; Y500-F503 AromaticContact CD1-CE2 3.12Å; Y500-F503 HydrophobicContact CD1-CE2 3.12Å; Y500-F503 HydrophobicContact CD1-CG 4.42Å; Y500-F503 AromaticContact CD1-CZ 3.93Å; Y500-F503 HydrophobicContact CD1-CZ 3.93Å; Y500-F503 AromaticContact CE1-CD2 3.97Å; Y500-F503 HydrophobicContact CE1-CD2 3.97Å; Y500-F503 AromaticContact CE1-CE2 3.32Å; Y500-F503 HydrophobicContact CE1-CE2 3.32Å; Y500-F503 HydrophobicContact CE1-CZ 4.16Å; Y500-F503 HydrophobicContact CG-CD2 4.23Å; Y500-F503 AromaticContact CG-CE2 3.9Å; Y500-F503 HydrophobicContact CG-CE2 3.9Å; Y500-F503 HydrophobicContact CG-CZ 4.3Å; Y500-F503 PolarHBondContact O-N 3.17Å; F503-K505 PolarHBondContact O-N 3.14Å; F503-K505 VanDerWaalsContact O-N 3.14Å
504	E	56.7	Low	66.7	Low	185 Å²	185	97.5 Å²	97.5	86%	0.864	46%	0.455	S	S	*	.			trans	-56.8	121.1	170.4	-71.2	-171.1	163.9	0	0	108.5	N502	N502-E504 PolarHBondContact O-N 3.29Å
505	K	50.1	Low	65.1	Low	273 Å²	273	104.7 Å²	104.7	100%	1.187	49%	0.487	S	S	*	.			trans	-80.4	0	-178.4	-74.2	-173.5	-179.7	176.9	0	113	F503	F503-K505 PolarHBondContact O-N 3.14Å; F503-K505 VanDerWaalsContact O-N 3.14Å

Retrieved 505 of 505 residues in 788.1 ms (Link to these results)

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