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Carboxypeptidase

Protective protein appears to be essential for both the activity of beta-galactosidase and neuraminidase, it associates with these enzymes and exerts a protective function necessary for their stability and activity. This protein is also a carboxypeptidase and can deamidate tachykinins.

AlphaFold DB , UniProt , Accession A0A060WYC3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ctsa, Length 471 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	38.2	Very low	38.4	Very low	221 Å²	221	154.2 Å²	154.2	100%	1.089	81%	0.807	S	S	*	*				0	89	0	-103.1	-179.6	-90.5	0	0	107.9
2	Y	33.4	Very low	38.5	Very low	236 Å²	236	149.8 Å²	149.8	93%	0.925	81%	0.81	S	S	*	*			trans	-123.1	105.1	168.3	-83.9	-83.9	0	0	0	105.3
3	H	36.2	Very low	38.9	Very low	175 Å²	175	151.9 Å²	151.9	81%	0.81	82%	0.819	S	S	*	*			trans	-87.2	109.9	174.8	-83.1	-67.5	0	0	0	108.7	V5	H3-V5 PolarHBondContact O-N 3.34Å
4	L	38.1	Very low	39	Very low	153 Å²	153	145.1 Å²	145.1	80%	0.801	80%	0.802	S	S	*	*			trans	-73.3	112.3	165.1	-150.9	86.6	0	0	0	107.1	L6	L4-L6 HydrophobicContact CD2-CD1 3.83Å; L4-L6 PolarHBondContact O-N 3.22Å
5	V	39	Very low	39.4	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	80%	0.802	S	S	*	*			trans	-90.2	102.3	169.5	178.4	0	0	0	0	107.1	H3 S7	H3-V5 PolarHBondContact O-N 3.34Å; V5-S7 PolarHBondContact O-N 2.97Å
6	L	37.2	Very low	40.5	Very low	131 Å²	131	144.4 Å²	144.4	69%	0.686	80%	0.801	S	S	*	*			trans	-84.7	102.6	170.9	-138.4	95.8	0	0	0	107.7	L4 L8	L4-L6 HydrophobicContact CD2-CD1 3.83Å; L4-L6 PolarHBondContact O-N 3.22Å; L6-L8 PolarHBondContact O-N 3.18Å
7	S	38.3	Very low	42.1	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	78%	0.778	S	S	*	*			trans	-78.9	97.6	171.2	-59.8	0	0	0	0	109.1	V5 L9	V5-S7 PolarHBondContact O-N 2.97Å; S7-L9 PolarHBondContact O-N 3.03Å; S7-L9 VanDerWaalsContact O-N 3.14Å
8	L	38.5	Very low	44.6	Very low	133 Å²	133	131.3 Å²	131.3	70%	0.696	74%	0.74	S	S	*	*			trans	-69.6	95.8	165.7	-87.2	150.3	0	0	0	109.1	L6 F10	L6-L8 PolarHBondContact O-N 3.18Å; L8-F10 VanDerWaalsContact C-N 3.32Å; L8-F10 HydrophobicContact CB-CD2 4.43Å; L8-F10 HydrophobicContact CD2-CD2 4.24Å; L8-F10 HydrophobicContact CD2-CE2 4.02Å; L8-F10 PolarHBondContact O-N 2.77Å; L8-F10 VanDerWaalsContact O-N 3.14Å
9	L	38.8	Very low	47.1	Very low	170 Å²	170	125.8 Å²	125.8	89%	0.89	71%	0.71	S	S	*	*			trans	-76.2	87.8	161.6	-93	151.8	0	0	0	107.9	S7 G11	S7-L9 PolarHBondContact O-N 3.03Å; S7-L9 VanDerWaalsContact O-N 3.14Å; L9-G11 PolarHBondContact O-N 2.94Å
10	F	43.3	Very low	49.3	Very low	180 Å²	180	125.4 Å²	125.4	79%	0.789	71%	0.706	S	S	*	*			trans	-70.1	123	164	-103.7	-88.4	0	0	0	108.8	L8	L8-F10 VanDerWaalsContact C-N 3.32Å; L8-F10 HydrophobicContact CB-CD2 4.43Å; L8-F10 HydrophobicContact CD2-CD2 4.24Å; L8-F10 HydrophobicContact CD2-CE2 4.02Å; L8-F10 PolarHBondContact O-N 2.77Å; L8-F10 VanDerWaalsContact O-N 3.14Å
11	G	42	Very low	51.5	Low	70 Å²	70	124.8 Å²	124.8	72%	0.722	71%	0.705	S	S	*	*			trans	-66.2	147.4	177.4	0	0	0	0	0	112.9	L9	L9-G11 PolarHBondContact O-N 2.94Å
12	A	38.8	Very low	54.4	Low	101 Å²	101	115.7 Å²	115.7	84%	0.835	66%	0.661	S	S	*	*			trans	-123.1	79	150.9	0	0	0	0	0	106.7	G14	A12-G14 PolarHBondContact O-N 3.35Å
13	L	43.4	Very low	57.5	Low	178 Å²	178	106.6 Å²	106.6	93%	0.932	63%	0.627	S	S	*	*			trans	-69.8	82	152.9	-88.5	149.2	0	0	0	105.1	T15	L13-T15 PolarHBondContact O-N 2.9Å
14	G	41.4	Very low	60.5	Low	56 Å²	56	98.7 Å²	98.7	58%	0.577	59%	0.59	S	S	*	*			trans	-58.8	119.3	170.1	0	0	0	0	0	107.3	A12 L16	A12-G14 PolarHBondContact O-N 3.35Å; G14-L16 PolarHBondContact O-N 2.72Å
15	T	44	Very low	63.2	Low	132 Å²	132	99.2 Å²	99.2	81%	0.81	59%	0.586	S	S	*	*			trans	-61.2	91.8	158.9	49.4	0	0	0	0	105.8	L13 G17	L13-T15 PolarHBondContact O-N 2.9Å; T15-G17 PolarHBondContact O-N 2.55Å
16	L	56.8	Low	66	Low	148 Å²	148	99.4 Å²	99.4	78%	0.775	58%	0.577	S	S	*	*			trans	-60.9	119.1	169.7	-76.9	145.9	0	0	0	105.7	G14 P154	G14-L16 PolarHBondContact O-N 2.72Å; L16-P154 WeakPolarHBondContact O-CD 3.42Å; L16-P154 VanDerWaalsContact O-CG 3.23Å; L16-P154 WeakPolarHBondContact O-CG 3.35Å
17	G	69.1	Low	69	Low	40 Å²	40	93.2 Å²	93.2	41%	0.412	55%	0.545	S	S	.	.			trans	-68.5	-169.4	167	0	0	0	0	0	110.4	T15	T15-G17 PolarHBondContact O-N 2.55Å
18	A	85.8	Confident	71.8	Confident	12 Å²	12	89.5 Å²	89.5	10%	0.099	52%	0.518	C	S	.	.	S	Bend	trans	-35.7	136.2	179	0	0	0	0	0	114.3	D20 Y39 F153 E155	A18-D20 PolarHBondContact O-N 3.41Å; A18-Y39 HydrophobicContact CB-CE1 3.8Å; A18-Y39 HydrophobicContact CB-CE2 4.42Å; A18-Y39 WeakPolarHBondContact CB-OH 3.32Å; A18-F153 HydrophobicContact CB-CD1 3.55Å; A18-F153 HydrophobicContact CB-CE1 3.64Å; A18-E155 WeakPolarHBondContact CB-OE1 3.21Å; A18-E155 PolarHBondContact N-OE1 2.95Å
19	P	91.9	Very high	74.7	Confident	27 Å²	27	84.5 Å²	84.5	18%	0.175	50%	0.499	C	S	.	.			trans	-66.4	103.6	-177.4	27	-34.1	0	0	0	111.1	V21 D22 A152 F153	P19-V21 HydrophobicContact CB-CG2 4.15Å; P19-V21 PolarHBondContact O-N 3.18Å; P19-D22 HydrophobicContact CB-CB 4.32Å; P19-D22 HydrophobicContact CG-CB 3.99Å; P19-D22 PolarHBondContact O-N 3.35Å; P19-A152 WeakPolarHBondContact CD-O 3.08Å; P19-A152 HydrophobicContact CG-CB 4.39Å; P19-F153 HydrophobicContact CG-CE1 4.35Å; P19-F153 HydrophobicContact CG-CE2 4.1Å; P19-F153 HydrophobicContact CG-CZ 3.81Å
20	D	92.4	Very high	77.5	Confident	117 Å²	117	77.1 Å²	77.1	63%	0.626	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.4	176.9	-71.7	-22.4	0	0	0	113.3	A18 D22	A18-D20 PolarHBondContact O-N 3.41Å; D20-D22 VanDerWaalsContact C-N 3.31Å
21	V	95.6	Very high	80	Confident	113 Å²	113	77.4 Å²	77.4	69%	0.685	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25	178.1	-66.6	0	0	0	0	113.2	P19 H343	P19-V21 HydrophobicContact CB-CG2 4.15Å; P19-V21 PolarHBondContact O-N 3.18Å; V21-H343 PolarHBondContact O-CE1 3.49Å
22	D	98.3	Very high	82.6	Confident	31 Å²	31	81.6 Å²	81.6	17%	0.166	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.1	-179.6	-67.1	1.6	0	0	0	111.5	P19 D20 I24 Y39 S40 Y53 H343	P19-D22 HydrophobicContact CB-CB 4.32Å; P19-D22 HydrophobicContact CG-CB 3.99Å; P19-D22 PolarHBondContact O-N 3.35Å; D20-D22 VanDerWaalsContact C-N 3.31Å; D22-I24 PolarHBondContact O-N 2.83Å; D22-Y39 HydrophobicContact CB-CD1 4.37Å; D22-Y39 CarbonylContact O-C 3.6Å; D22-Y39 VanDerWaalsContact O-CA 3.24Å; D22-Y39 WeakPolarHBondContact O-CA 3.43Å; D22-S40 WeakPolarHBondContact CB-O 3.31Å; D22-S40 PolarHBondContact O-N 2.75Å; D22-Y53 WeakPolarHBondContact CB-OH 3.48Å; D22-Y53 PolarHBondContact OD2-OH 3.15Å; D22-H343 PolarHBondContact O-CD2 3.2Å; D22-H343 VanDerWaalsContact O-CD2 3.31Å; D22-H343 PolarHBondContact O-NE2 2.04Å
23	E	98.6	Very high	85.4	Confident	44 Å²	44	79.2 Å²	79.2	21%	0.206	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-64.1	127.8	-177.5	-170.1	178.9	-153.9	0	0	111.4	K25 Y39 H343	E23-K25 PolarHBondContact O-N 2.76Å; E23-Y39 HydrophobicContact CB-CD1 3.92Å; E23-Y39 HydrophobicContact CB-CE1 3.77Å; E23-Y39 HydrophobicContact CG-CD1 4.47Å; E23-Y39 HydrophobicContact CG-CE1 4.12Å; E23-H343 PolarHBondContact O-NE2 3.48Å
24	I	98.7	Very high	87.9	Confident	9 Å²	9	72 Å²	72	5%	0.046	40%	0.398	C	S	.	.			trans	-84.6	96.7	174.7	-53.5	160.2	0	0	0	108.2	D22 L27 Q38 W54 A341 L342	D22-I24 PolarHBondContact O-N 2.83Å; I24-L27 HydrophobicContact CG2-CB 4.07Å; I24-L27 HydrophobicContact CG2-CD1 4.21Å; I24-Q38 HydrophobicContact CB-CG 4.04Å; I24-Q38 HydrophobicContact CD1-CB 4.27Å; I24-Q38 HydrophobicContact CD1-CG 4.14Å; I24-Q38 PolarHBondContact N-O 3.21Å; I24-W54 HydrophobicContact CD1-CD2 4.28Å; I24-W54 HydrophobicContact CD1-CG 4.45Å; I24-W54 HydrophobicContact CD1-CZ2 3.88Å; I24-A341 HydrophobicContact CG2-CB 4.49Å; I24-L342 HydrophobicContact CD1-CD2 3.52Å; I24-L342 HydrophobicContact CG1-CD2 4.1Å
25	K	96	Very high	90.5	Very high	164 Å²	164	76 Å²	76	71%	0.713	41%	0.406	S	S	*	.	S	Bend	trans	-75.5	-31.2	-177.2	-62.6	-178.3	-178.2	176.4	0	113.8	E23	E23-K25 PolarHBondContact O-N 2.76Å
26	F	98.1	Very high	93.1	Very high	130 Å²	130	70.4 Å²	70.4	57%	0.57	37%	0.37	S	S	*	.			trans	-146.8	118	178.7	-179.5	-89	0	0	0	109	P28 Q33 A341	F26-P28 HydrophobicContact CE1-CG 4.42Å; F26-Q33 HydrophobicContact CD2-CG 3.9Å; F26-Q33 HydrophobicContact CE2-CG 4.24Å; F26-Q33 VanDerWaalsContact CE2-NE2 3.34Å; F26-A341 VanDerWaalsContact O-CB 3.31Å; F26-A341 WeakPolarHBondContact O-CB 3.08Å
27	L	98.5	Very high	95.1	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.353	C	S	.	.			trans	-101.7	119	176.4	-173.1	67.7	0	0	0	110	I24 L30 Q33 W54 F90 L99 Y332 L342	I24-L27 HydrophobicContact CG2-CB 4.07Å; I24-L27 HydrophobicContact CG2-CD1 4.21Å; L27-L30 HydrophobicContact CB-CD1 4.17Å; L27-L30 HydrophobicContact CD2-CD1 3.98Å; L27-L30 HydrophobicContact CD2-CG 4.48Å; L27-Q33 PolarHBondContact O-NE2 2.83Å; L27-W54 HydrophobicContact CD1-CH2 3.79Å; L27-W54 HydrophobicContact CD1-CZ2 3.93Å; L27-W54 HydrophobicContact CD2-CH2 3.92Å; L27-W54 HydrophobicContact CD2-CZ2 3.73Å; L27-W54 HydrophobicContact CG-CZ2 4.5Å; L27-F90 HydrophobicContact CD2-CD2 4.16Å; L27-F90 HydrophobicContact CD2-CE1 3.95Å; L27-F90 HydrophobicContact CD2-CE2 3.51Å; L27-F90 HydrophobicContact CD2-CZ 3.42Å; L27-F90 VanDerWaalsContact CD2-CZ 3.42Å; L27-L99 HydrophobicContact CD2-CD1 3.55Å; L27-L99 HydrophobicContact CG-CD1 4.1Å; L27-Y332 WeakPolarHBondContact CD1-OH 3.34Å; L27-Y332 WeakPolarHBondContact CG-OH 3.48Å; L27-L342 HydrophobicContact CD1-CD2 4.09Å
28	P	98.6	Very high	96.5	Very high	24 Å²	24	66 Å²	66	16%	0.156	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	151.4	175.7	-24.3	34.5	0	0	0	112.6	F26 L30 Y332 V338 A341	F26-P28 HydrophobicContact CE1-CG 4.42Å; P28-L30 VanDerWaalsContact C-N 3.32Å; P28-L30 PolarHBondContact O-N 2.87Å; P28-Y332 WeakPolarHBondContact O-CE2 3.29Å; P28-Y332 PolarHBondContact O-OH 3.39Å; P28-V338 HydrophobicContact CB-CG2 3.93Å; P28-V338 HydrophobicContact CG-CG2 4Å; P28-A341 HydrophobicContact CG-CB 4.46Å
29	G	98.1	Very high	97.1	Very high	28 Å²	28	65.5 Å²	65.5	29%	0.289	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.6	-16	177.9	0	0	0	0	0	115.2	M97 L99	G29-M97 WeakPolarHBondContact CA-O 3.33Å; G29-L99 PolarHBondContact O-N 2.86Å
30	L	98.1	Very high	97.5	Very high	15 Å²	15	64.2 Å²	64.2	8%	0.079	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-85.3	129	172.7	-73.5	175.9	0	0	0	111.9	L27 P28 K32 F90 L99 Y101	L27-L30 HydrophobicContact CB-CD1 4.17Å; L27-L30 HydrophobicContact CD2-CD1 3.98Å; L27-L30 HydrophobicContact CD2-CG 4.48Å; P28-L30 VanDerWaalsContact C-N 3.32Å; P28-L30 PolarHBondContact O-N 2.87Å; L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.01Å; L30-F90 HydrophobicContact CD1-CD1 4.17Å; L30-F90 HydrophobicContact CD1-CE1 4.42Å; L30-F90 HydrophobicContact CD2-CB 4.04Å; L30-F90 HydrophobicContact CD2-CD1 4.32Å; L30-F90 HydrophobicContact CD2-CG 4.3Å; L30-L99 HydrophobicContact CD2-CB 3.64Å; L30-L99 HydrophobicContact CD2-CD1 4.35Å; L30-L99 HydrophobicContact CG-CB 4.06Å; L30-L99 HydrophobicContact CG-CD1 4.1Å; L30-Y101 HydrophobicContact CD2-CD2 4.37Å; L30-Y101 HydrophobicContact CD2-CE2 3.98Å
31	Q	95.1	Very high	97.8	Very high	187 Å²	187	58.7 Å²	58.7	87%	0.874	29%	0.292	S	S	*	.	S	Bend	trans	-67.2	-29.7	171.2	-65.2	-63.4	-27.1	0	0	112.5
32	K	96.9	Very high	97.9	Very high	157 Å²	157	55.3 Å²	55.3	68%	0.683	27%	0.267	S	S	*	.	S	Bend	trans	-137.9	125.4	177.3	-176.4	-177	175.8	-174	0	109.4	L30 Y101	L30-K32 VanDerWaalsContact C-N 3.27Å; L30-K32 PolarHBondContact O-N 3.01Å; K32-Y101 WeakPolarHBondContact O-CE2 3.39Å; K32-Y101 PolarHBondContact O-OH 2.9Å
33	Q	97.6	Very high	97.9	Very high	52 Å²	52	54.2 Å²	54.2	24%	0.243	26%	0.261	C	S	.	.			trans	-65.7	146.6	177.1	-64.8	-58.9	-42.6	0	0	111.3	F26 L27	F26-Q33 HydrophobicContact CD2-CG 3.9Å; F26-Q33 HydrophobicContact CE2-CG 4.24Å; F26-Q33 VanDerWaalsContact CE2-NE2 3.34Å; L27-Q33 PolarHBondContact O-NE2 2.83Å
34	P	97.3	Very high	97.9	Very high	26 Å²	26	57 Å²	57	17%	0.169	28%	0.277	C	S	.	.			trans	-66.3	152.7	-175.1	27.4	-33.8	0	0	0	111.9	F36 Q38 Y101	P34-F36 HydrophobicContact CB-CD1 3.98Å; P34-F36 HydrophobicContact CB-CD2 4.22Å; P34-F36 HydrophobicContact CB-CE1 3.62Å; P34-F36 HydrophobicContact CB-CE2 3.86Å; P34-F36 HydrophobicContact CB-CG 4.27Å; P34-F36 HydrophobicContact CB-CZ 3.53Å; P34-F36 HydrophobicContact CG-CE2 4.49Å; P34-F36 HydrophobicContact CG-CZ 4.49Å; P34-Q38 HydrophobicContact CG-CG 4.46Å; P34-Y101 WeakPolarHBondContact CA-OH 3.36Å
35	N	95.6	Very high	97.8	Very high	141 Å²	141	57.4 Å²	57.4	75%	0.754	28%	0.28	S	S	*	.	S	Bend	trans	-95.8	4.2	174.4	66.5	-25.2	0	0	0	113
36	F	98.2	Very high	97.7	Very high	14 Å²	14	51.9 Å²	51.9	6%	0.061	27%	0.265	C	S	.	.	S	Bend	trans	-113.9	152.6	170.4	54.3	-91.3	0	0	0	108.3	P34 V56 Q59 P89 Y101 N107	P34-F36 HydrophobicContact CB-CD1 3.98Å; P34-F36 HydrophobicContact CB-CD2 4.22Å; P34-F36 HydrophobicContact CB-CE1 3.62Å; P34-F36 HydrophobicContact CB-CE2 3.86Å; P34-F36 HydrophobicContact CB-CG 4.27Å; P34-F36 HydrophobicContact CB-CZ 3.53Å; P34-F36 HydrophobicContact CG-CE2 4.49Å; P34-F36 HydrophobicContact CG-CZ 4.49Å; F36-V56 HydrophobicContact CE2-CB 4.4Å; F36-Q59 HydrophobicContact CD1-CB 4.32Å; F36-Q59 HydrophobicContact CD1-CG 3.66Å; F36-Q59 HydrophobicContact CE1-CG 3.88Å; F36-Q59 HydrophobicContact CG-CG 4.3Å; F36-P89 HydrophobicContact CE1-CB 4.4Å; F36-P89 HydrophobicContact CE2-CB 4.09Å; F36-P89 HydrophobicContact CE2-CG 4.12Å; F36-P89 HydrophobicContact CZ-CB 3.51Å; F36-P89 HydrophobicContact CZ-CG 4.01Å; F36-Y101 HydrophobicContact CE1-CE1 4.39Å; F36-N107 WeakPolarHBondContact CE2-ND2 3.37Å
37	K	98.6	Very high	97.2	Very high	93 Å²	93	47.8 Å²	47.8	40%	0.404	26%	0.26	S	S	.	.			trans	-79	154.7	179.3	-58.8	-171.4	177.3	-172.2	0	111.4	Y39 E57	K37-Y39 HydrophobicContact CB-CE2 3.7Å; K37-Y39 HydrophobicContact CD-CE2 4.32Å; K37-Y39 WeakPolarHBondContact CD-OH 3.36Å; K37-E57 HydrophobicContact CB-CG 4.18Å; K37-E57 WeakPolarHBondContact CB-OE2 3.32Å; K37-E57 WeakPolarHBondContact O-CB 3.48Å; K37-E57 PolarHBondContact O-N 2.85Å
38	Q	98.8	Very high	96.9	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	147.1	175.1	46.7	164.9	-1.4	0	0	109.6	I24 P34 F55 V56 F90	I24-Q38 HydrophobicContact CB-CG 4.04Å; I24-Q38 HydrophobicContact CD1-CB 4.27Å; I24-Q38 HydrophobicContact CD1-CG 4.14Å; I24-Q38 PolarHBondContact N-O 3.21Å; P34-Q38 HydrophobicContact CG-CG 4.46Å; Q38-F55 CarbonylContact C-O 3.53Å; Q38-F55 WeakPolarHBondContact CA-O 3.38Å; Q38-V56 HydrophobicContact CB-CB 4.43Å; Q38-V56 HydrophobicContact CB-CG1 3.87Å; Q38-F90 VanDerWaalsContact OE1-CZ 3.31Å
39	Y	98.9	Very high	96.9	Very high	1 Å²	1	52.4 Å²	52.4	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	142.3	-170.5	-59.4	-98	0	0	0	109.1	A18 D22 E23 K37 W54 F55 E57 F153	A18-Y39 HydrophobicContact CB-CE1 3.8Å; A18-Y39 HydrophobicContact CB-CE2 4.42Å; A18-Y39 WeakPolarHBondContact CB-OH 3.32Å; D22-Y39 HydrophobicContact CB-CD1 4.37Å; D22-Y39 CarbonylContact O-C 3.6Å; D22-Y39 VanDerWaalsContact O-CA 3.24Å; D22-Y39 WeakPolarHBondContact O-CA 3.43Å; E23-Y39 HydrophobicContact CB-CD1 3.92Å; E23-Y39 HydrophobicContact CB-CE1 3.77Å; E23-Y39 HydrophobicContact CG-CD1 4.47Å; E23-Y39 HydrophobicContact CG-CE1 4.12Å; K37-Y39 HydrophobicContact CB-CE2 3.7Å; K37-Y39 HydrophobicContact CD-CE2 4.32Å; K37-Y39 WeakPolarHBondContact CD-OH 3.36Å; Y39-W54 CarbonylContact O-C 3.53Å; Y39-W54 WeakPolarHBondContact O-CA 3.17Å; Y39-F55 AromaticContact CD2-CD1 3.87Å; Y39-F55 HydrophobicContact CD2-CD1 3.87Å; Y39-F55 PolarHBondContact N-O 2.92Å; Y39-F55 PolarHBondContact O-N 3.47Å; Y39-E57 HydrophobicContact CE2-CG 4.45Å; Y39-F153 HydrophobicContact CD1-CE1 4.04Å; Y39-F153 HydrophobicContact CD1-CZ 4.21Å; Y39-F153 AromaticContact CD2-CE1 3.84Å; Y39-F153 HydrophobicContact CD2-CE1 3.84Å; Y39-F153 HydrophobicContact CD2-CZ 4.31Å; Y39-F153 HydrophobicContact CE1-CE1 4.28Å; Y39-F153 HydrophobicContact CE2-CE1 4.09Å; Y39-F153 AromaticContact CG-CE1 3.81Å; Y39-F153 HydrophobicContact CG-CE1 3.81Å; Y39-F153 AromaticContact CG-CZ 3.91Å; Y39-F153 HydrophobicContact CG-CZ 3.91Å
40	S	98.9	Very high	96.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.1	174.2	171.2	0	0	0	0	109.4	D22 H52 Y53 L342 H343	D22-S40 WeakPolarHBondContact CB-O 3.31Å; D22-S40 PolarHBondContact O-N 2.75Å; S40-H52 PolarHBondContact OG-NE2 3.44Å; S40-Y53 VanDerWaalsContact CA-O 3.26Å; S40-Y53 WeakPolarHBondContact CA-O 3.15Å; S40-L342 WeakPolarHBondContact CB-O 3.32Å; S40-L342 PolarHBondContact OG-O 2.81Å; S40-H343 PolarHBondContact O-CD2 2.64Å; S40-H343 VanDerWaalsContact O-CD2 3.22Å
41	G	98.6	Very high	97	Very high	2 Å²	2	51.4 Å²	51.4	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-155.4	-174.6	0	0	0	0	0	111.2	H52 Y53	G41-H52 WeakPolarHBondContact O-CA 3.26Å; G41-H52 PolarHBondContact O-CD2 2.9Å; G41-Y53 VanDerWaalsContact CA-CE1 3.48Å; G41-Y53 PolarHBondContact N-O 2.97Å; G41-Y53 VanDerWaalsContact O-CD1 3.3Å; G41-Y53 WeakPolarHBondContact O-CD1 3.43Å; G41-Y53 PolarHBondContact O-N 2.9Å
42	Y	98.8	Very high	97.2	Very high	42 Å²	42	42.5 Å²	42.5	17%	0.165	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	138.8	-175.9	-67.4	-91.7	0	0	0	112.5	H50 L51 H52 Y123 Y125 S345	Y42-H50 HydrophobicContact CD1-CB 3.92Å; Y42-L51 CarbonylContact C-O 3.6Å; Y42-L51 WeakPolarHBondContact CA-O 3.32Å; Y42-H52 HydrophobicContact CD1-CB 4.09Å; Y42-H52 HydrophobicContact CE1-CB 3.74Å; Y42-Y123 VanDerWaalsContact CE1-O 3.31Å; Y42-Y123 WeakPolarHBondContact CE1-O 3.49Å; Y42-Y123 PolarHBondContact OH-O 3.07Å; Y42-Y125 HydrophobicContact CD1-CD1 4.41Å; Y42-Y125 HydrophobicContact CD1-CE1 4.03Å; Y42-Y125 AromaticContact CE1-CD1 3.81Å; Y42-Y125 HydrophobicContact CE1-CD1 3.81Å; Y42-Y125 AromaticContact CE1-CE1 3.66Å; Y42-Y125 HydrophobicContact CE1-CE1 3.66Å; Y42-S345 PolarHBondContact OH-N 2.95Å; Y42-S345 VanDerWaalsContact OH-N 3.16Å
43	F	98.6	Very high	97.3	Very high	8 Å²	8	35 Å²	35	4%	0.035	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.5	164.4	-59.7	-51.4	0	0	0	110.4	H50 L51 Y53 L113 L115 A145 E148 F149 A152 F153	F43-H50 WeakPolarHBondContact O-CA 3.32Å; F43-L51 PolarHBondContact N-O 3.33Å; F43-L51 PolarHBondContact O-N 3.42Å; F43-Y53 HydrophobicContact CD1-CD1 4.41Å; F43-Y53 HydrophobicContact CD1-CE1 4.44Å; F43-Y53 AromaticContact CD2-CD1 3.9Å; F43-Y53 HydrophobicContact CD2-CD1 3.9Å; F43-Y53 HydrophobicContact CD2-CG 4.2Å; F43-Y53 AromaticContact CE1-CD1 3.97Å; F43-Y53 HydrophobicContact CE1-CD1 3.97Å; F43-Y53 AromaticContact CE1-CE1 3.8Å; F43-Y53 HydrophobicContact CE1-CE1 3.8Å; F43-Y53 AromaticContact CE2-CD1 3.41Å; F43-Y53 HydrophobicContact CE2-CD1 3.41Å; F43-Y53 VanDerWaalsContact CE2-CD1 3.41Å; F43-Y53 HydrophobicContact CE2-CD2 4.08Å; F43-Y53 HydrophobicContact CE2-CE1 4.06Å; F43-Y53 AromaticContact CE2-CG 3.44Å; F43-Y53 HydrophobicContact CE2-CG 3.44Å; F43-Y53 VanDerWaalsContact CE2-CG 3.44Å; F43-Y53 HydrophobicContact CG-CD1 4.36Å; F43-Y53 AromaticContact CZ-CD1 3.42Å; F43-Y53 HydrophobicContact CZ-CD1 3.42Å; F43-Y53 VanDerWaalsContact CZ-CD1 3.42Å; F43-Y53 AromaticContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; F43-Y53 AromaticContact CZ-CE1 3.55Å; F43-Y53 HydrophobicContact CZ-CE1 3.55Å; F43-Y53 HydrophobicContact CZ-CE2 4.1Å; F43-Y53 AromaticContact CZ-CG 3.67Å; F43-Y53 HydrophobicContact CZ-CG 3.67Å; F43-Y53 AromaticContact CZ-CZ 3.9Å; F43-L113 HydrophobicContact CE2-CD1 4.4Å; F43-L115 HydrophobicContact CD2-CD1 4.05Å; F43-L115 HydrophobicContact CE2-CD1 4.48Å; F43-A145 HydrophobicContact CB-CB 4.02Å; F43-A145 HydrophobicContact CD2-CB 4.13Å; F43-A145 HydrophobicContact CG-CB 4.41Å; F43-E148 HydrophobicContact CB-CB 4.1Å; F43-E148 HydrophobicContact CD1-CB 3.69Å; F43-E148 HydrophobicContact CG-CB 4.12Å; F43-F149 HydrophobicContact CE1-CB 4.11Å; F43-F149 HydrophobicContact CE2-CB 3.88Å; F43-F149 HydrophobicContact CE2-CD2 4.35Å; F43-F149 HydrophobicContact CZ-CB 3.62Å; F43-F149 AromaticContact CZ-CD2 3.83Å; F43-F149 HydrophobicContact CZ-CD2 3.83Å; F43-F149 HydrophobicContact CZ-CG 4.23Å; F43-A152 HydrophobicContact CE1-CB 4.44Å; F43-F153 HydrophobicContact CZ-CE2 4.5Å
44	N	97.8	Very high	97.3	Very high	102 Å²	102	32.6 Å²	32.6	55%	0.545	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	120.5	177.4	-58.1	-27.1	0	0	0	109.1	H50	N44-H50 PolarHBondContact OD1-CE1 3.11Å; N44-H50 PolarHBondContact OD1-ND1 2.95Å
45	V	97.3	Very high	97.4	Very high	17 Å²	17	31.3 Å²	31.3	10%	0.103	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	-176.2	-176.9	-55.4	0	0	0	0	110.9	K49 L51 N141 L144 A145	V45-K49 HydrophobicContact CG2-CB 3.61Å; V45-K49 PolarHBondContact N-O 2.89Å; V45-L51 HydrophobicContact CG2-CD1 4.36Å; V45-L51 HydrophobicContact CG2-CG 4.11Å; V45-N141 HydrophobicContact CB-CB 4.44Å; V45-N141 WeakPolarHBondContact CG1-O 3.42Å; V45-N141 HydrophobicContact CG2-CB 3.89Å; V45-L144 HydrophobicContact CB-CB 4.12Å; V45-L144 HydrophobicContact CG1-CB 3.95Å; V45-A145 HydrophobicContact CG1-CB 3.91Å
46	A	93	Very high	97.6	Very high	49 Å²	49	24.6 Å²	24.6	41%	0.405	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	145.4	-172.6	0	0	0	0	0	113.1	L144	A46-L144 HydrophobicContact CB-CD1 3.79Å
47	G	88.3	Confident	97.6	Very high	44 Å²	44	24.9 Å²	24.9	45%	0.454	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	39.5	175.6	0	0	0	0	0	114.1	K49	G47-K49 PolarHBondContact O-N 2.88Å
48	N	92.9	Very high	97.6	Very high	99 Å²	99	20.5 Å²	20.5	53%	0.529	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	37.3	178.1	-51.5	-29	0	0	0	113.1	S126 D127	N48-S126 VanDerWaalsContact O-CA 3.23Å; N48-S126 WeakPolarHBondContact O-CA 3.46Å; N48-S126 WeakPolarHBondContact O-CB 3.42Å; N48-D127 HydrophobicContact CB-CB 3.95Å; N48-D127 PolarHBondContact O-N 3.04Å
49	K	98.1	Very high	97.6	Very high	21 Å²	21	23.8 Å²	23.8	9%	0.091	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	141	-179.9	-69.7	-178.1	-179.5	83.3	0	109.8	V45 G47 A119 E137 N141	V45-K49 HydrophobicContact CG2-CB 3.61Å; V45-K49 PolarHBondContact N-O 2.89Å; G47-K49 PolarHBondContact O-N 2.88Å; K49-A119 HydrophobicContact CB-CB 3.98Å; K49-A119 HydrophobicContact CD-CB 3.83Å; K49-A119 HydrophobicContact CG-CB 3.79Å; K49-E137 WeakPolarHBondContact CE-OE1 3.19Å; K49-E137 IonicContact NZ-OE1 3.52Å; K49-E137 PolarHBondContact NZ-OE1 3.25Å; K49-N141 WeakPolarHBondContact CD-ND2 3.33Å
50	H	98.6	Very high	97.5	Very high	22 Å²	22	30.4 Å²	30.4	10%	0.102	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	109.1	-178	-55.7	-81.6	0	0	0	108.2	Y42 F43 N44 S124 Y125 D127	Y42-H50 HydrophobicContact CD1-CB 3.92Å; F43-H50 WeakPolarHBondContact O-CA 3.32Å; N44-H50 PolarHBondContact OD1-CE1 3.11Å; N44-H50 PolarHBondContact OD1-ND1 2.95Å; H50-S124 CarbonylContact O-C 3.34Å; H50-S124 VanDerWaalsContact O-CA 3.27Å; H50-S124 WeakPolarHBondContact O-CA 3.43Å; H50-S124 WeakPolarHBondContact O-CB 3.36Å; H50-Y125 HydrophobicContact CB-CD1 4.04Å; H50-Y125 HydrophobicContact CB-CE1 3.71Å; H50-Y125 HydrophobicContact CB-CE2 4.28Å; H50-Y125 HydrophobicContact CB-CG 4.46Å; H50-Y125 AromaticContact CD2-CD2 3.94Å; H50-Y125 AromaticContact CD2-CE2 3.39Å; H50-Y125 WeakPolarHBondContact CD2-CE2 3.5Å; H50-Y125 AromaticContact CD2-CZ 3.65Å; H50-Y125 AromaticContact CG-CE2 3.95Å; H50-Y125 AromaticContact CG-CZ 3.72Å; H50-Y125 PolarHBondContact N-O 3.12Å; H50-Y125 PolarHBondContact O-N 3.38Å; H50-D127 IonicContact CD2-OD1 2.68Å; H50-D127 IonicContact NE2-OD1 3.34Å; H50-D127 PolarHBondContact NE2-OD1 2.97Å; H50-D127 IonicContact NE2-OD2 3.78Å; H50-D127 PolarHBondContact NE2-OD2 3.42Å
51	L	98.9	Very high	97.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	116.9	180	-56.2	-170.2	0	0	0	109.8	Y42 F43 V45 L115 A119 S124 A145	Y42-L51 CarbonylContact C-O 3.6Å; Y42-L51 WeakPolarHBondContact CA-O 3.32Å; F43-L51 PolarHBondContact N-O 3.33Å; F43-L51 PolarHBondContact O-N 3.42Å; V45-L51 HydrophobicContact CG2-CD1 4.36Å; V45-L51 HydrophobicContact CG2-CG 4.11Å; L51-L115 HydrophobicContact CB-CD1 3.97Å; L51-L115 HydrophobicContact CD1-CD2 4.4Å; L51-A119 HydrophobicContact CD2-CB 4.11Å; L51-S124 WeakPolarHBondContact CA-OG 3.38Å; L51-A145 HydrophobicContact CD1-CB 4.05Å
52	H	98.9	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	137.5	172.8	175.8	-95.7	0	0	0	110.1	S40 G41 Y42 E116 Y123 S124	S40-H52 PolarHBondContact OG-NE2 3.44Å; G41-H52 WeakPolarHBondContact O-CA 3.26Å; G41-H52 PolarHBondContact O-CD2 2.9Å; Y42-H52 HydrophobicContact CD1-CB 4.09Å; Y42-H52 HydrophobicContact CE1-CB 3.74Å; H52-E116 HydrophobicContact CB-CB 4.32Å; H52-E116 IonicContact CG-OE2 2.91Å; H52-E116 IonicContact ND1-OE2 3.37Å; H52-E116 PolarHBondContact ND1-OE2 3.24Å; H52-E116 VanDerWaalsContact ND1-OE2 3.13Å; H52-E116 PolarHBondContact O-N 3.45Å; H52-Y123 AromaticContact CE1-CD2 3.98Å; H52-Y123 AromaticContact ND1-CD2 3.95Å; H52-S124 PolarHBondContact N-OG 2.79Å
53	Y	98.9	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.4	172.5	79.1	-84.7	0	0	0	110.6	D22 S40 G41 F43 F55 L113 Y114 F153	D22-Y53 WeakPolarHBondContact CB-OH 3.48Å; D22-Y53 PolarHBondContact OD2-OH 3.15Å; S40-Y53 VanDerWaalsContact CA-O 3.26Å; S40-Y53 WeakPolarHBondContact CA-O 3.15Å; G41-Y53 VanDerWaalsContact CA-CE1 3.48Å; G41-Y53 PolarHBondContact N-O 2.97Å; G41-Y53 VanDerWaalsContact O-CD1 3.3Å; G41-Y53 WeakPolarHBondContact O-CD1 3.43Å; G41-Y53 PolarHBondContact O-N 2.9Å; F43-Y53 HydrophobicContact CD1-CD1 4.41Å; F43-Y53 HydrophobicContact CD1-CE1 4.44Å; F43-Y53 AromaticContact CD2-CD1 3.9Å; F43-Y53 HydrophobicContact CD2-CD1 3.9Å; F43-Y53 HydrophobicContact CD2-CG 4.2Å; F43-Y53 AromaticContact CE1-CD1 3.97Å; F43-Y53 HydrophobicContact CE1-CD1 3.97Å; F43-Y53 AromaticContact CE1-CE1 3.8Å; F43-Y53 HydrophobicContact CE1-CE1 3.8Å; F43-Y53 AromaticContact CE2-CD1 3.41Å; F43-Y53 HydrophobicContact CE2-CD1 3.41Å; F43-Y53 VanDerWaalsContact CE2-CD1 3.41Å; F43-Y53 HydrophobicContact CE2-CD2 4.08Å; F43-Y53 HydrophobicContact CE2-CE1 4.06Å; F43-Y53 AromaticContact CE2-CG 3.44Å; F43-Y53 HydrophobicContact CE2-CG 3.44Å; F43-Y53 VanDerWaalsContact CE2-CG 3.44Å; F43-Y53 HydrophobicContact CG-CD1 4.36Å; F43-Y53 AromaticContact CZ-CD1 3.42Å; F43-Y53 HydrophobicContact CZ-CD1 3.42Å; F43-Y53 VanDerWaalsContact CZ-CD1 3.42Å; F43-Y53 AromaticContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; F43-Y53 AromaticContact CZ-CE1 3.55Å; F43-Y53 HydrophobicContact CZ-CE1 3.55Å; F43-Y53 HydrophobicContact CZ-CE2 4.1Å; F43-Y53 AromaticContact CZ-CG 3.67Å; F43-Y53 HydrophobicContact CZ-CG 3.67Å; F43-Y53 AromaticContact CZ-CZ 3.9Å; Y53-F55 HydrophobicContact CD2-CB 3.81Å; Y53-F55 HydrophobicContact CE2-CB 3.8Å; Y53-L113 HydrophobicContact CD2-CD1 3.76Å; Y53-L113 HydrophobicContact CG-CD1 4.17Å; Y53-Y114 CarbonylContact C-O 3.56Å; Y53-Y114 WeakPolarHBondContact CA-O 3.35Å; Y53-F153 HydrophobicContact CE2-CE2 4.02Å; Y53-F153 HydrophobicContact CE2-CZ 4.01Å; Y53-F153 WeakPolarHBondContact OH-CZ 3.17Å
54	W	98.9	Very high	97.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	109.9	162.8	-165.6	-22.7	0	0	0	108.5	I24 L27 Y39 L80 L83 F90 Y114 L333 L342	I24-W54 HydrophobicContact CD1-CD2 4.28Å; I24-W54 HydrophobicContact CD1-CG 4.45Å; I24-W54 HydrophobicContact CD1-CZ2 3.88Å; L27-W54 HydrophobicContact CD1-CH2 3.79Å; L27-W54 HydrophobicContact CD1-CZ2 3.93Å; L27-W54 HydrophobicContact CD2-CH2 3.92Å; L27-W54 HydrophobicContact CD2-CZ2 3.73Å; L27-W54 HydrophobicContact CG-CZ2 4.5Å; Y39-W54 CarbonylContact O-C 3.53Å; Y39-W54 WeakPolarHBondContact O-CA 3.17Å; W54-L80 HydrophobicContact CB-CD2 3.77Å; W54-L80 HydrophobicContact CD2-CD2 4.43Å; W54-L80 HydrophobicContact CE3-CD1 4.25Å; W54-L80 HydrophobicContact CE3-CD2 3.77Å; W54-L83 HydrophobicContact CB-CD1 3.98Å; W54-L83 HydrophobicContact CD2-CD1 3.52Å; W54-L83 HydrophobicContact CE3-CD1 3.82Å; W54-L83 HydrophobicContact CG-CD1 3.61Å; W54-L83 HydrophobicContact CZ3-CD1 4.46Å; W54-L83 HydrophobicContact CZ3-CD2 4.45Å; W54-F90 AromaticContact CH2-CE2 3.78Å; W54-F90 HydrophobicContact CH2-CE2 3.78Å; W54-F90 HydrophobicContact CH2-CZ 4.18Å; W54-F90 AromaticContact CZ2-CE2 3.61Å; W54-F90 HydrophobicContact CZ2-CE2 3.61Å; W54-F90 AromaticContact CZ2-CZ 3.52Å; W54-F90 HydrophobicContact CZ2-CZ 3.52Å; W54-Y114 PolarHBondContact N-O 2.84Å; W54-Y114 WeakPolarHBondContact O-CD2 3.43Å; W54-Y114 PolarHBondContact O-N 3.21Å; W54-L333 HydrophobicContact CZ3-CD2 4.47Å; W54-L342 HydrophobicContact CD2-CD2 3.95Å; W54-L342 HydrophobicContact CE3-CD1 4.04Å; W54-L342 HydrophobicContact CE3-CD2 3.79Å; W54-L342 HydrophobicContact CH2-CD1 4.17Å; W54-L342 HydrophobicContact CH2-CD2 3.56Å; W54-L342 HydrophobicContact CH2-CG 4.43Å; W54-L342 HydrophobicContact CZ2-CD2 3.66Å; W54-L342 HydrophobicContact CZ3-CD1 3.61Å; W54-L342 HydrophobicContact CZ3-CD2 3.62Å; W54-L342 HydrophobicContact CZ3-CG 4.25Å
55	F	98.9	Very high	97.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	126.5	178.5	178.9	-118.7	0	0	0	109.8	Q38 Y39 Y53 E57 N111 M112 L113 F149 F153 Y156	Q38-F55 CarbonylContact C-O 3.53Å; Q38-F55 WeakPolarHBondContact CA-O 3.38Å; Y39-F55 AromaticContact CD2-CD1 3.87Å; Y39-F55 HydrophobicContact CD2-CD1 3.87Å; Y39-F55 PolarHBondContact N-O 2.92Å; Y39-F55 PolarHBondContact O-N 3.47Å; Y53-F55 HydrophobicContact CD2-CB 3.81Å; Y53-F55 HydrophobicContact CE2-CB 3.8Å; F55-E57 HydrophobicContact CE1-CG 3.99Å; F55-N111 HydrophobicContact CE2-CB 3.58Å; F55-N111 HydrophobicContact CZ-CB 3.55Å; F55-M112 CarbonylContact C-O 3.45Å; F55-M112 WeakPolarHBondContact CA-O 3.48Å; F55-M112 WeakPolarHBondContact CD2-O 3.39Å; F55-L113 HydrophobicContact CB-CD1 4.07Å; F55-L113 HydrophobicContact CD2-CB 4Å; F55-L113 HydrophobicContact CD2-CD1 4.34Å; F55-F149 HydrophobicContact CD1-CE2 4.34Å; F55-F149 AromaticContact CD2-CE2 3.87Å; F55-F149 HydrophobicContact CD2-CE2 3.87Å; F55-F149 HydrophobicContact CD2-CZ 4.17Å; F55-F149 HydrophobicContact CE1-CE2 4.44Å; F55-F149 AromaticContact CE2-CE2 3.94Å; F55-F149 HydrophobicContact CE2-CE2 3.94Å; F55-F149 AromaticContact CE2-CZ 3.78Å; F55-F149 HydrophobicContact CE2-CZ 3.78Å; F55-F149 HydrophobicContact CG-CE2 4.06Å; F55-F149 HydrophobicContact CZ-CE2 4.22Å; F55-F149 HydrophobicContact CZ-CZ 4Å; F55-F153 HydrophobicContact CD1-CD1 4.31Å; F55-F153 AromaticContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CZ 4.13Å; F55-F153 HydrophobicContact CE1-CD1 4.18Å; F55-F153 HydrophobicContact CE1-CE1 4.15Å; F55-Y156 HydrophobicContact CE1-CD2 4.1Å; F55-Y156 AromaticContact CE1-CE2 3.5Å; F55-Y156 HydrophobicContact CE1-CE2 3.5Å; F55-Y156 AromaticContact CZ-CD2 3.85Å; F55-Y156 HydrophobicContact CZ-CD2 3.85Å; F55-Y156 AromaticContact CZ-CE2 3.56Å; F55-Y156 HydrophobicContact CZ-CE2 3.56Å
56	V	98.9	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.1	176.6	-60.5	0	0	0	0	108.8	F36 Q38 P89 N107 N111 M112 Y114	F36-V56 HydrophobicContact CE2-CB 4.4Å; Q38-V56 HydrophobicContact CB-CB 4.43Å; Q38-V56 HydrophobicContact CB-CG1 3.87Å; V56-P89 HydrophobicContact CB-CG 4.29Å; V56-P89 HydrophobicContact CG1-CG 4.07Å; V56-P89 HydrophobicContact CG2-CG 4.21Å; V56-N107 HydrophobicContact CG2-CB 3.8Å; V56-N111 CarbonylContact O-C 3.52Å; V56-N111 WeakPolarHBondContact O-CA 3.45Å; V56-M112 HydrophobicContact CG2-CB 3.73Å; V56-M112 PolarHBondContact N-O 2.87Å; V56-M112 PolarHBondContact O-N 3.47Å; V56-Y114 HydrophobicContact CG2-CE2 3.92Å
57	E	98.9	Very high	97.7	Very high	20 Å²	20	35.8 Å²	35.8	9%	0.093	21%	0.213	C	C	.	.			trans	-64.4	158.5	179	-70.7	-169.2	165.3	0	0	111.1	K37 Y39 F55 Q59 P62 N107 N111 Y156	K37-E57 HydrophobicContact CB-CG 4.18Å; K37-E57 WeakPolarHBondContact CB-OE2 3.32Å; K37-E57 WeakPolarHBondContact O-CB 3.48Å; K37-E57 PolarHBondContact O-N 2.85Å; Y39-E57 HydrophobicContact CE2-CG 4.45Å; F55-E57 HydrophobicContact CE1-CG 3.99Å; E57-Q59 PolarHBondContact O-N 2.69Å; E57-P62 HydrophobicContact CB-CB 3.95Å; E57-P62 HydrophobicContact CG-CB 4.41Å; E57-N107 PolarHBondContact O-ND2 3.3Å; E57-N111 WeakPolarHBondContact CA-OD1 3.01Å; E57-Y156 WeakPolarHBondContact CG-OH 3.48Å; E57-Y156 PolarHBondContact OE1-OH 3.32Å
58	S	98.8	Very high	98.2	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	19%	0.191	C	C	.	.			trans	-61.6	136.6	172.9	-166.8	0	0	0	0	110.5	K60 S65 N107 A110 N111	S58-K60 WeakPolarHBondContact CB-O 3.28Å; S58-K60 PolarHBondContact O-N 3.21Å; S58-K60 VanDerWaalsContact O-N 3.12Å; S58-K60 PolarHBondContact OG-O 2.93Å; S58-K60 VanDerWaalsContact OG-O 3.05Å; S58-S65 PolarHBondContact OG-OG 3.38Å; S58-N107 CarbonylContact C-O 3.43Å; S58-N107 WeakPolarHBondContact CA-O 3.42Å; S58-N107 PolarHBondContact OG-O 3.23Å; S58-A110 VanDerWaalsContact CA-O 3.26Å; S58-A110 WeakPolarHBondContact CA-O 3.35Å; S58-A110 WeakPolarHBondContact CB-O 3.35Å; S58-A110 PolarHBondContact N-O 3.11Å; S58-A110 PolarHBondContact OG-N 2.66Å; S58-N111 PolarHBondContact N-OD1 3Å
59	Q	98.6	Very high	98.5	Very high	70 Å²	70	29 Å²	29	33%	0.327	17%	0.166	S	C	.	.	S	Bend	trans	-64.6	-16.3	175.9	-54.1	-168.5	20.9	0	0	112.6	F36 E57 N107	F36-Q59 HydrophobicContact CD1-CB 4.32Å; F36-Q59 HydrophobicContact CD1-CG 3.66Å; F36-Q59 HydrophobicContact CE1-CG 3.88Å; F36-Q59 HydrophobicContact CG-CG 4.3Å; E57-Q59 PolarHBondContact O-N 2.69Å; Q59-N107 WeakPolarHBondContact CG-ND2 3.47Å; Q59-N107 PolarHBondContact N-O 3.49Å; Q59-N107 PolarHBondContact NE2-OD1 3.37Å
60	K	96.8	Very high	98.6	Very high	141 Å²	141	28 Å²	28	61%	0.613	16%	0.162	S	C	*	.	S	Bend	trans	-136.8	130.8	177.9	-172.5	179.3	177.7	-175.2	0	110.7	S58 S65	S58-K60 WeakPolarHBondContact CB-O 3.28Å; S58-K60 PolarHBondContact O-N 3.21Å; S58-K60 VanDerWaalsContact O-N 3.12Å; S58-K60 PolarHBondContact OG-O 2.93Å; S58-K60 VanDerWaalsContact OG-O 3.05Å; K60-S65 PolarHBondContact O-OG 3.12Å
61	D	97.5	Very high	98.6	Very high	98 Å²	98	27 Å²	27	52%	0.524	16%	0.157	S	C	.	.			trans	48.4	48.2	173.5	-52.9	-36.1	0	0	0	114.6	A63 S64 S65	D61-A63 VanDerWaalsContact C-N 3.25Å; D61-A63 PolarHBondContact O-N 2.98Å; D61-A63 VanDerWaalsContact O-N 3.1Å; D61-S64 WeakPolarHBondContact CB-OG 3.47Å; D61-S64 PolarHBondContact O-N 2.92Å; D61-S64 PolarHBondContact O-OG 3.19Å; D61-S64 VanDerWaalsContact O-OG 3.05Å; D61-S65 PolarHBondContact O-N 2.99Å; D61-S65 PolarHBondContact O-OG 3.12Å
62	P	98.1	Very high	98.6	Very high	36 Å²	36	27.4 Å²	27.4	23%	0.234	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.2	-170.2	22.4	-34.3	0	0	0	113.8	E57 S64 S65 N111 Y156	E57-P62 HydrophobicContact CB-CB 3.95Å; E57-P62 HydrophobicContact CG-CB 4.41Å; P62-S64 PolarHBondContact O-N 2.92Å; P62-S64 VanDerWaalsContact O-N 3.09Å; P62-S65 PolarHBondContact O-N 2.96Å; P62-N111 WeakPolarHBondContact CA-OD1 3.3Å; P62-N111 VanDerWaalsContact CB-OD1 3.25Å; P62-N111 WeakPolarHBondContact CB-OD1 3.25Å; P62-N111 PolarHBondContact O-ND2 2.88Å; P62-Y156 WeakPolarHBondContact O-CE1 3.37Å
63	A	97.9	Very high	98.6	Very high	80 Å²	80	27.5 Å²	27.5	66%	0.661	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.7	176.3	0	0	0	0	0	114.2	D61 N159	D61-A63 VanDerWaalsContact C-N 3.25Å; D61-A63 PolarHBondContact O-N 2.98Å; D61-A63 VanDerWaalsContact O-N 3.1Å; A63-N159 PolarHBondContact O-ND2 3.45Å
64	S	97.8	Very high	98.5	Very high	91 Å²	91	27.6 Å²	27.6	64%	0.636	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112	-14.1	178.7	64.7	0	0	0	0	114.2	D61 P62	D61-S64 WeakPolarHBondContact CB-OG 3.47Å; D61-S64 PolarHBondContact O-N 2.92Å; D61-S64 PolarHBondContact O-OG 3.19Å; D61-S64 VanDerWaalsContact O-OG 3.05Å; P62-S64 PolarHBondContact O-N 2.92Å; P62-S64 VanDerWaalsContact O-N 3.09Å
65	S	98.8	Very high	98.4	Very high	14 Å²	14	27.6 Å²	27.6	10%	0.098	16%	0.161	C	C	.	.	S	Bend	trans	-69.8	147.4	178.5	-69.6	0	0	0	0	111.3	S58 K60 D61 P62 N111 N159	S58-S65 PolarHBondContact OG-OG 3.38Å; K60-S65 PolarHBondContact O-OG 3.12Å; D61-S65 PolarHBondContact O-N 2.99Å; D61-S65 PolarHBondContact O-OG 3.12Å; P62-S65 PolarHBondContact O-N 2.96Å; S65-N111 PolarHBondContact O-ND2 2.77Å; S65-N159 PolarHBondContact O-ND2 3.24Å
66	P	98.9	Very high	98.3	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.091	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-59	151.1	177.7	-27	38	0	0	0	112.5	V68 A110 N111 E160 F162 I466	P66-V68 HydrophobicContact CB-CG2 4.45Å; P66-A110 CarbonylContact O-C 3.5Å; P66-A110 WeakPolarHBondContact O-CA 3.34Å; P66-N111 PolarHBondContact O-N 2.84Å; P66-N111 PolarHBondContact O-ND2 3.05Å; P66-E160 CarbonylContact C-O 3.5Å; P66-E160 WeakPolarHBondContact CA-O 3.27Å; P66-E160 HydrophobicContact CB-CB 4.1Å; P66-E160 WeakPolarHBondContact CB-O 3.49Å; P66-E160 HydrophobicContact CG-CB 4.22Å; P66-F162 HydrophobicContact CB-CD2 3.97Å; P66-F162 HydrophobicContact CB-CE2 3.9Å; P66-F162 HydrophobicContact CG-CE2 4.27Å; P66-I466 HydrophobicContact CB-CG2 4.45Å; P66-I466 HydrophobicContact CG-CG2 3.72Å
67	V	98.9	Very high	98.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.7	163.3	178.6	0	0	0	0	108.4	N111 F149 Y156 N159 E160 F161 F162	V67-N111 CarbonylContact C-O 3.58Å; V67-N111 WeakPolarHBondContact CA-O 3.45Å; V67-N111 HydrophobicContact CG2-CB 4.37Å; V67-F149 HydrophobicContact CG1-CE1 3.84Å; V67-F149 HydrophobicContact CG1-CZ 4.01Å; V67-Y156 HydrophobicContact CG2-CD1 4.22Å; V67-Y156 HydrophobicContact CG2-CG 4.02Å; V67-N159 HydrophobicContact CG2-CB 4.17Å; V67-E160 PolarHBondContact N-O 3.03Å; V67-F161 HydrophobicContact CB-CD2 3.95Å; V67-F161 HydrophobicContact CG1-CD2 3.83Å; V67-F161 HydrophobicContact CG1-CE2 4Å; V67-F161 CarbonylContact O-C 3.57Å; V67-F161 WeakPolarHBondContact O-CA 3.44Å; V67-F161 WeakPolarHBondContact O-CD2 3.12Å; V67-F162 PolarHBondContact O-N 3.04Å
68	V	99	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	115.5	-179.7	-179.5	0	0	0	0	108.5	P66 A110 N111 M112 L113 F162 T164 F462 I466	P66-V68 HydrophobicContact CB-CG2 4.45Å; V68-A110 HydrophobicContact CB-CB 4.39Å; V68-A110 HydrophobicContact CG2-CB 3.65Å; V68-N111 PolarHBondContact N-O 3.36Å; V68-M112 HydrophobicContact CB-CE 4.27Å; V68-M112 HydrophobicContact CB-SD 3.63Å; V68-M112 HydrophobicContact CG1-CE 3.91Å; V68-M112 HydrophobicContact CG1-SD 3.84Å; V68-M112 HydrophobicContact CG2-SD 4.31Å; V68-M112 WeakPolarHBondContact O-CA 3.35Å; V68-L113 PolarHBondContact O-N 2.96Å; V68-F162 WeakPolarHBondContact CA-O 3.3Å; V68-F162 HydrophobicContact CG2-CB 4.22Å; V68-F162 HydrophobicContact CG2-CD2 4.37Å; V68-T164 HydrophobicContact CG1-CG2 3.76Å; V68-T164 WeakPolarHBondContact CG1-OG1 3.45Å; V68-F462 HydrophobicContact CG1-CE2 4.19Å; V68-F462 HydrophobicContact CG2-CE2 4.33Å; V68-F462 HydrophobicContact CG2-CZ 4.16Å; V68-I466 HydrophobicContact CG2-CD1 3.84Å
69	L	99	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	136.3	168.4	174.9	71.5	0	0	0	109.1	L71 L113 L115 L146 F161 F162 L163 T164 L176	L69-L71 HydrophobicContact CD1-CD2 4.17Å; L69-L71 HydrophobicContact CD1-CG 4.44Å; L69-L71 HydrophobicContact CD2-CD1 4.06Å; L69-L71 HydrophobicContact CD2-CD2 4.42Å; L69-L71 HydrophobicContact CD2-CG 4.01Å; L69-L71 HydrophobicContact CG-CD2 4.4Å; L69-L71 HydrophobicContact CG-CG 4.12Å; L69-L113 CarbonylContact C-O 2.99Å; L69-L113 WeakPolarHBondContact CA-O 3.33Å; L69-L113 HydrophobicContact CD1-CB 4.46Å; L69-L113 HydrophobicContact CD1-CD2 3.92Å; L69-L113 HydrophobicContact CD1-CG 4.01Å; L69-L115 HydrophobicContact CD1-CB 3.83Å; L69-L115 HydrophobicContact CD1-CD2 4.37Å; L69-L146 HydrophobicContact CD1-CD2 4.39Å; L69-L146 HydrophobicContact CD2-CD1 4.48Å; L69-L146 HydrophobicContact CD2-CD2 4.33Å; L69-F161 HydrophobicContact CB-CE2 4.14Å; L69-F161 HydrophobicContact CB-CZ 4.31Å; L69-F162 PolarHBondContact N-O 3.26Å; L69-L163 HydrophobicContact CB-CD2 4.04Å; L69-L163 HydrophobicContact CD2-CD2 3.65Å; L69-L163 HydrophobicContact CG-CD2 4.49Å; L69-T164 CarbonylContact O-C 3.41Å; L69-T164 WeakPolarHBondContact O-CA 3.19Å; L69-T164 WeakPolarHBondContact O-CB 3.42Å; L69-T164 PolarHBondContact O-N 2.59Å; L69-T164 VanDerWaalsContact O-O 3.05Å; L69-T164 PolarHBondContact O-OG1 3.31Å; L69-L176 HydrophobicContact CD2-CD2 3.55Å
70	W	99	Very high	98.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	130.1	167.2	179.3	-97.5	0	0	0	111	N72 H87 W106 M112 L113 Y114 L115 T164 E166	W70-N72 PolarHBondContact NE1-OD1 2.97Å; W70-H87 AromaticContact CD1-CE1 3.98Å; W70-H87 AromaticContact CD2-CE1 3.38Å; W70-H87 AromaticContact CD2-NE2 3.21Å; W70-H87 AromaticContact CE2-CE1 3.58Å; W70-H87 AromaticContact CE2-NE2 3.34Å; W70-H87 VanDerWaalsContact CE2-NE2 3.34Å; W70-H87 AromaticContact CE3-CE1 3.77Å; W70-H87 AromaticContact CE3-NE2 3.18Å; W70-H87 AromaticContact CG-CE1 3.64Å; W70-H87 AromaticContact CG-NE2 3.97Å; W70-H87 AromaticContact CH2-NE2 3.41Å; W70-H87 WeakPolarHBondContact CH2-NE2 3.5Å; W70-H87 AromaticContact CZ2-NE2 3.45Å; W70-H87 WeakPolarHBondContact CZ2-NE2 3.4Å; W70-H87 AromaticContact CZ3-NE2 3.29Å; W70-H87 VanDerWaalsContact CZ3-NE2 3.29Å; W70-H87 WeakPolarHBondContact CZ3-NE2 3.38Å; W70-H87 AromaticContact NE1-CE1 3.92Å; W70-W106 HydrophobicContact CE3-CH2 4.35Å; W70-W106 AromaticContact CE3-CZ3 3.81Å; W70-W106 HydrophobicContact CE3-CZ3 3.81Å; W70-W106 HydrophobicContact CH2-CH2 4.49Å; W70-W106 AromaticContact CZ3-CH2 3.75Å; W70-W106 HydrophobicContact CZ3-CH2 3.75Å; W70-W106 AromaticContact CZ3-CZ3 3.69Å; W70-W106 HydrophobicContact CZ3-CZ3 3.69Å; W70-M112 HydrophobicContact CB-CE 4.21Å; W70-L113 PolarHBondContact N-O 3.48Å; W70-Y114 HydrophobicContact CB-CD1 4Å; W70-Y114 HydrophobicContact CB-CE1 4.17Å; W70-Y114 AromaticContact CD1-CD1 3.56Å; W70-Y114 AromaticContact CD1-CE1 3.83Å; W70-Y114 HydrophobicContact CG-CD1 4.02Å; W70-Y114 HydrophobicContact CG-CE1 4.06Å; W70-L115 PolarHBondContact O-N 2.84Å; W70-T164 CarbonylContact C-O 3.46Å; W70-T164 VanDerWaalsContact CA-O 3.27Å; W70-T164 WeakPolarHBondContact CA-O 3.25Å; W70-E166 HydrophobicContact CH2-CB 3.77Å; W70-E166 HydrophobicContact CZ2-CB 3.81Å
71	L	98.9	Very high	98.4	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117	172.4	-62.3	-179.6	0	0	0	110.6	L69 S79 L115 T164 G165 E166 I173 L176	L69-L71 HydrophobicContact CD1-CD2 4.17Å; L69-L71 HydrophobicContact CD1-CG 4.44Å; L69-L71 HydrophobicContact CD2-CD1 4.06Å; L69-L71 HydrophobicContact CD2-CD2 4.42Å; L69-L71 HydrophobicContact CD2-CG 4.01Å; L69-L71 HydrophobicContact CG-CD2 4.4Å; L69-L71 HydrophobicContact CG-CG 4.12Å; L71-S79 WeakPolarHBondContact CA-OG 3.33Å; L71-L115 HydrophobicContact CD2-CB 3.86Å; L71-L115 HydrophobicContact CD2-CD2 4.27Å; L71-L115 HydrophobicContact CD2-CG 4.43Å; L71-L115 WeakPolarHBondContact CD2-O 3.33Å; L71-T164 PolarHBondContact N-O 2.93Å; L71-G165 CarbonylContact O-C 3.44Å; L71-G165 WeakPolarHBondContact O-CA 3.35Å; L71-E166 PolarHBondContact O-N 2.85Å; L71-I173 HydrophobicContact CB-CD1 4.3Å; L71-I173 HydrophobicContact CD1-CD1 3.87Å; L71-I173 HydrophobicContact CG-CD1 4.2Å; L71-L176 HydrophobicContact CD1-CD2 4.36Å
72	N	98.9	Very high	98.5	Very high	9 Å²	9	13.8 Å²	13.8	5%	0.048	10%	0.098	C	C	.	.			trans	-69.6	171.3	161.3	-76.3	87.2	0	0	0	110.2	W70 S78 S79 G82 E86	W70-N72 PolarHBondContact NE1-OD1 2.97Å; N72-S78 WeakPolarHBondContact CB-O 3.26Å; N72-S78 PolarHBondContact OD1-O 3.49Å; N72-S79 PolarHBondContact N-OG 3.17Å; N72-S79 VanDerWaalsContact N-OG 3.16Å; N72-S79 VanDerWaalsContact OD1-CA 3.25Å; N72-S79 WeakPolarHBondContact OD1-CA 3.42Å; N72-G82 WeakPolarHBondContact OD1-CA 3.42Å; N72-G82 PolarHBondContact OD1-N 2.79Å; N72-E86 PolarHBondContact ND2-OE1 2.95Å
73	G	98.2	Very high	98.5	Very high	3 Å²	3	12.1 Å²	12.1	3%	0.031	9%	0.087	C	C	.	.			trans	-102.6	-117	-172.7	0	0	0	0	0	115.2	G76 C77 E166	G73-G76 PolarHBondContact O-N 3.17Å; G73-C77 PolarHBondContact O-N 3.12Å; G73-E166 PolarHBondContact N-O 3.02Å
74	G	97.2	Very high	98.6	Very high	2 Å²	2	8.3 Å²	8.3	2%	0.021	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	114.2	-99.4	-171.9	0	0	0	0	0	112	C77 N292	G74-C77 WeakPolarHBondContact CA-SG 3.24Å; G74-N292 PolarHBondContact O-ND2 3.33Å
75	P	97.3	Very high	98.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	cis	-71.9	145.8	10.1	30	-34.8	0	0	0	112.1	Y168 Y172 N359 Y362 R364	P75-Y168 HydrophobicContact CB-CD1 4.02Å; P75-Y168 HydrophobicContact CB-CD2 4.32Å; P75-Y168 HydrophobicContact CB-CE1 4.14Å; P75-Y168 HydrophobicContact CB-CE2 4.36Å; P75-Y168 HydrophobicContact CB-CG 4.13Å; P75-Y168 HydrophobicContact CG-CD2 4.21Å; P75-Y168 HydrophobicContact CG-CE2 4.06Å; P75-Y172 VanDerWaalsContact CA-OH 3.25Å; P75-Y172 WeakPolarHBondContact CA-OH 3.01Å; P75-Y172 WeakPolarHBondContact CB-OH 3.46Å; P75-N359 WeakPolarHBondContact O-CB 3.3Å; P75-N359 PolarHBondContact O-ND2 3.36Å; P75-Y362 HydrophobicContact CB-CD1 4.03Å; P75-Y362 HydrophobicContact CB-CD2 3.7Å; P75-Y362 HydrophobicContact CB-CE1 4.21Å; P75-Y362 HydrophobicContact CB-CE2 3.87Å; P75-Y362 HydrophobicContact CB-CG 3.78Å; P75-Y362 HydrophobicContact CG-CD1 3.77Å; P75-Y362 HydrophobicContact CG-CD2 4.12Å; P75-Y362 HydrophobicContact CG-CE1 4.32Å; P75-Y362 HydrophobicContact CG-CG 3.66Å; P75-R364 VanDerWaalsContact CD-NH2 3.35Å
76	G	97.9	Very high	98.6	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	15.4	178.5	0	0	0	0	0	115.4	G73 V121 C354 S355	G73-G76 PolarHBondContact O-N 3.17Å; G76-V121 VanDerWaalsContact CA-CG2 3.49Å; G76-C354 CarbonylContact O-C 3.59Å; G76-C354 VanDerWaalsContact O-CA 3.29Å; G76-C354 WeakPolarHBondContact O-CA 3.28Å; G76-S355 PolarHBondContact O-N 2.94Å
77	C	98.7	Very high	98.6	Very high	12 Å²	12	4.4 Å²	4.4	8%	0.081	3%	0.027	C	C	.	.	B	Isolated β-bridge	trans	-101.7	145.4	177.9	-61	0	0	0	0	112.1	G73 G74 V121 V353 C354	G73-C77 PolarHBondContact O-N 3.12Å; G74-C77 WeakPolarHBondContact CA-SG 3.24Å; C77-V121 VanDerWaalsContact C-CG1 3.42Å; C77-V121 WeakPolarHBondContact O-CG1 3.31Å; C77-V353 CarbonylContact C-O 3.57Å; C77-V353 VanDerWaalsContact CA-O 3.28Å; C77-V353 WeakPolarHBondContact CA-O 3.46Å; C77-C354 HydrophobicContact CB-CB 4.08Å; C77-C354 WeakPolarHBondContact CB-SG 3.31Å; C77-C354 WeakPolarHBondContact SG-CB 3.43Å; C77-C354 CovalentContact SG-SG 2.04Å; C77-C354 PolarHBondContact SG-SG 3.2Å
78	S	98.9	Very high	98.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.027	C	C	.	.			trans	-73.6	137.3	-172.1	164.9	0	0	0	0	112.5	N72 L80 D81 E116 W351 V353	N72-S78 WeakPolarHBondContact CB-O 3.26Å; N72-S78 PolarHBondContact OD1-O 3.49Å; S78-L80 PolarHBondContact O-N 2.81Å; S78-L80 WeakPolarHBondContact OG-CB 3.47Å; S78-L80 PolarHBondContact OG-N 3.41Å; S78-D81 WeakPolarHBondContact O-CB 2.94Å; S78-D81 PolarHBondContact O-N 3.48Å; S78-E116 VanDerWaalsContact CB-OE1 3.27Å; S78-E116 WeakPolarHBondContact CB-OE1 3.23Å; S78-E116 PolarHBondContact OG-OE1 3.17Å; S78-W351 PolarHBondContact OG-NE1 2.89Å; S78-V353 PolarHBondContact N-O 2.98Å
79	S	98.9	Very high	98.6	Very high	1 Å²	1	4.4 Å²	4.4	1%	0.007	3%	0.027	C	C	.	.	H	α-helix	trans	-73.7	-9.3	171.2	-58.9	0	0	0	0	113.9	L71 N72 D81 G82 L83 Y114 L115	L71-S79 WeakPolarHBondContact CA-OG 3.33Å; N72-S79 PolarHBondContact N-OG 3.17Å; N72-S79 VanDerWaalsContact N-OG 3.16Å; N72-S79 VanDerWaalsContact OD1-CA 3.25Å; N72-S79 WeakPolarHBondContact OD1-CA 3.42Å; S79-D81 PolarHBondContact O-N 3.26Å; S79-G82 PolarHBondContact O-N 2.69Å; S79-L83 PolarHBondContact O-N 2.91Å; S79-Y114 VanDerWaalsContact O-CD1 3.29Å; S79-Y114 WeakPolarHBondContact O-CD1 3.39Å; S79-L115 WeakPolarHBondContact CB-O 3.43Å; S79-L115 PolarHBondContact OG-O 3.36Å
80	L	98.9	Very high	98.6	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-75.1	-12.6	171.1	-58.6	-172.5	0	0	0	112.2	W54 S78 L83 L84 E116 Y123 L333 W351	W54-L80 HydrophobicContact CB-CD2 3.77Å; W54-L80 HydrophobicContact CD2-CD2 4.43Å; W54-L80 HydrophobicContact CE3-CD1 4.25Å; W54-L80 HydrophobicContact CE3-CD2 3.77Å; S78-L80 PolarHBondContact O-N 2.81Å; S78-L80 WeakPolarHBondContact OG-CB 3.47Å; S78-L80 PolarHBondContact OG-N 3.41Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 PolarHBondContact O-N 2.93Å; L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 2.91Å; L80-E116 HydrophobicContact CD1-CG 4.43Å; L80-E116 HydrophobicContact CG-CG 3.89Å; L80-E116 WeakPolarHBondContact CG-OE1 3.48Å; L80-Y123 HydrophobicContact CD1-CD2 4.09Å; L80-Y123 HydrophobicContact CD1-CE2 3.91Å; L80-L333 HydrophobicContact CB-CD1 4.22Å; L80-L333 HydrophobicContact CD1-CD1 4.12Å; L80-L333 HydrophobicContact CD1-CD2 4.2Å; L80-W351 HydrophobicContact CB-CZ2 4.47Å
81	D	98.6	Very high	98.6	Very high	27 Å²	27	6.5 Å²	6.5	14%	0.144	4%	0.038	C	C	.	.	H	α-helix	trans	-62.6	-52.7	165.6	-160	24.4	0	0	0	109.6	S78 S79 L83 L84 T85 V353	S78-D81 WeakPolarHBondContact O-CB 2.94Å; S78-D81 PolarHBondContact O-N 3.48Å; S79-D81 PolarHBondContact O-N 3.26Å; D81-L83 PolarHBondContact O-N 2.93Å; D81-L83 VanDerWaalsContact O-N 3.09Å; D81-L84 PolarHBondContact O-N 2.8Å; D81-L84 VanDerWaalsContact O-N 3.09Å; D81-T85 PolarHBondContact O-N 2.93Å; D81-T85 PolarHBondContact O-OG1 2.93Å; D81-T85 VanDerWaalsContact OD1-CG2 3.24Å; D81-T85 WeakPolarHBondContact OD1-CG2 3.33Å; D81-T85 PolarHBondContact OD1-OG1 2.91Å; D81-V353 HydrophobicContact CB-CG2 4.29Å
82	G	98.8	Very high	98.6	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-55.8	-31.2	173.8	0	0	0	0	0	115.1	N72 S79 E86 H87 G88	N72-G82 WeakPolarHBondContact OD1-CA 3.42Å; N72-G82 PolarHBondContact OD1-N 2.79Å; S79-G82 PolarHBondContact O-N 2.69Å; G82-E86 WeakPolarHBondContact CA-OE1 3.16Å; G82-E86 PolarHBondContact N-OE1 3.34Å; G82-E86 WeakPolarHBondContact O-CB 3.46Å; G82-H87 PolarHBondContact O-N 2.92Å; G82-H87 PolarHBondContact O-ND1 3.45Å; G82-G88 PolarHBondContact O-N 3.43Å
83	L	98.9	Very high	98.5	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.052	C	C	.	.	I	π-helix	trans	-71.4	-55.8	173.6	-165.8	158.2	0	0	0	111.1	W54 S79 L80 D81 G88 F90 Y114	W54-L83 HydrophobicContact CB-CD1 3.98Å; W54-L83 HydrophobicContact CD2-CD1 3.52Å; W54-L83 HydrophobicContact CE3-CD1 3.82Å; W54-L83 HydrophobicContact CG-CD1 3.61Å; W54-L83 HydrophobicContact CZ3-CD1 4.46Å; W54-L83 HydrophobicContact CZ3-CD2 4.45Å; S79-L83 PolarHBondContact O-N 2.91Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å; L80-L83 PolarHBondContact O-N 2.93Å; D81-L83 PolarHBondContact O-N 2.93Å; D81-L83 VanDerWaalsContact O-N 3.09Å; L83-G88 WeakPolarHBondContact O-CA 3.5Å; L83-G88 PolarHBondContact O-N 2.89Å; L83-F90 HydrophobicContact CD2-CD2 4.02Å; L83-F90 HydrophobicContact CD2-CE2 3.55Å; L83-F90 HydrophobicContact CD2-CZ 4.34Å; L83-Y114 HydrophobicContact CB-CD1 3.74Å; L83-Y114 HydrophobicContact CB-CD2 4.26Å; L83-Y114 HydrophobicContact CB-CE1 3.77Å; L83-Y114 HydrophobicContact CB-CE2 4.3Å; L83-Y114 HydrophobicContact CB-CG 3.99Å; L83-Y114 HydrophobicContact CD1-CD2 3.65Å; L83-Y114 HydrophobicContact CD1-CE2 3.99Å; L83-Y114 HydrophobicContact CD1-CG 3.98Å; L83-Y114 HydrophobicContact CG-CD1 4.48Å; L83-Y114 HydrophobicContact CG-CD2 4.14Å; L83-Y114 HydrophobicContact CG-CE1 4.39Å; L83-Y114 HydrophobicContact CG-CE2 4.05Å; L83-Y114 HydrophobicContact CG-CG 4.36Å
84	L	98.8	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-88.2	-16.2	-166.7	-66.3	177	0	0	0	114.4	L80 D81 F90 L91 I92 L99 Y332 L333	L80-L84 WeakPolarHBondContact O-CB 3.26Å; L80-L84 PolarHBondContact O-N 2.91Å; D81-L84 PolarHBondContact O-N 2.8Å; D81-L84 VanDerWaalsContact O-N 3.09Å; L84-F90 HydrophobicContact CD2-CD2 4.13Å; L84-F90 HydrophobicContact CD2-CE2 4.31Å; L84-L91 CarbonylContact O-C 3.47Å; L84-L91 WeakPolarHBondContact O-CA 3.02Å; L84-L91 WeakPolarHBondContact O-CD2 3.32Å; L84-I92 HydrophobicContact CB-CB 4.27Å; L84-I92 HydrophobicContact CB-CG2 4.02Å; L84-I92 PolarHBondContact O-N 3.14Å; L84-L99 HydrophobicContact CD2-CD2 3.96Å; L84-Y332 HydrophobicContact CD1-CD1 4.19Å; L84-L333 HydrophobicContact CD1-CD1 3.74Å; L84-L333 HydrophobicContact CD1-CD2 4.01Å; L84-L333 HydrophobicContact CD1-CG 3.89Å
85	T	98.7	Very high	98.5	Very high	35 Å²	35	19.9 Å²	19.9	22%	0.215	11%	0.106	C	C	.	.	I	π-helix	trans	-124	-20.7	-174.1	71.6	0	0	0	0	113.3	D81 I92 T452	D81-T85 PolarHBondContact O-N 2.93Å; D81-T85 PolarHBondContact O-OG1 2.93Å; D81-T85 VanDerWaalsContact OD1-CG2 3.24Å; D81-T85 WeakPolarHBondContact OD1-CG2 3.33Å; D81-T85 PolarHBondContact OD1-OG1 2.91Å; T85-I92 HydrophobicContact CG2-CG2 4.11Å; T85-T452 PolarHBondContact O-OG1 3.41Å; T85-T452 VanDerWaalsContact O-OG1 3.09Å
86	E	98.9	Very high	98.5	Very high	2 Å²	2	20 Å²	20	1%	0.009	11%	0.107	C	C	.	.	I	π-helix	trans	-109.8	-75.2	-174.2	-48.6	-175.1	-113.3	0	0	113.4	N72 G82 M449 P451 T452	N72-E86 PolarHBondContact ND2-OE1 2.95Å; G82-E86 WeakPolarHBondContact CA-OE1 3.16Å; G82-E86 PolarHBondContact N-OE1 3.34Å; G82-E86 WeakPolarHBondContact O-CB 3.46Å; E86-M449 HydrophobicContact CG-CB 4.44Å; E86-P451 HydrophobicContact CB-CB 3.98Å; E86-P451 HydrophobicContact CB-CG 4.14Å; E86-T452 WeakPolarHBondContact CG-OG1 3.37Å
87	H	98.9	Very high	98.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	14%	0.135	C	C	.	.	I	π-helix	trans	-139.8	10.8	-167.2	56.7	38.1	0	0	0	115.6	W70 G82 S105 W106 Y114 P451	W70-H87 AromaticContact CD1-CE1 3.98Å; W70-H87 AromaticContact CD2-CE1 3.38Å; W70-H87 AromaticContact CD2-NE2 3.21Å; W70-H87 AromaticContact CE2-CE1 3.58Å; W70-H87 AromaticContact CE2-NE2 3.34Å; W70-H87 VanDerWaalsContact CE2-NE2 3.34Å; W70-H87 AromaticContact CE3-CE1 3.77Å; W70-H87 AromaticContact CE3-NE2 3.18Å; W70-H87 AromaticContact CG-CE1 3.64Å; W70-H87 AromaticContact CG-NE2 3.97Å; W70-H87 AromaticContact CH2-NE2 3.41Å; W70-H87 WeakPolarHBondContact CH2-NE2 3.5Å; W70-H87 AromaticContact CZ2-NE2 3.45Å; W70-H87 WeakPolarHBondContact CZ2-NE2 3.4Å; W70-H87 AromaticContact CZ3-NE2 3.29Å; W70-H87 VanDerWaalsContact CZ3-NE2 3.29Å; W70-H87 WeakPolarHBondContact CZ3-NE2 3.38Å; W70-H87 AromaticContact NE1-CE1 3.92Å; G82-H87 PolarHBondContact O-N 2.92Å; G82-H87 PolarHBondContact O-ND1 3.45Å; H87-S105 VanDerWaalsContact O-CA 3.27Å; H87-S105 WeakPolarHBondContact O-CA 3.31Å; H87-S105 PolarHBondContact O-OG 3.11Å; H87-W106 HydrophobicContact CB-CB 4.48Å; H87-W106 HydrophobicContact CB-CD2 4.13Å; H87-W106 HydrophobicContact CB-CG 3.86Å; H87-W106 AromaticContact CD2-CD2 3.51Å; H87-W106 AromaticContact CD2-CE2 3.47Å; H87-W106 VanDerWaalsContact CD2-CE2 3.47Å; H87-W106 AromaticContact CD2-CE3 3.66Å; H87-W106 AromaticContact CD2-CH2 3.75Å; H87-W106 AromaticContact CD2-CZ2 3.61Å; H87-W106 AromaticContact CD2-CZ3 3.77Å; H87-W106 AromaticContact CG-CD2 3.81Å; H87-W106 AromaticContact CG-CE2 4Å; H87-W106 AromaticContact CG-CG 3.96Å; H87-W106 AromaticContact NE2-CE3 3.67Å; H87-W106 AromaticContact NE2-CH2 3.9Å; H87-W106 AromaticContact NE2-CZ3 3.61Å; H87-W106 PolarHBondContact O-N 3.16Å; H87-W106 VanDerWaalsContact O-N 3.09Å; H87-Y114 AromaticContact CE1-CE1 3.49Å; H87-Y114 VanDerWaalsContact CE1-CE1 3.49Å; H87-Y114 WeakPolarHBondContact CE1-CE1 3.41Å; H87-Y114 AromaticContact CE1-CZ 3.93Å; H87-Y114 AromaticContact ND1-CE1 3.64Å; H87-Y114 AromaticContact ND1-CZ 3.75Å; H87-Y114 PolarHBondContact ND1-OH 3.48Å; H87-P451 HydrophobicContact CB-CB 3.86Å; H87-P451 HydrophobicContact CB-CG 4.4Å
88	G	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	-66	167.4	170.7	0	0	0	0	0	112.9	G82 L83 F90 N102 S105 Y114	G82-G88 PolarHBondContact O-N 3.43Å; L83-G88 WeakPolarHBondContact O-CA 3.5Å; L83-G88 PolarHBondContact O-N 2.89Å; G88-F90 PolarHBondContact O-N 3.38Å; G88-N102 WeakPolarHBondContact O-CB 3.19Å; G88-N102 PolarHBondContact O-ND2 2.99Å; G88-N102 VanDerWaalsContact O-ND2 3.12Å; G88-S105 WeakPolarHBondContact O-CB 3.4Å; G88-S105 PolarHBondContact O-OG 3.46Å; G88-Y114 VanDerWaalsContact CA-OH 3.31Å; G88-Y114 WeakPolarHBondContact CA-OH 3.09Å; G88-Y114 PolarHBondContact N-OH 3.45Å
89	P	98.8	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-63	-21	-176.9	18.7	-29.7	0	0	0	113.9	F36 V56 Y101 N102 S105	F36-P89 HydrophobicContact CE1-CB 4.4Å; F36-P89 HydrophobicContact CE2-CB 4.09Å; F36-P89 HydrophobicContact CE2-CG 4.12Å; F36-P89 HydrophobicContact CZ-CB 3.51Å; F36-P89 HydrophobicContact CZ-CG 4.01Å; V56-P89 HydrophobicContact CB-CG 4.29Å; V56-P89 HydrophobicContact CG1-CG 4.07Å; V56-P89 HydrophobicContact CG2-CG 4.21Å; P89-Y101 WeakPolarHBondContact O-CA 3.26Å; P89-N102 PolarHBondContact O-N 3.22Å; P89-S105 WeakPolarHBondContact CA-OG 3.35Å; P89-S105 VanDerWaalsContact N-OG 3.09Å
90	F	98.5	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	140.4	179.8	35.3	-101.6	0	0	0	110.4	L27 L30 Q38 W54 L83 L84 G88 L99 E100	L27-F90 HydrophobicContact CD2-CD2 4.16Å; L27-F90 HydrophobicContact CD2-CE1 3.95Å; L27-F90 HydrophobicContact CD2-CE2 3.51Å; L27-F90 HydrophobicContact CD2-CZ 3.42Å; L27-F90 VanDerWaalsContact CD2-CZ 3.42Å; L30-F90 HydrophobicContact CD1-CD1 4.17Å; L30-F90 HydrophobicContact CD1-CE1 4.42Å; L30-F90 HydrophobicContact CD2-CB 4.04Å; L30-F90 HydrophobicContact CD2-CD1 4.32Å; L30-F90 HydrophobicContact CD2-CG 4.3Å; Q38-F90 VanDerWaalsContact OE1-CZ 3.31Å; W54-F90 AromaticContact CH2-CE2 3.78Å; W54-F90 HydrophobicContact CH2-CE2 3.78Å; W54-F90 HydrophobicContact CH2-CZ 4.18Å; W54-F90 AromaticContact CZ2-CE2 3.61Å; W54-F90 HydrophobicContact CZ2-CE2 3.61Å; W54-F90 AromaticContact CZ2-CZ 3.52Å; W54-F90 HydrophobicContact CZ2-CZ 3.52Å; L83-F90 HydrophobicContact CD2-CD2 4.02Å; L83-F90 HydrophobicContact CD2-CE2 3.55Å; L83-F90 HydrophobicContact CD2-CZ 4.34Å; L84-F90 HydrophobicContact CD2-CD2 4.13Å; L84-F90 HydrophobicContact CD2-CE2 4.31Å; G88-F90 PolarHBondContact O-N 3.38Å; F90-L99 HydrophobicContact CB-CB 4.2Å; F90-L99 HydrophobicContact CB-CD1 4.49Å; F90-L99 HydrophobicContact CD2-CD1 3.61Å; F90-L99 HydrophobicContact CD2-CD2 4.38Å; F90-L99 HydrophobicContact CD2-CG 4.48Å; F90-L99 HydrophobicContact CE2-CD1 4.1Å; F90-L99 HydrophobicContact CG-CD1 4.12Å; F90-E100 CarbonylContact C-O 3.55Å; F90-E100 WeakPolarHBondContact CA-O 3.13Å
91	L	98.8	Very high	98.5	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.225	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	139.3	-177.1	-54.8	178.7	0	0	0	111	L84 Q93 E100 N102	L84-L91 CarbonylContact O-C 3.47Å; L84-L91 WeakPolarHBondContact O-CA 3.02Å; L84-L91 WeakPolarHBondContact O-CD2 3.32Å; L91-Q93 PolarHBondContact O-NE2 3.48Å; L91-E100 PolarHBondContact N-O 2.93Å; L91-E100 PolarHBondContact O-N 3.45Å; L91-N102 HydrophobicContact CD1-CB 4.31Å; L91-N102 HydrophobicContact CD2-CB 4.47Å; L91-N102 HydrophobicContact CG-CB 4.04Å
92	I	98.6	Very high	98.5	Very high	21 Å²	21	36.4 Å²	36.4	11%	0.108	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	133	177.9	-173.4	57	0	0	0	111.2	L84 T85 S98 L99 P328 Y332	L84-I92 HydrophobicContact CB-CB 4.27Å; L84-I92 HydrophobicContact CB-CG2 4.02Å; L84-I92 PolarHBondContact O-N 3.14Å; T85-I92 HydrophobicContact CG2-CG2 4.11Å; I92-S98 WeakPolarHBondContact CD1-O 3.44Å; I92-L99 HydrophobicContact CB-CD2 4.19Å; I92-L99 HydrophobicContact CD1-CD2 3.97Å; I92-P328 HydrophobicContact CG1-CB 3.91Å; I92-P328 HydrophobicContact CG2-CB 4.45Å; I92-Y332 HydrophobicContact CD1-CD1 4.43Å; I92-Y332 HydrophobicContact CD1-CD2 3.8Å; I92-Y332 HydrophobicContact CD1-CG 3.67Å
93	Q	98.3	Very high	98.4	Very high	54 Å²	54	40.4 Å²	40.4	25%	0.252	21%	0.211	S	C	.	.			trans	-90.4	161.8	177.6	-58.4	-50.8	-58.3	0	0	111.8	L91 D95 G96 S98 E100 P328	L91-Q93 PolarHBondContact O-NE2 3.48Å; Q93-D95 PolarHBondContact O-N 2.92Å; Q93-G96 PolarHBondContact O-N 3.2Å; Q93-S98 WeakPolarHBondContact CB-O 3.2Å; Q93-S98 WeakPolarHBondContact CG-O 3.44Å; Q93-S98 PolarHBondContact N-O 3.35Å; Q93-E100 HydrophobicContact CG-CB 4.48Å; Q93-E100 HydrophobicContact CG-CG 3.76Å; Q93-P328 WeakPolarHBondContact O-CB 3.46Å
94	N	96.9	Very high	98.4	Very high	151 Å²	151	44.3 Å²	44.3	81%	0.807	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.1	-175.8	-72.9	-30.8	0	0	0	115	G96	N94-G96 PolarHBondContact O-N 3.39Å
95	D	97.4	Very high	98.4	Very high	70 Å²	70	44.3 Å²	44.3	37%	0.374	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-11.6	176	68.2	0.9	0	0	0	113.3	Q93 M97 S98	Q93-D95 PolarHBondContact O-N 2.92Å; D95-M97 HydrophobicContact CB-CE 4.22Å; D95-M97 PolarHBondContact O-N 2.03Å; D95-M97 PolarHBondContact OD1-N 3.33Å; D95-S98 PolarHBondContact OD1-N 3.43Å; D95-S98 VanDerWaalsContact OD2-CB 3.3Å; D95-S98 WeakPolarHBondContact OD2-CB 3.36Å; D95-S98 PolarHBondContact OD2-OG 3.36Å
96	G	97.8	Very high	98.4	Very high	2 Å²	2	42.8 Å²	42.8	2%	0.021	22%	0.217	C	C	.	.	S	Bend	trans	66.8	20.2	-177.7	0	0	0	0	0	113.7	Q93 N94 P328 Y332	Q93-G96 PolarHBondContact O-N 3.2Å; N94-G96 PolarHBondContact O-N 3.39Å; G96-P328 WeakPolarHBondContact CA-O 3.18Å; G96-Y332 VanDerWaalsContact O-CA 3.32Å; G96-Y332 WeakPolarHBondContact O-CA 3.09Å; G96-Y332 WeakPolarHBondContact O-CB 3.41Å; G96-Y332 PolarHBondContact O-N 3.07Å
97	M	97.5	Very high	98.4	Very high	118 Å²	118	42.7 Å²	42.7	58%	0.581	22%	0.216	S	C	*	.	S	Bend	trans	-135.4	-39	-175.8	-65.6	-174.8	-66.2	0	0	112.8	G29 D95	G29-M97 WeakPolarHBondContact CA-O 3.33Å; D95-M97 HydrophobicContact CB-CE 4.22Å; D95-M97 PolarHBondContact O-N 2.03Å; D95-M97 PolarHBondContact OD1-N 3.33Å
98	S	98.4	Very high	98.4	Very high	41 Å²	41	45.7 Å²	45.7	29%	0.287	23%	0.231	S	C	.	.			trans	-92.3	141.6	-173.8	-58.6	0	0	0	0	111.6	I92 Q93 D95	I92-S98 WeakPolarHBondContact CD1-O 3.44Å; Q93-S98 WeakPolarHBondContact CB-O 3.2Å; Q93-S98 WeakPolarHBondContact CG-O 3.44Å; Q93-S98 PolarHBondContact N-O 3.35Å; D95-S98 PolarHBondContact OD1-N 3.43Å; D95-S98 VanDerWaalsContact OD2-CB 3.3Å; D95-S98 WeakPolarHBondContact OD2-CB 3.36Å; D95-S98 PolarHBondContact OD2-OG 3.36Å
99	L	98.8	Very high	98.4	Very high	7 Å²	7	47.2 Å²	47.2	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	132.1	173.5	-69.6	-175.9	0	0	0	110.1	L27 G29 L30 L84 F90 I92 Y332	L27-L99 HydrophobicContact CD2-CD1 3.55Å; L27-L99 HydrophobicContact CG-CD1 4.1Å; G29-L99 PolarHBondContact O-N 2.86Å; L30-L99 HydrophobicContact CD2-CB 3.64Å; L30-L99 HydrophobicContact CD2-CD1 4.35Å; L30-L99 HydrophobicContact CG-CB 4.06Å; L30-L99 HydrophobicContact CG-CD1 4.1Å; L84-L99 HydrophobicContact CD2-CD2 3.96Å; F90-L99 HydrophobicContact CB-CB 4.2Å; F90-L99 HydrophobicContact CB-CD1 4.49Å; F90-L99 HydrophobicContact CD2-CD1 3.61Å; F90-L99 HydrophobicContact CD2-CD2 4.38Å; F90-L99 HydrophobicContact CD2-CG 4.48Å; F90-L99 HydrophobicContact CE2-CD1 4.1Å; F90-L99 HydrophobicContact CG-CD1 4.12Å; I92-L99 HydrophobicContact CB-CD2 4.19Å; I92-L99 HydrophobicContact CD1-CD2 3.97Å; L99-Y332 HydrophobicContact CD1-CE1 4.14Å; L99-Y332 HydrophobicContact CD1-CE2 4.13Å; L99-Y332 WeakPolarHBondContact CD1-OH 3.25Å; L99-Y332 HydrophobicContact CD2-CE1 4.26Å; L99-Y332 HydrophobicContact CD2-CE2 4.25Å; L99-Y332 HydrophobicContact CG-CE1 4.45Å; L99-Y332 HydrophobicContact CG-CE2 3.92Å
100	E	98.6	Very high	98.4	Very high	118 Å²	118	47.2 Å²	47.2	55%	0.551	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.5	174	-68.5	-168.8	173.4	0	0	111.4	F90 L91 Q93 N102	F90-E100 CarbonylContact C-O 3.55Å; F90-E100 WeakPolarHBondContact CA-O 3.13Å; L91-E100 PolarHBondContact N-O 2.93Å; L91-E100 PolarHBondContact O-N 3.45Å; Q93-E100 HydrophobicContact CG-CB 4.48Å; Q93-E100 HydrophobicContact CG-CG 3.76Å; E100-N102 PolarHBondContact O-N 3.04Å
101	Y	98.7	Very high	98.4	Very high	92 Å²	92	47.2 Å²	47.2	36%	0.361	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	134.5	177.6	-82.9	-94.4	0	0	0	111.5	L30 K32 P34 F36 P89 P103	L30-Y101 HydrophobicContact CD2-CD2 4.37Å; L30-Y101 HydrophobicContact CD2-CE2 3.98Å; K32-Y101 WeakPolarHBondContact O-CE2 3.39Å; K32-Y101 PolarHBondContact O-OH 2.9Å; P34-Y101 WeakPolarHBondContact CA-OH 3.36Å; F36-Y101 HydrophobicContact CE1-CE1 4.39Å; P89-Y101 WeakPolarHBondContact O-CA 3.26Å; Y101-P103 WeakPolarHBondContact O-CD 3.4Å
102	N	98.6	Very high	98.4	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.053	23%	0.228	C	C	.	.			trans	-89.4	113.6	175.7	-173.8	-5.5	0	0	0	110.7	G88 P89 L91 E100 Y104 S105	G88-N102 WeakPolarHBondContact O-CB 3.19Å; G88-N102 PolarHBondContact O-ND2 2.99Å; G88-N102 VanDerWaalsContact O-ND2 3.12Å; P89-N102 PolarHBondContact O-N 3.22Å; L91-N102 HydrophobicContact CD1-CB 4.31Å; L91-N102 HydrophobicContact CD2-CB 4.47Å; L91-N102 HydrophobicContact CG-CB 4.04Å; E100-N102 PolarHBondContact O-N 3.04Å; N102-Y104 PolarHBondContact O-N 3.45Å; N102-Y104 VanDerWaalsContact O-N 3.15Å; N102-Y104 PolarHBondContact OD1-N 2.96Å; N102-S105 PolarHBondContact O-N 3.31Å
103	P	98.1	Very high	98.4	Very high	83 Å²	83	44.2 Å²	44.2	54%	0.539	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-4.9	178.3	30	-34.4	0	0	0	113.8	Y101	Y101-P103 WeakPolarHBondContact O-CD 3.4Å
104	Y	98.5	Very high	98.5	Very high	82 Å²	82	41.6 Å²	41.6	32%	0.322	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	22	179.8	-50.6	-63.5	0	0	0	112.1	N102 W106 P455 I456	N102-Y104 PolarHBondContact O-N 3.45Å; N102-Y104 VanDerWaalsContact O-N 3.15Å; N102-Y104 PolarHBondContact OD1-N 2.96Å; Y104-W106 PolarHBondContact O-N 3.48Å; Y104-P455 HydrophobicContact CD2-CB 3.65Å; Y104-P455 HydrophobicContact CD2-CG 4.03Å; Y104-P455 HydrophobicContact CE2-CG 4.45Å; Y104-P455 HydrophobicContact CG-CB 4.05Å; Y104-I456 HydrophobicContact CD1-CG1 4.17Å; Y104-I456 HydrophobicContact CD2-CG1 4.34Å; Y104-I456 HydrophobicContact CE1-CB 4.37Å; Y104-I456 HydrophobicContact CE1-CD1 4.34Å; Y104-I456 HydrophobicContact CE1-CG1 3.66Å; Y104-I456 HydrophobicContact CE1-CG2 4.44Å; Y104-I456 HydrophobicContact CE2-CD1 4.48Å; Y104-I456 HydrophobicContact CE2-CG1 3.82Å; Y104-I456 HydrophobicContact CG-CG1 4.49Å; Y104-I456 VanDerWaalsContact CZ-CG1 3.46Å
105	S	98.8	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.173	C	C	.	.			trans	-61	138.7	178.7	-176.1	0	0	0	0	111.8	H87 G88 P89 N102 N107 M108 F459	H87-S105 VanDerWaalsContact O-CA 3.27Å; H87-S105 WeakPolarHBondContact O-CA 3.31Å; H87-S105 PolarHBondContact O-OG 3.11Å; G88-S105 WeakPolarHBondContact O-CB 3.4Å; G88-S105 PolarHBondContact O-OG 3.46Å; P89-S105 WeakPolarHBondContact CA-OG 3.35Å; P89-S105 VanDerWaalsContact N-OG 3.09Å; N102-S105 PolarHBondContact O-N 3.31Å; S105-N107 WeakPolarHBondContact CB-OD1 3.35Å; S105-N107 PolarHBondContact O-N 2.94Å; S105-N107 PolarHBondContact OG-N 3.23Å; S105-N107 PolarHBondContact OG-OD1 3.49Å; S105-M108 WeakPolarHBondContact O-CB 3.46Å; S105-M108 WeakPolarHBondContact O-CG 3.49Å; S105-M108 PolarHBondContact O-N 2.77Å; S105-M108 VanDerWaalsContact O-N 3.14Å; S105-F459 VanDerWaalsContact O-CE2 3.31Å; S105-F459 WeakPolarHBondContact O-CE2 3.45Å
106	W	98.9	Very high	98.6	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.015	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-66	-24.5	175.6	-72.2	16.4	0	0	0	112.2	W70 H87 Y104 M108 I109 A110 M112 P451 F462	W70-W106 HydrophobicContact CE3-CH2 4.35Å; W70-W106 AromaticContact CE3-CZ3 3.81Å; W70-W106 HydrophobicContact CE3-CZ3 3.81Å; W70-W106 HydrophobicContact CH2-CH2 4.49Å; W70-W106 AromaticContact CZ3-CH2 3.75Å; W70-W106 HydrophobicContact CZ3-CH2 3.75Å; W70-W106 AromaticContact CZ3-CZ3 3.69Å; W70-W106 HydrophobicContact CZ3-CZ3 3.69Å; H87-W106 HydrophobicContact CB-CB 4.48Å; H87-W106 HydrophobicContact CB-CD2 4.13Å; H87-W106 HydrophobicContact CB-CG 3.86Å; H87-W106 AromaticContact CD2-CD2 3.51Å; H87-W106 AromaticContact CD2-CE2 3.47Å; H87-W106 VanDerWaalsContact CD2-CE2 3.47Å; H87-W106 AromaticContact CD2-CE3 3.66Å; H87-W106 AromaticContact CD2-CH2 3.75Å; H87-W106 AromaticContact CD2-CZ2 3.61Å; H87-W106 AromaticContact CD2-CZ3 3.77Å; H87-W106 AromaticContact CG-CD2 3.81Å; H87-W106 AromaticContact CG-CE2 4Å; H87-W106 AromaticContact CG-CG 3.96Å; H87-W106 AromaticContact NE2-CE3 3.67Å; H87-W106 AromaticContact NE2-CH2 3.9Å; H87-W106 AromaticContact NE2-CZ3 3.61Å; H87-W106 PolarHBondContact O-N 3.16Å; H87-W106 VanDerWaalsContact O-N 3.09Å; Y104-W106 PolarHBondContact O-N 3.48Å; W106-M108 PolarHBondContact O-N 3.25Å; W106-M108 VanDerWaalsContact O-N 3.09Å; W106-I109 PolarHBondContact O-N 3.35Å; W106-A110 PolarHBondContact O-N 2.94Å; W106-M112 HydrophobicContact CB-CE 4.09Å; W106-M112 HydrophobicContact CB-CG 4.27Å; W106-M112 HydrophobicContact CB-SD 3.79Å; W106-M112 HydrophobicContact CE3-CE 3.78Å; W106-M112 HydrophobicContact CE3-SD 4.47Å; W106-P451 HydrophobicContact CZ2-CG 4.17Å; W106-F462 HydrophobicContact CB-CD1 3.9Å; W106-F462 HydrophobicContact CB-CE1 3.57Å; W106-F462 HydrophobicContact CB-CZ 3.93Å; W106-F462 AromaticContact CD1-CD1 3.94Å; W106-F462 HydrophobicContact CD2-CB 4.09Å; W106-F462 AromaticContact CD2-CD1 3.87Å; W106-F462 HydrophobicContact CD2-CD1 3.87Å; W106-F462 AromaticContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CE1 4.18Å; W106-F462 AromaticContact CD2-CE2 3.96Å; W106-F462 HydrophobicContact CD2-CE2 3.96Å; W106-F462 AromaticContact CD2-CG 3.58Å; W106-F462 HydrophobicContact CD2-CG 3.58Å; W106-F462 HydrophobicContact CD2-CZ 4.21Å; W106-F462 AromaticContact CE2-CG 3.79Å; W106-F462 HydrophobicContact CE3-CD1 4.41Å; W106-F462 AromaticContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CD2 3.45Å; W106-F462 VanDerWaalsContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CE1 4.46Å; W106-F462 AromaticContact CE3-CE2 3.5Å; W106-F462 HydrophobicContact CE3-CE2 3.5Å; W106-F462 AromaticContact CE3-CG 3.93Å; W106-F462 HydrophobicContact CE3-CG 3.93Å; W106-F462 HydrophobicContact CE3-CZ 4.03Å; W106-F462 HydrophobicContact CG-CB 4.46Å; W106-F462 AromaticContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD2 4.26Å; W106-F462 AromaticContact CG-CE1 3.81Å; W106-F462 HydrophobicContact CG-CE1 3.81Å; W106-F462 HydrophobicContact CG-CE2 4.43Å; W106-F462 AromaticContact CG-CG 3.86Å; W106-F462 HydrophobicContact CG-CG 3.86Å; W106-F462 HydrophobicContact CG-CZ 4.21Å; W106-F462 HydrophobicContact CH2-CD2 4.18Å; W106-F462 HydrophobicContact CZ2-CB 4.03Å; W106-F462 HydrophobicContact CZ2-CD2 4.32Å; W106-F462 HydrophobicContact CZ2-CG 4.32Å; W106-F462 AromaticContact CZ3-CD2 3.75Å; W106-F462 HydrophobicContact CZ3-CD2 3.75Å; W106-F462 HydrophobicContact CZ3-CE2 4.03Å; W106-F462 HydrophobicContact CZ3-CG 4.44Å; W106-F462 WeakPolarHBondContact O-CE1 3.47Å
107	N	98.9	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-69.8	-5.4	176.3	94.8	-45.9	0	0	0	113.7	F36 V56 E57 S58 Q59 S105 I109 A110 M112	F36-N107 WeakPolarHBondContact CE2-ND2 3.37Å; V56-N107 HydrophobicContact CG2-CB 3.8Å; E57-N107 PolarHBondContact O-ND2 3.3Å; S58-N107 CarbonylContact C-O 3.43Å; S58-N107 WeakPolarHBondContact CA-O 3.42Å; S58-N107 PolarHBondContact OG-O 3.23Å; Q59-N107 WeakPolarHBondContact CG-ND2 3.47Å; Q59-N107 PolarHBondContact N-O 3.49Å; Q59-N107 PolarHBondContact NE2-OD1 3.37Å; S105-N107 WeakPolarHBondContact CB-OD1 3.35Å; S105-N107 PolarHBondContact O-N 2.94Å; S105-N107 PolarHBondContact OG-N 3.23Å; S105-N107 PolarHBondContact OG-OD1 3.49Å; N107-I109 PolarHBondContact O-N 2.77Å; N107-I109 VanDerWaalsContact O-N 3.14Å; N107-A110 WeakPolarHBondContact CA-O 3.24Å; N107-M112 HydrophobicContact CB-CB 4.45Å; N107-M112 HydrophobicContact CB-CG 3.85Å
108	M	98.8	Very high	98.8	Very high	63 Å²	63	25.8 Å²	25.8	31%	0.31	13%	0.129	S	C	.	.	G	3₁₀ helix	trans	-59	-24.4	171.2	-68.4	175.8	71.7	0	0	113.1	S105 W106 F459	S105-M108 WeakPolarHBondContact O-CB 3.46Å; S105-M108 WeakPolarHBondContact O-CG 3.49Å; S105-M108 PolarHBondContact O-N 2.77Å; S105-M108 VanDerWaalsContact O-N 3.14Å; W106-M108 PolarHBondContact O-N 3.25Å; W106-M108 VanDerWaalsContact O-N 3.09Å; M108-F459 HydrophobicContact CB-CE2 3.95Å; M108-F459 HydrophobicContact CB-CZ 4.04Å; M108-F459 HydrophobicContact CE-CZ 4.48Å; M108-F459 HydrophobicContact SD-CE2 4.13Å; M108-F459 HydrophobicContact SD-CZ 4.07Å
109	I	98.8	Very high	98.8	Very high	32 Å²	32	24 Å²	24	16%	0.164	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.8	2.1	-176.6	64.8	169.7	0	0	0	114.5	W106 N107 F459 F462	W106-I109 PolarHBondContact O-N 3.35Å; N107-I109 PolarHBondContact O-N 2.77Å; N107-I109 VanDerWaalsContact O-N 3.14Å; I109-F459 HydrophobicContact CG1-CE2 4.39Å; I109-F459 HydrophobicContact CG2-CZ 4.23Å; I109-F462 HydrophobicContact CD1-CD1 3.95Å; I109-F462 HydrophobicContact CD1-CE1 3.83Å; I109-F462 HydrophobicContact CG1-CD1 4.23Å; I109-F462 HydrophobicContact CG1-CE1 3.69Å
110	A	98.9	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-144.1	154.3	-178.3	0	0	0	0	0	111.4	S58 P66 V68 W106 N107 M112 F462	S58-A110 VanDerWaalsContact CA-O 3.26Å; S58-A110 WeakPolarHBondContact CA-O 3.35Å; S58-A110 WeakPolarHBondContact CB-O 3.35Å; S58-A110 PolarHBondContact N-O 3.11Å; S58-A110 PolarHBondContact OG-N 2.66Å; P66-A110 CarbonylContact O-C 3.5Å; P66-A110 WeakPolarHBondContact O-CA 3.34Å; V68-A110 HydrophobicContact CB-CB 4.39Å; V68-A110 HydrophobicContact CG2-CB 3.65Å; W106-A110 PolarHBondContact O-N 2.94Å; N107-A110 WeakPolarHBondContact CA-O 3.24Å; A110-M112 HydrophobicContact CB-SD 4.05Å; A110-F462 HydrophobicContact CB-CE1 4.31Å; A110-F462 HydrophobicContact CB-CZ 3.89Å
111	N	98.9	Very high	98.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109.7	165.5	-53	-66.1	0	0	0	107.8	F55 V56 E57 S58 P62 S65 P66 V67 V68	F55-N111 HydrophobicContact CE2-CB 3.58Å; F55-N111 HydrophobicContact CZ-CB 3.55Å; V56-N111 CarbonylContact O-C 3.52Å; V56-N111 WeakPolarHBondContact O-CA 3.45Å; E57-N111 WeakPolarHBondContact CA-OD1 3.01Å; S58-N111 PolarHBondContact N-OD1 3Å; P62-N111 WeakPolarHBondContact CA-OD1 3.3Å; P62-N111 VanDerWaalsContact CB-OD1 3.25Å; P62-N111 WeakPolarHBondContact CB-OD1 3.25Å; P62-N111 PolarHBondContact O-ND2 2.88Å; S65-N111 PolarHBondContact O-ND2 2.77Å; P66-N111 PolarHBondContact O-N 2.84Å; P66-N111 PolarHBondContact O-ND2 3.05Å; V67-N111 CarbonylContact C-O 3.58Å; V67-N111 WeakPolarHBondContact CA-O 3.45Å; V67-N111 HydrophobicContact CG2-CB 4.37Å; V68-N111 PolarHBondContact N-O 3.36Å
112	M	98.9	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.3	-172	-63.3	-66.2	-58	0	0	110.5	F55 V56 V68 W70 W106 N107 A110 Y114 F462	F55-M112 CarbonylContact C-O 3.45Å; F55-M112 WeakPolarHBondContact CA-O 3.48Å; F55-M112 WeakPolarHBondContact CD2-O 3.39Å; V56-M112 HydrophobicContact CG2-CB 3.73Å; V56-M112 PolarHBondContact N-O 2.87Å; V56-M112 PolarHBondContact O-N 3.47Å; V68-M112 HydrophobicContact CB-CE 4.27Å; V68-M112 HydrophobicContact CB-SD 3.63Å; V68-M112 HydrophobicContact CG1-CE 3.91Å; V68-M112 HydrophobicContact CG1-SD 3.84Å; V68-M112 HydrophobicContact CG2-SD 4.31Å; V68-M112 WeakPolarHBondContact O-CA 3.35Å; W70-M112 HydrophobicContact CB-CE 4.21Å; W106-M112 HydrophobicContact CB-CE 4.09Å; W106-M112 HydrophobicContact CB-CG 4.27Å; W106-M112 HydrophobicContact CB-SD 3.79Å; W106-M112 HydrophobicContact CE3-CE 3.78Å; W106-M112 HydrophobicContact CE3-SD 4.47Å; N107-M112 HydrophobicContact CB-CB 4.45Å; N107-M112 HydrophobicContact CB-CG 3.85Å; A110-M112 HydrophobicContact CB-SD 4.05Å; M112-Y114 HydrophobicContact CB-CD2 4.25Å; M112-Y114 HydrophobicContact CB-CE2 3.55Å; M112-Y114 HydrophobicContact CG-CE2 4.47Å; M112-F462 HydrophobicContact SD-CZ 4.1Å
113	L	98.9	Very high	98.7	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.8	173.9	175.7	63.3	0	0	0	109.3	F43 Y53 F55 V68 L69 W70 L146 F149	F43-L113 HydrophobicContact CE2-CD1 4.4Å; Y53-L113 HydrophobicContact CD2-CD1 3.76Å; Y53-L113 HydrophobicContact CG-CD1 4.17Å; F55-L113 HydrophobicContact CB-CD1 4.07Å; F55-L113 HydrophobicContact CD2-CB 4Å; F55-L113 HydrophobicContact CD2-CD1 4.34Å; V68-L113 PolarHBondContact O-N 2.96Å; L69-L113 CarbonylContact C-O 2.99Å; L69-L113 WeakPolarHBondContact CA-O 3.33Å; L69-L113 HydrophobicContact CD1-CB 4.46Å; L69-L113 HydrophobicContact CD1-CD2 3.92Å; L69-L113 HydrophobicContact CD1-CG 4.01Å; W70-L113 PolarHBondContact N-O 3.48Å; L113-L146 HydrophobicContact CD2-CD2 4.05Å; L113-F149 HydrophobicContact CD1-CD2 4.13Å; L113-F149 HydrophobicContact CD1-CE2 4.3Å; L113-F149 HydrophobicContact CD2-CB 4.39Å; L113-F149 HydrophobicContact CD2-CD1 4.3Å; L113-F149 HydrophobicContact CD2-CD2 3.89Å; L113-F149 HydrophobicContact CD2-CE2 4.26Å; L113-F149 HydrophobicContact CD2-CG 3.91Å
114	Y	99	Very high	98.7	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	115.3	171.9	-60.7	-97	0	0	0	108.1	Y53 W54 V56 W70 S79 L83 H87 G88 M112	Y53-Y114 CarbonylContact C-O 3.56Å; Y53-Y114 WeakPolarHBondContact CA-O 3.35Å; W54-Y114 PolarHBondContact N-O 2.84Å; W54-Y114 WeakPolarHBondContact O-CD2 3.43Å; W54-Y114 PolarHBondContact O-N 3.21Å; V56-Y114 HydrophobicContact CG2-CE2 3.92Å; W70-Y114 HydrophobicContact CB-CD1 4Å; W70-Y114 HydrophobicContact CB-CE1 4.17Å; W70-Y114 AromaticContact CD1-CD1 3.56Å; W70-Y114 AromaticContact CD1-CE1 3.83Å; W70-Y114 HydrophobicContact CG-CD1 4.02Å; W70-Y114 HydrophobicContact CG-CE1 4.06Å; S79-Y114 VanDerWaalsContact O-CD1 3.29Å; S79-Y114 WeakPolarHBondContact O-CD1 3.39Å; L83-Y114 HydrophobicContact CB-CD1 3.74Å; L83-Y114 HydrophobicContact CB-CD2 4.26Å; L83-Y114 HydrophobicContact CB-CE1 3.77Å; L83-Y114 HydrophobicContact CB-CE2 4.3Å; L83-Y114 HydrophobicContact CB-CG 3.99Å; L83-Y114 HydrophobicContact CD1-CD2 3.65Å; L83-Y114 HydrophobicContact CD1-CE2 3.99Å; L83-Y114 HydrophobicContact CD1-CG 3.98Å; L83-Y114 HydrophobicContact CG-CD1 4.48Å; L83-Y114 HydrophobicContact CG-CD2 4.14Å; L83-Y114 HydrophobicContact CG-CE1 4.39Å; L83-Y114 HydrophobicContact CG-CE2 4.05Å; L83-Y114 HydrophobicContact CG-CG 4.36Å; H87-Y114 AromaticContact CE1-CE1 3.49Å; H87-Y114 VanDerWaalsContact CE1-CE1 3.49Å; H87-Y114 WeakPolarHBondContact CE1-CE1 3.41Å; H87-Y114 AromaticContact CE1-CZ 3.93Å; H87-Y114 AromaticContact ND1-CE1 3.64Å; H87-Y114 AromaticContact ND1-CZ 3.75Å; H87-Y114 PolarHBondContact ND1-OH 3.48Å; G88-Y114 VanDerWaalsContact CA-OH 3.31Å; G88-Y114 WeakPolarHBondContact CA-OH 3.09Å; G88-Y114 PolarHBondContact N-OH 3.45Å; M112-Y114 HydrophobicContact CB-CD2 4.25Å; M112-Y114 HydrophobicContact CB-CE2 3.55Å; M112-Y114 HydrophobicContact CG-CE2 4.47Å
115	L	98.9	Very high	98.7	Very high	2 Å²	2	7.1 Å²	7.1	1%	0.01	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.9	-176.7	-177.1	71.6	0	0	0	109.9	F43 L51 L69 W70 L71 S79 S117 A145	F43-L115 HydrophobicContact CD2-CD1 4.05Å; F43-L115 HydrophobicContact CE2-CD1 4.48Å; L51-L115 HydrophobicContact CB-CD1 3.97Å; L51-L115 HydrophobicContact CD1-CD2 4.4Å; L69-L115 HydrophobicContact CD1-CB 3.83Å; L69-L115 HydrophobicContact CD1-CD2 4.37Å; W70-L115 PolarHBondContact O-N 2.84Å; L71-L115 HydrophobicContact CD2-CB 3.86Å; L71-L115 HydrophobicContact CD2-CD2 4.27Å; L71-L115 HydrophobicContact CD2-CG 4.43Å; L71-L115 WeakPolarHBondContact CD2-O 3.33Å; S79-L115 WeakPolarHBondContact CB-O 3.43Å; S79-L115 PolarHBondContact OG-O 3.36Å; L115-S117 PolarHBondContact O-N 2.88Å; L115-A145 HydrophobicContact CD1-CB 4.42Å; L115-A145 HydrophobicContact CD2-CB 4.07Å
116	E	98.9	Very high	98.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.			trans	-75.8	106.4	173.6	-62.4	-165	119.1	0	0	109.1	H52 S78 L80 G122 Y123 S124 W351	H52-E116 HydrophobicContact CB-CB 4.32Å; H52-E116 IonicContact CG-OE2 2.91Å; H52-E116 IonicContact ND1-OE2 3.37Å; H52-E116 PolarHBondContact ND1-OE2 3.24Å; H52-E116 VanDerWaalsContact ND1-OE2 3.13Å; H52-E116 PolarHBondContact O-N 3.45Å; S78-E116 VanDerWaalsContact CB-OE1 3.27Å; S78-E116 WeakPolarHBondContact CB-OE1 3.23Å; S78-E116 PolarHBondContact OG-OE1 3.17Å; L80-E116 HydrophobicContact CD1-CG 4.43Å; L80-E116 HydrophobicContact CG-CG 3.89Å; L80-E116 WeakPolarHBondContact CG-OE1 3.48Å; E116-G122 WeakPolarHBondContact OE1-CA 3.24Å; E116-Y123 WeakPolarHBondContact OE2-CB 3.31Å; E116-Y123 WeakPolarHBondContact OE2-CD2 3.32Å; E116-Y123 PolarHBondContact OE2-N 2.86Å; E116-S124 WeakPolarHBondContact CB-OG 3.38Å; E116-S124 WeakPolarHBondContact O-CB 3.25Å; E116-S124 PolarHBondContact O-OG 3.48Å; E116-W351 PolarHBondContact OE1-NE1 2.86Å
117	S	98.8	Very high	98.6	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.014	6%	0.064	C	C	.	.			trans	-137.8	143.6	-174.4	148	0	0	0	0	110.3	L115 N142	L115-S117 PolarHBondContact O-N 2.88Å; S117-N142 VanDerWaalsContact CB-OD1 3.26Å; S117-N142 WeakPolarHBondContact CB-OD1 3.33Å; S117-N142 PolarHBondContact OG-ND2 2.72Å; S117-N142 PolarHBondContact OG-OD1 3Å
118	P	98.6	Very high	98.4	Very high	5 Å²	5	16.3 Å²	16.3	3%	0.032	9%	0.088	C	C	.	.	S	Bend	cis	-81.1	-171.5	-1.4	32.6	-38.5	0	0	0	114	G120 V121 T133 V138 V358	P118-G120 PolarHBondContact O-N 2.76Å; P118-V121 HydrophobicContact CG-CG2 4.21Å; P118-V121 VanDerWaalsContact O-CB 3.25Å; P118-V121 WeakPolarHBondContact O-CB 3.33Å; P118-V121 VanDerWaalsContact O-CG2 3.31Å; P118-V121 WeakPolarHBondContact O-CG2 3.16Å; P118-V121 PolarHBondContact O-N 3.39Å; P118-V121 VanDerWaalsContact O-N 3.16Å; P118-T133 HydrophobicContact CB-CG2 4.16Å; P118-T133 HydrophobicContact CG-CG2 3.86Å; P118-V138 HydrophobicContact CB-CG1 4.48Å; P118-V138 HydrophobicContact CB-CG2 3.71Å; P118-V138 HydrophobicContact CG-CG2 4.03Å; P118-V358 HydrophobicContact CG-CG1 3.64Å
119	A	98.5	Very high	98.2	Very high	3 Å²	3	16.7 Å²	16.7	3%	0.025	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	139.3	170.2	0	0	0	0	0	110.9	K49 L51 Y131 V358	K49-A119 HydrophobicContact CB-CB 3.98Å; K49-A119 HydrophobicContact CD-CB 3.83Å; K49-A119 HydrophobicContact CG-CB 3.79Å; L51-A119 HydrophobicContact CD2-CB 4.11Å; A119-Y131 HydrophobicContact CB-CD1 4.34Å; A119-Y131 WeakPolarHBondContact O-CD1 3.48Å; A119-V358 WeakPolarHBondContact O-CG2 3.03Å
120	G	97.8	Very high	97.9	Very high	5 Å²	5	19 Å²	19	5%	0.052	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	-5.6	-171.6	0	0	0	0	0	114.1	P118 S124 S355	P118-G120 PolarHBondContact O-N 2.76Å; G120-S124 CarbonylContact C-O 3.59Å; G120-S124 VanDerWaalsContact CA-O 3.24Å; G120-S124 WeakPolarHBondContact CA-O 3.44Å; G120-S124 PolarHBondContact N-O 3.21Å; G120-S355 WeakPolarHBondContact O-CB 3.33Å; G120-S355 PolarHBondContact O-OG 3.3Å
121	V	98.6	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-93.9	129.1	173.9	178.1	0	0	0	0	110.7	G76 C77 P118 Y123 S124 V358	G76-V121 VanDerWaalsContact CA-CG2 3.49Å; C77-V121 VanDerWaalsContact C-CG1 3.42Å; C77-V121 WeakPolarHBondContact O-CG1 3.31Å; P118-V121 HydrophobicContact CG-CG2 4.21Å; P118-V121 VanDerWaalsContact O-CB 3.25Å; P118-V121 WeakPolarHBondContact O-CB 3.33Å; P118-V121 VanDerWaalsContact O-CG2 3.31Å; P118-V121 WeakPolarHBondContact O-CG2 3.16Å; P118-V121 PolarHBondContact O-N 3.39Å; P118-V121 VanDerWaalsContact O-N 3.16Å; V121-Y123 PolarHBondContact O-N 2.72Å; V121-S124 VanDerWaalsContact O-CB 3.25Å; V121-S124 WeakPolarHBondContact O-CB 3.5Å; V121-S124 PolarHBondContact O-N 3.47Å; V121-V358 HydrophobicContact CG2-CB 4.46Å; V121-V358 HydrophobicContact CG2-CG1 4.31Å; V121-V358 HydrophobicContact CG2-CG2 4.09Å
122	G	98.4	Very high	97.7	Very high	5 Å²	5	23 Å²	23	5%	0.052	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	-118.1	178.2	0	0	0	0	0	111.5	E116 W351	E116-G122 WeakPolarHBondContact OE1-CA 3.24Å; G122-W351 VanDerWaalsContact CA-CD1 3.46Å
123	Y	98.8	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-6.1	174.5	-56.2	-60.5	0	0	0	114.5	Y42 H52 L80 E116 V121 L333 K339 L342 I344 A348 W351	Y42-Y123 VanDerWaalsContact CE1-O 3.31Å; Y42-Y123 WeakPolarHBondContact CE1-O 3.49Å; Y42-Y123 PolarHBondContact OH-O 3.07Å; H52-Y123 AromaticContact CE1-CD2 3.98Å; H52-Y123 AromaticContact ND1-CD2 3.95Å; L80-Y123 HydrophobicContact CD1-CD2 4.09Å; L80-Y123 HydrophobicContact CD1-CE2 3.91Å; E116-Y123 WeakPolarHBondContact OE2-CB 3.31Å; E116-Y123 WeakPolarHBondContact OE2-CD2 3.32Å; E116-Y123 PolarHBondContact OE2-N 2.86Å; V121-Y123 PolarHBondContact O-N 2.72Å; Y123-L333 HydrophobicContact CE2-CD2 4.21Å; Y123-L333 VanDerWaalsContact OH-CA 3.32Å; Y123-L333 WeakPolarHBondContact OH-CA 3.4Å; Y123-L333 VanDerWaalsContact OH-CB 3.25Å; Y123-L333 WeakPolarHBondContact OH-CB 3.43Å; Y123-L333 PolarHBondContact OH-O 2.88Å; Y123-K339 HydrophobicContact CE1-CG 4.25Å; Y123-L342 HydrophobicContact CE2-CD1 4.26Å; Y123-I344 HydrophobicContact CD1-CD1 4.12Å; Y123-I344 HydrophobicContact CD1-CG1 4.16Å; Y123-I344 HydrophobicContact CD1-CG2 3.56Å; Y123-I344 HydrophobicContact CD2-CD1 3.35Å; Y123-I344 HydrophobicContact CD2-CG1 4.11Å; Y123-I344 HydrophobicContact CE1-CD1 4.32Å; Y123-I344 HydrophobicContact CE1-CG1 4.03Å; Y123-I344 HydrophobicContact CE1-CG2 3.92Å; Y123-I344 HydrophobicContact CE2-CD1 3.58Å; Y123-I344 HydrophobicContact CE2-CG1 3.97Å; Y123-I344 HydrophobicContact CG-CD1 3.59Å; Y123-I344 HydrophobicContact CG-CG1 4.15Å; Y123-I344 HydrophobicContact CG-CG2 3.99Å; Y123-A348 WeakPolarHBondContact O-CB 3.46Å; Y123-W351 HydrophobicContact CD1-CB 4.1Å; Y123-W351 AromaticContact CD2-CD1 3.9Å; Y123-W351 HydrophobicContact CE1-CB 3.56Å; Y123-W351 HydrophobicContact CE1-CG 4.16Å; Y123-W351 AromaticContact CE2-CD1 3.8Å; Y123-W351 HydrophobicContact CE2-CG 4.46Å; Y123-W351 AromaticContact CZ-CD1 3.9Å
124	S	98.8	Very high	97.6	Very high	3 Å²	3	25 Å²	25	2%	0.021	14%	0.144	C	C	.	.			trans	-66.8	138.3	174.7	-62.6	0	0	0	0	110.6	H50 L51 H52 E116 G120 V121	H50-S124 CarbonylContact O-C 3.34Å; H50-S124 VanDerWaalsContact O-CA 3.27Å; H50-S124 WeakPolarHBondContact O-CA 3.43Å; H50-S124 WeakPolarHBondContact O-CB 3.36Å; L51-S124 WeakPolarHBondContact CA-OG 3.38Å; H52-S124 PolarHBondContact N-OG 2.79Å; E116-S124 WeakPolarHBondContact CB-OG 3.38Å; E116-S124 WeakPolarHBondContact O-CB 3.25Å; E116-S124 PolarHBondContact O-OG 3.48Å; G120-S124 CarbonylContact C-O 3.59Å; G120-S124 VanDerWaalsContact CA-O 3.24Å; G120-S124 WeakPolarHBondContact CA-O 3.44Å; G120-S124 PolarHBondContact N-O 3.21Å; V121-S124 VanDerWaalsContact O-CB 3.25Å; V121-S124 WeakPolarHBondContact O-CB 3.5Å; V121-S124 PolarHBondContact O-N 3.47Å
125	Y	98.5	Very high	97.6	Very high	25 Å²	25	25.1 Å²	25.1	10%	0.098	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	174.3	-174.1	71.1	-84.8	0	0	0	112	Y42 H50 S345 A348	Y42-Y125 HydrophobicContact CD1-CD1 4.41Å; Y42-Y125 HydrophobicContact CD1-CE1 4.03Å; Y42-Y125 AromaticContact CE1-CD1 3.81Å; Y42-Y125 HydrophobicContact CE1-CD1 3.81Å; Y42-Y125 AromaticContact CE1-CE1 3.66Å; Y42-Y125 HydrophobicContact CE1-CE1 3.66Å; H50-Y125 HydrophobicContact CB-CD1 4.04Å; H50-Y125 HydrophobicContact CB-CE1 3.71Å; H50-Y125 HydrophobicContact CB-CE2 4.28Å; H50-Y125 HydrophobicContact CB-CG 4.46Å; H50-Y125 AromaticContact CD2-CD2 3.94Å; H50-Y125 AromaticContact CD2-CE2 3.39Å; H50-Y125 WeakPolarHBondContact CD2-CE2 3.5Å; H50-Y125 AromaticContact CD2-CZ 3.65Å; H50-Y125 AromaticContact CG-CE2 3.95Å; H50-Y125 AromaticContact CG-CZ 3.72Å; H50-Y125 PolarHBondContact N-O 3.12Å; H50-Y125 PolarHBondContact O-N 3.38Å; Y125-S345 PolarHBondContact OH-OG 3.14Å; Y125-A348 HydrophobicContact CD1-CB 4.31Å
126	S	97.6	Very high	97.6	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	147.8	169.7	73.7	0	0	0	0	109.8	N48 D128 S129 N130	N48-S126 VanDerWaalsContact O-CA 3.23Å; N48-S126 WeakPolarHBondContact O-CA 3.46Å; N48-S126 WeakPolarHBondContact O-CB 3.42Å; S126-D128 WeakPolarHBondContact CB-OD1 3.41Å; S126-D128 PolarHBondContact O-N 3.1Å; S126-D128 PolarHBondContact OG-OD1 3.35Å; S126-S129 PolarHBondContact O-N 3.47Å; S126-S129 VanDerWaalsContact O-N 3.11Å; S126-S129 WeakPolarHBondContact OG-CA 3.35Å; S126-S129 PolarHBondContact OG-N 2.84Å; S126-S129 VanDerWaalsContact OG-N 3.12Å; S126-N130 PolarHBondContact OG-N 3.4Å
127	D	96.9	Very high	97.6	Very high	101 Å²	101	30 Å²	30	54%	0.54	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-29.2	-178	-69.1	-29.1	0	0	0	112.6	N48 H50	N48-D127 HydrophobicContact CB-CB 3.95Å; N48-D127 PolarHBondContact O-N 3.04Å; H50-D127 IonicContact CD2-OD1 2.68Å; H50-D127 IonicContact NE2-OD1 3.34Å; H50-D127 PolarHBondContact NE2-OD1 2.97Å; H50-D127 IonicContact NE2-OD2 3.78Å; H50-D127 PolarHBondContact NE2-OD2 3.42Å
128	D	94.8	Very high	97.6	Very high	93 Å²	93	29.9 Å²	29.9	50%	0.497	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-2.3	178.9	66.7	-3.7	0	0	0	113.8	S126 N130	S126-D128 WeakPolarHBondContact CB-OD1 3.41Å; S126-D128 PolarHBondContact O-N 3.1Å; S126-D128 PolarHBondContact OG-OD1 3.35Å; D128-N130 PolarHBondContact O-N 3.42Å; D128-N130 VanDerWaalsContact O-N 3.16Å; D128-N130 PolarHBondContact OD1-N 2.77Å
129	S	93.8	Very high	97.6	Very high	70 Å²	70	29.9 Å²	29.9	49%	0.49	17%	0.17	S	C	.	.			trans	53.3	26.3	-174.1	-55	0	0	0	0	114.5	S126	S126-S129 PolarHBondContact O-N 3.47Å; S126-S129 VanDerWaalsContact O-N 3.11Å; S126-S129 WeakPolarHBondContact OG-CA 3.35Å; S126-S129 PolarHBondContact OG-N 2.84Å; S126-S129 VanDerWaalsContact OG-N 3.12Å
130	N	94	Very high	97.6	Very high	82 Å²	82	33.1 Å²	33.1	44%	0.439	19%	0.185	S	C	.	.			trans	-94.3	106.8	172.3	-178.6	7	0	0	0	111	S126 D128 T132	S126-N130 PolarHBondContact OG-N 3.4Å; D128-N130 PolarHBondContact O-N 3.42Å; D128-N130 VanDerWaalsContact O-N 3.16Å; D128-N130 PolarHBondContact OD1-N 2.77Å; N130-T132 WeakPolarHBondContact OD1-CB 3.14Å; N130-T132 PolarHBondContact OD1-N 2.91Å; N130-T132 VanDerWaalsContact OD1-N 3.11Å; N130-T132 PolarHBondContact OD1-OG1 3.25Å
131	Y	96.2	Very high	97.7	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.027	18%	0.184	C	C	.	.			trans	-103.5	10.6	-178.8	-50.6	-57.8	0	0	0	114.3	A119 T133 L349 E357	A119-Y131 HydrophobicContact CB-CD1 4.34Å; A119-Y131 WeakPolarHBondContact O-CD1 3.48Å; Y131-T133 PolarHBondContact O-N 2.98Å; Y131-L349 HydrophobicContact CE2-CD1 4.19Å; Y131-E357 VanDerWaalsContact CD2-CD 3.4Å; Y131-E357 HydrophobicContact CD2-CG 4.09Å; Y131-E357 WeakPolarHBondContact CD2-OE2 3.47Å
132	T	96.7	Very high	97.7	Very high	77 Å²	77	33.2 Å²	33.2	47%	0.472	19%	0.185	S	C	.	.			trans	-66.1	126.1	172.2	-58.1	0	0	0	0	109.2	N130 N361	N130-T132 WeakPolarHBondContact OD1-CB 3.14Å; N130-T132 PolarHBondContact OD1-N 2.91Å; N130-T132 VanDerWaalsContact OD1-N 3.11Å; N130-T132 PolarHBondContact OD1-OG1 3.25Å; T132-N361 HydrophobicContact CG2-CB 4.5Å
133	T	98.2	Very high	97.7	Very high	6 Å²	6	34.5 Å²	34.5	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	-179.3	-177.7	-162.1	0	0	0	0	112.4	P118 Y131 E137 V138 Y362 N363	P118-T133 HydrophobicContact CB-CG2 4.16Å; P118-T133 HydrophobicContact CG-CG2 3.86Å; Y131-T133 PolarHBondContact O-N 2.98Å; T133-E137 WeakPolarHBondContact CA-OE2 3.18Å; T133-E137 WeakPolarHBondContact CB-OE2 3.26Å; T133-E137 VanDerWaalsContact OG1-CD 3.28Å; T133-E137 PolarHBondContact OG1-OE2 3.22Å; T133-V138 HydrophobicContact CG2-CG2 3.72Å; T133-Y362 HydrophobicContact CG2-CD2 3.72Å; T133-Y362 HydrophobicContact CG2-CE2 3.71Å; T133-N363 PolarHBondContact O-N 2.91Å
134	N	98.6	Very high	97.7	Very high	37 Å²	37	37.2 Å²	37.2	20%	0.198	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	170.9	-178.8	66.5	67.7	0	0	0	111.2	T136 E137 V138 N363 L365	N134-T136 VanDerWaalsContact C-N 3.28Å; N134-T136 PolarHBondContact O-N 3.31Å; N134-T136 VanDerWaalsContact O-N 3.16Å; N134-T136 PolarHBondContact OD1-N 3Å; N134-T136 PolarHBondContact OD1-OG1 2.72Å; N134-E137 PolarHBondContact O-N 3.11Å; N134-E137 PolarHBondContact OD1-N 3.15Å; N134-E137 VanDerWaalsContact OD1-N 3.14Å; N134-V138 WeakPolarHBondContact O-CG2 3.29Å; N134-V138 PolarHBondContact O-N 3.19Å; N134-N363 VanDerWaalsContact CA-O 3.24Å; N134-N363 WeakPolarHBondContact CA-O 3.31Å; N134-N363 HydrophobicContact CB-CB 3.97Å; N134-N363 WeakPolarHBondContact CB-O 3.4Å; N134-L365 HydrophobicContact CB-CD1 3.82Å; N134-L365 HydrophobicContact CB-CG 4.1Å; N134-L365 WeakPolarHBondContact OD1-CD1 3.16Å
135	D	98.8	Very high	97.7	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-55.5	-38.3	-174.5	-58.7	-39.8	0	0	0	114.3	S139 Y168 I171 Y362 L365 Y366	D135-S139 WeakPolarHBondContact O-CB 3.46Å; D135-S139 PolarHBondContact O-N 3.28Å; D135-Y168 WeakPolarHBondContact OD1-CE1 3.31Å; D135-Y168 PolarHBondContact OD1-OH 2.98Å; D135-I171 HydrophobicContact CB-CG2 4.3Å; D135-Y362 VanDerWaalsContact CA-OH 3.29Å; D135-Y362 WeakPolarHBondContact CA-OH 3.39Å; D135-Y362 PolarHBondContact N-OH 2.71Å; D135-Y362 WeakPolarHBondContact OD1-CE1 3.49Å; D135-Y362 PolarHBondContact OD1-OH 2.93Å; D135-L365 HydrophobicContact CB-CB 4.43Å; D135-L365 PolarHBondContact OD2-N 2.8Å; D135-Y366 HydrophobicContact CB-CD2 3.52Å; D135-Y366 HydrophobicContact CB-CE2 3.85Å; D135-Y366 PolarHBondContact OD2-N 2.9Å; D135-Y366 VanDerWaalsContact OD2-N 3.11Å
136	T	98.6	Very high	97.7	Very high	52 Å²	52	36 Å²	36	32%	0.319	20%	0.198	S	C	.	.	H	α-helix	trans	-73.7	-37.1	-176.6	61.5	0	0	0	0	112.6	N134 M140 R179 L365 Y366	N134-T136 VanDerWaalsContact C-N 3.28Å; N134-T136 PolarHBondContact O-N 3.31Å; N134-T136 VanDerWaalsContact O-N 3.16Å; N134-T136 PolarHBondContact OD1-N 3Å; N134-T136 PolarHBondContact OD1-OG1 2.72Å; T136-M140 PolarHBondContact O-N 2.98Å; T136-M140 VanDerWaalsContact O-N 3.1Å; T136-R179 PolarHBondContact O-NH2 3.18Å; T136-R179 VanDerWaalsContact O-NH2 3.14Å; T136-L365 HydrophobicContact CG2-CD1 3.86Å; T136-Y366 HydrophobicContact CG2-CE2 3.84Å
137	E	98.6	Very high	97.8	Very high	53 Å²	53	39.5 Å²	39.5	25%	0.248	21%	0.213	C	C	.	.	H	α-helix	trans	-70.3	-45.5	175.1	-175.8	-175.9	-169.4	0	0	111	K49 T133 N134 S139 M140 N141	K49-E137 WeakPolarHBondContact CE-OE1 3.19Å; K49-E137 IonicContact NZ-OE1 3.52Å; K49-E137 PolarHBondContact NZ-OE1 3.25Å; T133-E137 WeakPolarHBondContact CA-OE2 3.18Å; T133-E137 WeakPolarHBondContact CB-OE2 3.26Å; T133-E137 VanDerWaalsContact OG1-CD 3.28Å; T133-E137 PolarHBondContact OG1-OE2 3.22Å; N134-E137 PolarHBondContact O-N 3.11Å; N134-E137 PolarHBondContact OD1-N 3.15Å; N134-E137 VanDerWaalsContact OD1-N 3.14Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 2.81Å; E137-M140 PolarHBondContact O-N 3.35Å; E137-M140 VanDerWaalsContact O-N 3.15Å; E137-N141 WeakPolarHBondContact O-CB 3.23Å; E137-N141 PolarHBondContact O-N 3.45Å
138	V	98.8	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-46.9	176	175	0	0	0	0	110.9	P118 T133 N134 M140 N141 N142 Y172 Y362	P118-V138 HydrophobicContact CB-CG1 4.48Å; P118-V138 HydrophobicContact CB-CG2 3.71Å; P118-V138 HydrophobicContact CG-CG2 4.03Å; T133-V138 HydrophobicContact CG2-CG2 3.72Å; N134-V138 WeakPolarHBondContact O-CG2 3.29Å; N134-V138 PolarHBondContact O-N 3.19Å; V138-M140 VanDerWaalsContact C-N 3.29Å; V138-M140 PolarHBondContact O-N 3.32Å; V138-N141 PolarHBondContact O-N 2.82Å; V138-N142 WeakPolarHBondContact O-CB 3.49Å; V138-N142 PolarHBondContact O-N 3.22Å; V138-Y172 HydrophobicContact CG1-CD1 3.95Å; V138-Y172 HydrophobicContact CG1-CE1 3.88Å; V138-Y362 HydrophobicContact CG2-CE2 3.82Å
139	S	98.8	Very high	98	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	18%	0.178	C	C	.	.	H	α-helix	trans	-56.6	-42.4	175.3	169.2	0	0	0	0	112.1	D135 E137 F143 T175 R179	D135-S139 WeakPolarHBondContact O-CB 3.46Å; D135-S139 PolarHBondContact O-N 3.28Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 2.81Å; S139-F143 WeakPolarHBondContact O-CB 3.3Å; S139-F143 PolarHBondContact O-N 3.33Å; S139-F143 VanDerWaalsContact O-N 3.09Å; S139-T175 VanDerWaalsContact OG-C 3.32Å; S139-T175 PolarHBondContact OG-O 3.35Å; S139-R179 WeakPolarHBondContact O-CD 3.35Å; S139-R179 VanDerWaalsContact OG-CD 3.31Å; S139-R179 WeakPolarHBondContact OG-CD 3.4Å; S139-R179 PolarHBondContact OG-NE 3.3Å
140	M	98.8	Very high	98.2	Very high	71 Å²	71	30.6 Å²	30.6	35%	0.35	16%	0.157	S	C	.	.	H	α-helix	trans	-67.7	-46.2	177.1	-178.4	59.6	82.9	0	0	112.2	T136 E137 V138 N142 F143 L144 R179	T136-M140 PolarHBondContact O-N 2.98Å; T136-M140 VanDerWaalsContact O-N 3.1Å; E137-M140 PolarHBondContact O-N 3.35Å; E137-M140 VanDerWaalsContact O-N 3.15Å; V138-M140 VanDerWaalsContact C-N 3.29Å; V138-M140 PolarHBondContact O-N 3.32Å; M140-N142 VanDerWaalsContact C-N 3.33Å; M140-N142 PolarHBondContact O-N 3.17Å; M140-F143 WeakPolarHBondContact O-CB 3.33Å; M140-F143 PolarHBondContact O-N 3.04Å; M140-F143 HydrophobicContact SD-CD1 4.21Å; M140-L144 HydrophobicContact CG-CD1 4.29Å; M140-L144 WeakPolarHBondContact O-CG 3.18Å; M140-L144 PolarHBondContact O-N 3.43Å; M140-L144 HydrophobicContact SD-CG 4.4Å; M140-R179 VanDerWaalsContact CE-NH1 3.27Å
141	N	98.8	Very high	98.4	Very high	5 Å²	5	33.3 Å²	33.3	3%	0.027	17%	0.166	C	C	.	.	H	α-helix	trans	-64.6	-38.6	-179.2	-75.4	-24.3	0	0	0	111.6	V45 K49 E137 V138 L144 A145	V45-N141 HydrophobicContact CB-CB 4.44Å; V45-N141 WeakPolarHBondContact CG1-O 3.42Å; V45-N141 HydrophobicContact CG2-CB 3.89Å; K49-N141 WeakPolarHBondContact CD-ND2 3.33Å; E137-N141 WeakPolarHBondContact O-CB 3.23Å; E137-N141 PolarHBondContact O-N 3.45Å; V138-N141 PolarHBondContact O-N 2.82Å; N141-L144 PolarHBondContact O-N 2.89Å; N141-A145 WeakPolarHBondContact O-CB 3.43Å; N141-A145 PolarHBondContact O-N 2.89Å
142	N	98.9	Very high	98.4	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.011	18%	0.176	C	C	.	.	H	α-helix	trans	-66.3	-38.7	174	-71.1	-8.2	0	0	0	111.9	S117 V138 M140 A145 L146 L176	S117-N142 VanDerWaalsContact CB-OD1 3.26Å; S117-N142 WeakPolarHBondContact CB-OD1 3.33Å; S117-N142 PolarHBondContact OG-ND2 2.72Å; S117-N142 PolarHBondContact OG-OD1 3Å; V138-N142 WeakPolarHBondContact O-CB 3.49Å; V138-N142 PolarHBondContact O-N 3.22Å; M140-N142 VanDerWaalsContact C-N 3.33Å; M140-N142 PolarHBondContact O-N 3.17Å; N142-A145 PolarHBondContact O-N 2.97Å; N142-L146 WeakPolarHBondContact O-CG 3.45Å; N142-L146 PolarHBondContact O-N 3.34Å; N142-L176 HydrophobicContact CB-CD1 3.95Å; N142-L176 HydrophobicContact CB-CD2 4.03Å
143	F	98.9	Very high	98.5	Very high	33 Å²	33	30.8 Å²	30.8	15%	0.145	15%	0.154	C	C	.	.	H	α-helix	trans	-61	-45	173	173.9	-106.7	0	0	0	111.8	S139 M140 L146 K147 L176 R179 V180 D183 M186	S139-F143 WeakPolarHBondContact O-CB 3.3Å; S139-F143 PolarHBondContact O-N 3.33Å; S139-F143 VanDerWaalsContact O-N 3.09Å; M140-F143 WeakPolarHBondContact O-CB 3.33Å; M140-F143 PolarHBondContact O-N 3.04Å; M140-F143 HydrophobicContact SD-CD1 4.21Å; F143-L146 PolarHBondContact O-N 3.29Å; F143-K147 HydrophobicContact CE1-CG 4.29Å; F143-K147 HydrophobicContact CE2-CD 4.46Å; F143-K147 HydrophobicContact CZ-CD 4.11Å; F143-K147 HydrophobicContact CZ-CG 4.26Å; F143-K147 WeakPolarHBondContact O-CG 3.01Å; F143-K147 PolarHBondContact O-N 3.01Å; F143-L176 HydrophobicContact CB-CD1 3.85Å; F143-R179 HydrophobicContact CB-CB 4.16Å; F143-R179 HydrophobicContact CD2-CB 3.85Å; F143-R179 HydrophobicContact CE2-CB 4.44Å; F143-R179 HydrophobicContact CG-CB 3.96Å; F143-V180 HydrophobicContact CD2-CG2 4.04Å; F143-D183 HydrophobicContact CE2-CB 3.9Å; F143-D183 HydrophobicContact CZ-CB 4.01Å; F143-M186 HydrophobicContact CD2-CE 4.45Å; F143-M186 HydrophobicContact CE2-CE 4.1Å
144	L	98.8	Very high	98.4	Very high	57 Å²	57	32.5 Å²	32.5	30%	0.298	17%	0.165	S	C	.	.	H	α-helix	trans	-64.2	-38.9	175.5	-66.5	175.3	0	0	0	112.2	V45 A46 M140 N141 L146 K147 E148	V45-L144 HydrophobicContact CB-CB 4.12Å; V45-L144 HydrophobicContact CG1-CB 3.95Å; A46-L144 HydrophobicContact CB-CD1 3.79Å; M140-L144 HydrophobicContact CG-CD1 4.29Å; M140-L144 WeakPolarHBondContact O-CG 3.18Å; M140-L144 PolarHBondContact O-N 3.43Å; M140-L144 HydrophobicContact SD-CG 4.4Å; N141-L144 PolarHBondContact O-N 2.89Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 2.79Å; L144-K147 WeakPolarHBondContact O-CB 3.21Å; L144-K147 PolarHBondContact O-N 2.61Å; L144-K147 VanDerWaalsContact O-N 3.13Å; L144-E148 PolarHBondContact O-N 3.21Å
145	A	98.9	Very high	98.3	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-40.2	174.3	0	0	0	0	0	111.7	F43 V45 L51 L115 N141 N142 K147 E148 F149	F43-A145 HydrophobicContact CB-CB 4.02Å; F43-A145 HydrophobicContact CD2-CB 4.13Å; F43-A145 HydrophobicContact CG-CB 4.41Å; V45-A145 HydrophobicContact CG1-CB 3.91Å; L51-A145 HydrophobicContact CD1-CB 4.05Å; L115-A145 HydrophobicContact CD1-CB 4.42Å; L115-A145 HydrophobicContact CD2-CB 4.07Å; N141-A145 WeakPolarHBondContact O-CB 3.43Å; N141-A145 PolarHBondContact O-N 2.89Å; N142-A145 PolarHBondContact O-N 2.97Å; A145-K147 VanDerWaalsContact C-N 3.32Å; A145-K147 PolarHBondContact O-N 3.07Å; A145-E148 PolarHBondContact O-N 2.87Å; A145-F149 WeakPolarHBondContact O-CB 3.43Å; A145-F149 PolarHBondContact O-N 3.39Å
146	L	98.9	Very high	98.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-36.1	173.3	-69	178.5	0	0	0	112.4	L69 L113 N142 F143 L144 F149 F150 F161 L163 L176 V180 M186	L69-L146 HydrophobicContact CD1-CD2 4.39Å; L69-L146 HydrophobicContact CD2-CD1 4.48Å; L69-L146 HydrophobicContact CD2-CD2 4.33Å; L113-L146 HydrophobicContact CD2-CD2 4.05Å; N142-L146 WeakPolarHBondContact O-CG 3.45Å; N142-L146 PolarHBondContact O-N 3.34Å; F143-L146 PolarHBondContact O-N 3.29Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 2.79Å; L146-F149 PolarHBondContact O-N 3.13Å; L146-F150 WeakPolarHBondContact O-CD2 2.98Å; L146-F150 PolarHBondContact O-N 3.43Å; L146-F161 HydrophobicContact CD1-CE1 3.87Å; L146-F161 HydrophobicContact CD1-CZ 3.7Å; L146-F161 HydrophobicContact CD2-CE1 4.5Å; L146-F161 HydrophobicContact CD2-CE2 4.39Å; L146-F161 HydrophobicContact CD2-CZ 3.66Å; L146-F161 HydrophobicContact CG-CZ 4.29Å; L146-L163 HydrophobicContact CD1-CD2 4Å; L146-L176 HydrophobicContact CD1-CD1 4.13Å; L146-L176 HydrophobicContact CD1-CD2 4.05Å; L146-L176 HydrophobicContact CD1-CG 4.34Å; L146-V180 HydrophobicContact CD1-CG2 3.8Å; L146-M186 HydrophobicContact CB-CE 3.75Å; L146-M186 HydrophobicContact CB-SD 4.15Å; L146-M186 HydrophobicContact CD1-SD 4.45Å
147	K	98.5	Very high	98.2	Very high	77 Å²	77	35 Å²	35	34%	0.335	17%	0.173	S	C	.	.	H	α-helix	trans	-62.6	-44.3	172.9	-64.1	-68.8	-71.7	-175	0	111.4	F143 L144 A145 K151 D183 S185 M186	F143-K147 HydrophobicContact CE1-CG 4.29Å; F143-K147 HydrophobicContact CE2-CD 4.46Å; F143-K147 HydrophobicContact CZ-CD 4.11Å; F143-K147 HydrophobicContact CZ-CG 4.26Å; F143-K147 WeakPolarHBondContact O-CG 3.01Å; F143-K147 PolarHBondContact O-N 3.01Å; L144-K147 WeakPolarHBondContact O-CB 3.21Å; L144-K147 PolarHBondContact O-N 2.61Å; L144-K147 VanDerWaalsContact O-N 3.13Å; A145-K147 VanDerWaalsContact C-N 3.32Å; A145-K147 PolarHBondContact O-N 3.07Å; K147-K151 VanDerWaalsContact O-CB 3.32Å; K147-K151 WeakPolarHBondContact O-CB 3.49Å; K147-K151 PolarHBondContact O-N 2.92Å; K147-K151 VanDerWaalsContact O-N 3.12Å; K147-D183 VanDerWaalsContact CD-OD2 3.28Å; K147-D183 WeakPolarHBondContact CD-OD2 3.49Å; K147-D183 WeakPolarHBondContact CE-OD2 3.22Å; K147-D183 IonicContact NZ-OD1 3.13Å; K147-D183 IonicContact NZ-OD2 2.71Å; K147-D183 PolarHBondContact NZ-OD2 3.07Å; K147-S185 PolarHBondContact NZ-OG 3.05Å; K147-M186 HydrophobicContact CD-CE 3.38Å; K147-M186 HydrophobicContact CG-CE 3.88Å
148	E	98.4	Very high	98.1	Very high	65 Å²	65	41 Å²	41	30%	0.304	20%	0.198	S	C	.	.	H	α-helix	trans	-68.2	-36.9	176.3	-69.6	-58.6	127.4	0	0	111.8	F43 L144 A145 K151 A152	F43-E148 HydrophobicContact CB-CB 4.1Å; F43-E148 HydrophobicContact CD1-CB 3.69Å; F43-E148 HydrophobicContact CG-CB 4.12Å; L144-E148 PolarHBondContact O-N 3.21Å; A145-E148 PolarHBondContact O-N 2.87Å; E148-K151 PolarHBondContact O-N 3.47Å; E148-K151 IonicContact OE1-NZ 2.78Å; E148-K151 PolarHBondContact OE1-NZ 3.27Å; E148-K151 IonicContact OE2-NZ 3.74Å; E148-K151 PolarHBondContact OE2-NZ 3.4Å; E148-A152 WeakPolarHBondContact O-CB 3.25Å; E148-A152 PolarHBondContact O-N 3.42Å
149	F	98.6	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-56.5	-56	172.3	170.2	-100	0	0	0	111.4	F43 F55 V67 L113 A145 L146 K151 A152 F153 Y156	F43-F149 HydrophobicContact CE1-CB 4.11Å; F43-F149 HydrophobicContact CE2-CB 3.88Å; F43-F149 HydrophobicContact CE2-CD2 4.35Å; F43-F149 HydrophobicContact CZ-CB 3.62Å; F43-F149 AromaticContact CZ-CD2 3.83Å; F43-F149 HydrophobicContact CZ-CD2 3.83Å; F43-F149 HydrophobicContact CZ-CG 4.23Å; F55-F149 HydrophobicContact CD1-CE2 4.34Å; F55-F149 AromaticContact CD2-CE2 3.87Å; F55-F149 HydrophobicContact CD2-CE2 3.87Å; F55-F149 HydrophobicContact CD2-CZ 4.17Å; F55-F149 HydrophobicContact CE1-CE2 4.44Å; F55-F149 AromaticContact CE2-CE2 3.94Å; F55-F149 HydrophobicContact CE2-CE2 3.94Å; F55-F149 AromaticContact CE2-CZ 3.78Å; F55-F149 HydrophobicContact CE2-CZ 3.78Å; F55-F149 HydrophobicContact CG-CE2 4.06Å; F55-F149 HydrophobicContact CZ-CE2 4.22Å; F55-F149 HydrophobicContact CZ-CZ 4Å; V67-F149 HydrophobicContact CG1-CE1 3.84Å; V67-F149 HydrophobicContact CG1-CZ 4.01Å; L113-F149 HydrophobicContact CD1-CD2 4.13Å; L113-F149 HydrophobicContact CD1-CE2 4.3Å; L113-F149 HydrophobicContact CD2-CB 4.39Å; L113-F149 HydrophobicContact CD2-CD1 4.3Å; L113-F149 HydrophobicContact CD2-CD2 3.89Å; L113-F149 HydrophobicContact CD2-CE2 4.26Å; L113-F149 HydrophobicContact CD2-CG 3.91Å; A145-F149 WeakPolarHBondContact O-CB 3.43Å; A145-F149 PolarHBondContact O-N 3.39Å; L146-F149 PolarHBondContact O-N 3.13Å; F149-K151 PolarHBondContact O-N 2.62Å; F149-A152 PolarHBondContact O-N 3.02Å; F149-F153 AromaticContact CD2-CD2 3.56Å; F149-F153 HydrophobicContact CD2-CD2 3.56Å; F149-F153 AromaticContact CD2-CE2 3.94Å; F149-F153 HydrophobicContact CD2-CE2 3.94Å; F149-F153 HydrophobicContact CD2-CG 4.4Å; F149-F153 HydrophobicContact CE2-CB 4.35Å; F149-F153 AromaticContact CE2-CD2 3.56Å; F149-F153 HydrophobicContact CE2-CD2 3.56Å; F149-F153 HydrophobicContact CE2-CE2 4Å; F149-F153 HydrophobicContact CE2-CG 4.01Å; F149-F153 HydrophobicContact CG-CD2 4.4Å; F149-F153 HydrophobicContact CZ-CB 4.4Å; F149-F153 HydrophobicContact CZ-CD2 4.4Å; F149-F153 HydrophobicContact CZ-CG 4.5Å; F149-F153 WeakPolarHBondContact O-CD2 3.48Å; F149-F153 PolarHBondContact O-N 2.97Å; F149-Y156 HydrophobicContact CZ-CD2 4.39Å
150	F	98.2	Very high	98.1	Very high	11 Å²	11	44.5 Å²	44.5	5%	0.048	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-17.3	-178	-74.3	-62.7	0	0	0	114	L146 P154 I157 F161 M186	L146-F150 WeakPolarHBondContact O-CD2 2.98Å; L146-F150 PolarHBondContact O-N 3.43Å; F150-P154 VanDerWaalsContact O-CA 3.3Å; F150-P154 WeakPolarHBondContact O-CA 3.29Å; F150-I157 HydrophobicContact CB-CD1 3.59Å; F150-I157 HydrophobicContact CD1-CB 4.5Å; F150-I157 HydrophobicContact CD1-CD1 3.95Å; F150-I157 HydrophobicContact CD2-CD1 4.44Å; F150-I157 HydrophobicContact CG-CD1 3.76Å; F150-F161 HydrophobicContact CE2-CD1 4.19Å; F150-F161 HydrophobicContact CE2-CE1 4.1Å; F150-F161 HydrophobicContact CE2-CG 4.44Å; F150-F161 HydrophobicContact CE2-CZ 4.29Å; F150-F161 HydrophobicContact CZ-CB 4.42Å; F150-F161 HydrophobicContact CZ-CD1 4.11Å; F150-F161 AromaticContact CZ-CD2 3.97Å; F150-F161 HydrophobicContact CZ-CD2 3.97Å; F150-F161 HydrophobicContact CZ-CE1 4.35Å; F150-F161 HydrophobicContact CZ-CE2 4.24Å; F150-F161 AromaticContact CZ-CG 3.91Å; F150-F161 HydrophobicContact CZ-CG 3.91Å; F150-F161 HydrophobicContact CZ-CZ 4.42Å; F150-M186 HydrophobicContact CD2-CE 4.07Å; F150-M186 HydrophobicContact CD2-CG 3.91Å; F150-M186 HydrophobicContact CD2-SD 4.05Å; F150-M186 HydrophobicContact CE2-CB 4.44Å; F150-M186 HydrophobicContact CE2-CE 4.43Å; F150-M186 HydrophobicContact CE2-CG 3.83Å; F150-M186 HydrophobicContact CE2-SD 3.84Å
151	K	97.1	Very high	98.1	Very high	140 Å²	140	41.1 Å²	41.1	61%	0.609	20%	0.198	S	C	*	.	H	α-helix	trans	-79.2	-37.3	170.1	177.8	-168.9	169.9	-162	0	111.9	K147 E148 F149	K147-K151 VanDerWaalsContact O-CB 3.32Å; K147-K151 WeakPolarHBondContact O-CB 3.49Å; K147-K151 PolarHBondContact O-N 2.92Å; K147-K151 VanDerWaalsContact O-N 3.12Å; E148-K151 PolarHBondContact O-N 3.47Å; E148-K151 IonicContact OE1-NZ 2.78Å; E148-K151 PolarHBondContact OE1-NZ 3.27Å; E148-K151 IonicContact OE2-NZ 3.74Å; E148-K151 PolarHBondContact OE2-NZ 3.4Å; F149-K151 PolarHBondContact O-N 2.62Å
152	A	97.3	Very high	98.2	Very high	30 Å²	30	40.9 Å²	40.9	25%	0.248	20%	0.197	C	C	.	.	H	α-helix	trans	-75.9	-30.9	176.4	0	0	0	0	0	112.4	P19 F43 E148 F149 P154	P19-A152 WeakPolarHBondContact CD-O 3.08Å; P19-A152 HydrophobicContact CG-CB 4.39Å; F43-A152 HydrophobicContact CE1-CB 4.44Å; E148-A152 WeakPolarHBondContact O-CB 3.25Å; E148-A152 PolarHBondContact O-N 3.42Å; F149-A152 PolarHBondContact O-N 3.02Å; A152-P154 WeakPolarHBondContact O-CD 3.18Å
153	F	97.8	Very high	98.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.196	C	C	.	.			trans	-123.3	63.9	178.5	-55.9	-98	0	0	0	111.3	A18 P19 Y39 F43 Y53 F55 F149 E155 Y156	A18-F153 HydrophobicContact CB-CD1 3.55Å; A18-F153 HydrophobicContact CB-CE1 3.64Å; P19-F153 HydrophobicContact CG-CE1 4.35Å; P19-F153 HydrophobicContact CG-CE2 4.1Å; P19-F153 HydrophobicContact CG-CZ 3.81Å; Y39-F153 HydrophobicContact CD1-CE1 4.04Å; Y39-F153 HydrophobicContact CD1-CZ 4.21Å; Y39-F153 AromaticContact CD2-CE1 3.84Å; Y39-F153 HydrophobicContact CD2-CE1 3.84Å; Y39-F153 HydrophobicContact CD2-CZ 4.31Å; Y39-F153 HydrophobicContact CE1-CE1 4.28Å; Y39-F153 HydrophobicContact CE2-CE1 4.09Å; Y39-F153 AromaticContact CG-CE1 3.81Å; Y39-F153 HydrophobicContact CG-CE1 3.81Å; Y39-F153 AromaticContact CG-CZ 3.91Å; Y39-F153 HydrophobicContact CG-CZ 3.91Å; F43-F153 HydrophobicContact CZ-CE2 4.5Å; Y53-F153 HydrophobicContact CE2-CE2 4.02Å; Y53-F153 HydrophobicContact CE2-CZ 4.01Å; Y53-F153 WeakPolarHBondContact OH-CZ 3.17Å; F55-F153 HydrophobicContact CD1-CD1 4.31Å; F55-F153 AromaticContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CE1 3.85Å; F55-F153 HydrophobicContact CD1-CZ 4.13Å; F55-F153 HydrophobicContact CE1-CD1 4.18Å; F55-F153 HydrophobicContact CE1-CE1 4.15Å; F149-F153 AromaticContact CD2-CD2 3.56Å; F149-F153 HydrophobicContact CD2-CD2 3.56Å; F149-F153 AromaticContact CD2-CE2 3.94Å; F149-F153 HydrophobicContact CD2-CE2 3.94Å; F149-F153 HydrophobicContact CD2-CG 4.4Å; F149-F153 HydrophobicContact CE2-CB 4.35Å; F149-F153 AromaticContact CE2-CD2 3.56Å; F149-F153 HydrophobicContact CE2-CD2 3.56Å; F149-F153 HydrophobicContact CE2-CE2 4Å; F149-F153 HydrophobicContact CE2-CG 4.01Å; F149-F153 HydrophobicContact CG-CD2 4.4Å; F149-F153 HydrophobicContact CZ-CB 4.4Å; F149-F153 HydrophobicContact CZ-CD2 4.4Å; F149-F153 HydrophobicContact CZ-CG 4.5Å; F149-F153 WeakPolarHBondContact O-CD2 3.48Å; F149-F153 PolarHBondContact O-N 2.97Å; F153-E155 VanDerWaalsContact C-OE2 3.22Å; F153-E155 WeakPolarHBondContact CA-OE2 3.3Å; F153-E155 PolarHBondContact O-N 3.41Å; F153-E155 VanDerWaalsContact O-N 3.14Å; F153-Y156 HydrophobicContact CB-CD2 3.68Å; F153-Y156 HydrophobicContact CB-CE2 4.29Å; F153-Y156 HydrophobicContact CD1-CD2 4.35Å; F153-Y156 HydrophobicContact CD1-CE2 4.16Å; F153-Y156 HydrophobicContact CG-CD2 4.36Å; F153-Y156 PolarHBondContact O-N 3.47Å
154	P	97.1	Very high	98.2	Very high	42 Å²	42	39.2 Å²	39.2	27%	0.273	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-62.6	-20.9	-174.8	27.4	-36.2	0	0	0	113.9	L16 F150 A152 Y156 I157	L16-P154 WeakPolarHBondContact O-CD 3.42Å; L16-P154 VanDerWaalsContact O-CG 3.23Å; L16-P154 WeakPolarHBondContact O-CG 3.35Å; F150-P154 VanDerWaalsContact O-CA 3.3Å; F150-P154 WeakPolarHBondContact O-CA 3.29Å; A152-P154 WeakPolarHBondContact O-CD 3.18Å; P154-Y156 PolarHBondContact O-N 3.49Å; P154-I157 VanDerWaalsContact O-CG2 3.23Å; P154-I157 WeakPolarHBondContact O-CG2 3.34Å; P154-I157 PolarHBondContact O-N 3.02Å
155	E	96.9	Very high	98.2	Very high	83 Å²	83	36.5 Å²	36.5	39%	0.388	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-59	-27.4	173.2	58	-93.6	-129.4	0	0	113.2	A18 F153 N159	A18-E155 WeakPolarHBondContact CB-OE1 3.21Å; A18-E155 PolarHBondContact N-OE1 2.95Å; F153-E155 VanDerWaalsContact C-OE2 3.22Å; F153-E155 WeakPolarHBondContact CA-OE2 3.3Å; F153-E155 PolarHBondContact O-N 3.41Å; F153-E155 VanDerWaalsContact O-N 3.14Å; E155-N159 PolarHBondContact O-OD1 3.29Å
156	Y	98.3	Very high	98.2	Very high	6 Å²	6	36.6 Å²	36.6	2%	0.024	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-93.2	-3.4	-177.3	-65.1	-56.5	0	0	0	114.7	F55 E57 P62 V67 F149 F153 P154 K158 N159	F55-Y156 HydrophobicContact CE1-CD2 4.1Å; F55-Y156 AromaticContact CE1-CE2 3.5Å; F55-Y156 HydrophobicContact CE1-CE2 3.5Å; F55-Y156 AromaticContact CZ-CD2 3.85Å; F55-Y156 HydrophobicContact CZ-CD2 3.85Å; F55-Y156 AromaticContact CZ-CE2 3.56Å; F55-Y156 HydrophobicContact CZ-CE2 3.56Å; E57-Y156 WeakPolarHBondContact CG-OH 3.48Å; E57-Y156 PolarHBondContact OE1-OH 3.32Å; P62-Y156 WeakPolarHBondContact O-CE1 3.37Å; V67-Y156 HydrophobicContact CG2-CD1 4.22Å; V67-Y156 HydrophobicContact CG2-CG 4.02Å; F149-Y156 HydrophobicContact CZ-CD2 4.39Å; F153-Y156 HydrophobicContact CB-CD2 3.68Å; F153-Y156 HydrophobicContact CB-CE2 4.29Å; F153-Y156 HydrophobicContact CD1-CD2 4.35Å; F153-Y156 HydrophobicContact CD1-CE2 4.16Å; F153-Y156 HydrophobicContact CG-CD2 4.36Å; F153-Y156 PolarHBondContact O-N 3.47Å; P154-Y156 PolarHBondContact O-N 3.49Å; Y156-K158 PolarHBondContact O-N 3.48Å; Y156-K158 VanDerWaalsContact O-N 3.1Å; Y156-N159 WeakPolarHBondContact CA-OD1 3.47Å; Y156-N159 WeakPolarHBondContact O-CB 3.41Å; Y156-N159 PolarHBondContact O-N 3.02Å; Y156-N159 PolarHBondContact O-OD1 2.88Å
157	I	96.4	Very high	98.2	Very high	54 Å²	54	37.1 Å²	37.1	28%	0.277	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-28.9	-175.8	-165.5	73.9	0	0	0	113.1	F150 P154 S185	F150-I157 HydrophobicContact CB-CD1 3.59Å; F150-I157 HydrophobicContact CD1-CB 4.5Å; F150-I157 HydrophobicContact CD1-CD1 3.95Å; F150-I157 HydrophobicContact CD2-CD1 4.44Å; F150-I157 HydrophobicContact CG-CD1 3.76Å; P154-I157 VanDerWaalsContact O-CG2 3.23Å; P154-I157 WeakPolarHBondContact O-CG2 3.34Å; P154-I157 PolarHBondContact O-N 3.02Å; I157-S185 WeakPolarHBondContact CD1-O 3.36Å; I157-S185 WeakPolarHBondContact CG1-O 3.22Å
158	K	96.9	Very high	98.2	Very high	179 Å²	179	33.5 Å²	33.5	78%	0.778	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-16.6	-179.2	-64.9	-174.3	-178.6	175.8	0	113.1	Y156 N187	Y156-K158 PolarHBondContact O-N 3.48Å; Y156-K158 VanDerWaalsContact O-N 3.1Å; K158-N187 PolarHBondContact O-ND2 3.14Å
159	N	98.7	Very high	98.2	Very high	14 Å²	14	30.4 Å²	30.4	8%	0.075	15%	0.148	C	C	.	.	S	Bend	trans	-65.3	148.6	-176.4	-64.7	50.6	0	0	0	109.4	A63 S65 V67 E155 Y156 F161 N187	A63-N159 PolarHBondContact O-ND2 3.45Å; S65-N159 PolarHBondContact O-ND2 3.24Å; V67-N159 HydrophobicContact CG2-CB 4.17Å; E155-N159 PolarHBondContact O-OD1 3.29Å; Y156-N159 WeakPolarHBondContact CA-OD1 3.47Å; Y156-N159 WeakPolarHBondContact O-CB 3.41Å; Y156-N159 PolarHBondContact O-N 3.02Å; Y156-N159 PolarHBondContact O-OD1 2.88Å; N159-F161 PolarHBondContact O-N 3.38Å; N159-N187 WeakPolarHBondContact O-CB 3.46Å; N159-N187 PolarHBondContact O-ND2 3.09Å
160	E	98.8	Very high	98.2	Very high	63 Å²	63	30.4 Å²	30.4	29%	0.294	15%	0.148	S	C	.	.			trans	-55.8	130.6	170	-71	-164.6	143.8	0	0	109.3	P66 V67 F162 Q189 K468	P66-E160 CarbonylContact C-O 3.5Å; P66-E160 WeakPolarHBondContact CA-O 3.27Å; P66-E160 HydrophobicContact CB-CB 4.1Å; P66-E160 WeakPolarHBondContact CB-O 3.49Å; P66-E160 HydrophobicContact CG-CB 4.22Å; V67-E160 PolarHBondContact N-O 3.03Å; E160-F162 HydrophobicContact CB-CE2 3.89Å; E160-Q189 HydrophobicContact CB-CB 4.5Å; E160-Q189 HydrophobicContact CB-CG 3.61Å; E160-Q189 HydrophobicContact CG-CG 3.65Å; E160-K468 IonicContact OE1-NZ 2.69Å; E160-K468 PolarHBondContact OE1-NZ 3.28Å
161	F	98.9	Very high	98.2	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.9	-176.5	-179	-134.3	0	0	0	111.1	V67 L69 L146 F150 N159 L163 V180 M186 N187 L188 Q189	V67-F161 HydrophobicContact CB-CD2 3.95Å; V67-F161 HydrophobicContact CG1-CD2 3.83Å; V67-F161 HydrophobicContact CG1-CE2 4Å; V67-F161 CarbonylContact O-C 3.57Å; V67-F161 WeakPolarHBondContact O-CA 3.44Å; V67-F161 WeakPolarHBondContact O-CD2 3.12Å; L69-F161 HydrophobicContact CB-CE2 4.14Å; L69-F161 HydrophobicContact CB-CZ 4.31Å; L146-F161 HydrophobicContact CD1-CE1 3.87Å; L146-F161 HydrophobicContact CD1-CZ 3.7Å; L146-F161 HydrophobicContact CD2-CE1 4.5Å; L146-F161 HydrophobicContact CD2-CE2 4.39Å; L146-F161 HydrophobicContact CD2-CZ 3.66Å; L146-F161 HydrophobicContact CG-CZ 4.29Å; F150-F161 HydrophobicContact CE2-CD1 4.19Å; F150-F161 HydrophobicContact CE2-CE1 4.1Å; F150-F161 HydrophobicContact CE2-CG 4.44Å; F150-F161 HydrophobicContact CE2-CZ 4.29Å; F150-F161 HydrophobicContact CZ-CB 4.42Å; F150-F161 HydrophobicContact CZ-CD1 4.11Å; F150-F161 AromaticContact CZ-CD2 3.97Å; F150-F161 HydrophobicContact CZ-CD2 3.97Å; F150-F161 HydrophobicContact CZ-CE1 4.35Å; F150-F161 HydrophobicContact CZ-CE2 4.24Å; F150-F161 AromaticContact CZ-CG 3.91Å; F150-F161 HydrophobicContact CZ-CG 3.91Å; F150-F161 HydrophobicContact CZ-CZ 4.42Å; N159-F161 PolarHBondContact O-N 3.38Å; F161-L163 HydrophobicContact CE1-CD2 3.53Å; F161-L163 HydrophobicContact CE1-CG 4.3Å; F161-L163 HydrophobicContact CE2-CD2 4.13Å; F161-L163 HydrophobicContact CZ-CD2 3.29Å; F161-L163 HydrophobicContact CZ-CG 4.36Å; F161-V180 HydrophobicContact CD1-CG1 4.27Å; F161-V180 HydrophobicContact CE1-CG1 4.1Å; F161-M186 HydrophobicContact CD1-CB 4.4Å; F161-M186 HydrophobicContact CE1-SD 4.26Å; F161-N187 WeakPolarHBondContact CB-O 3.45Å; F161-N187 PolarHBondContact N-O 3.25Å; F161-L188 HydrophobicContact CD1-CD1 4.34Å; F161-L188 CarbonylContact O-C 3.48Å; F161-L188 WeakPolarHBondContact O-CA 3.37Å; F161-Q189 PolarHBondContact O-N 2.93Å
162	F	98.9	Very high	98.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	142.8	177.6	-62.3	-95	0	0	0	111.1	P66 V67 V68 L69 E160 Q189 G190 F465 I466	P66-F162 HydrophobicContact CB-CD2 3.97Å; P66-F162 HydrophobicContact CB-CE2 3.9Å; P66-F162 HydrophobicContact CG-CE2 4.27Å; V67-F162 PolarHBondContact O-N 3.04Å; V68-F162 WeakPolarHBondContact CA-O 3.3Å; V68-F162 HydrophobicContact CG2-CB 4.22Å; V68-F162 HydrophobicContact CG2-CD2 4.37Å; L69-F162 PolarHBondContact N-O 3.26Å; E160-F162 HydrophobicContact CB-CE2 3.89Å; F162-Q189 HydrophobicContact CD1-CB 4.18Å; F162-Q189 HydrophobicContact CD2-CB 4.49Å; F162-Q189 HydrophobicContact CE1-CB 3.62Å; F162-Q189 HydrophobicContact CE2-CB 3.97Å; F162-Q189 HydrophobicContact CE2-CG 4.49Å; F162-Q189 HydrophobicContact CZ-CB 3.5Å; F162-Q189 VanDerWaalsContact CZ-CB 3.5Å; F162-Q189 HydrophobicContact CZ-CG 4.32Å; F162-G190 WeakPolarHBondContact CA-O 3.2Å; F162-F465 HydrophobicContact CB-CE1 4.38Å; F162-F465 HydrophobicContact CD1-CD1 4.46Å; F162-F465 AromaticContact CD1-CE1 3.45Å; F162-F465 HydrophobicContact CD1-CE1 3.45Å; F162-F465 VanDerWaalsContact CD1-CE1 3.45Å; F162-F465 AromaticContact CD1-CZ 3.58Å; F162-F465 HydrophobicContact CD1-CZ 3.58Å; F162-F465 AromaticContact CE1-CE1 3.95Å; F162-F465 HydrophobicContact CE1-CE1 3.95Å; F162-F465 HydrophobicContact CE1-CZ 4Å; F162-F465 HydrophobicContact CG-CE1 4.12Å; F162-I466 HydrophobicContact CB-CD1 4.39Å; F162-I466 HydrophobicContact CD1-CD1 4.24Å; F162-I466 HydrophobicContact CD2-CD1 3.61Å; F162-I466 HydrophobicContact CE1-CD1 4.41Å; F162-I466 HydrophobicContact CE2-CD1 3.82Å; F162-I466 HydrophobicContact CG-CD1 3.83Å; F162-I466 HydrophobicContact CZ-CD1 4.21Å
163	L	99	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.8	174	-54.7	170.8	0	0	0	108.8	L69 L146 F161 I173 L176 A177 V180 L188 G190 I191 A192	L69-L163 HydrophobicContact CB-CD2 4.04Å; L69-L163 HydrophobicContact CD2-CD2 3.65Å; L69-L163 HydrophobicContact CG-CD2 4.49Å; L146-L163 HydrophobicContact CD1-CD2 4Å; F161-L163 HydrophobicContact CE1-CD2 3.53Å; F161-L163 HydrophobicContact CE1-CG 4.3Å; F161-L163 HydrophobicContact CE2-CD2 4.13Å; F161-L163 HydrophobicContact CZ-CD2 3.29Å; F161-L163 HydrophobicContact CZ-CG 4.36Å; L163-I173 HydrophobicContact CB-CD1 4.13Å; L163-I173 HydrophobicContact CB-CG2 3.96Å; L163-L176 HydrophobicContact CD1-CD2 4.47Å; L163-L176 HydrophobicContact CD1-CG 4.18Å; L163-L176 HydrophobicContact CD2-CD2 4.06Å; L163-A177 HydrophobicContact CD1-CB 3.69Å; L163-V180 HydrophobicContact CD1-CB 4.34Å; L163-V180 HydrophobicContact CD1-CG2 4.2Å; L163-L188 HydrophobicContact CD1-CD1 3.97Å; L163-L188 HydrophobicContact CG-CD1 3.85Å; L163-G190 PolarHBondContact N-O 3.39Å; L163-G190 VanDerWaalsContact N-O 3.13Å; L163-I191 HydrophobicContact CB-CG2 3.95Å; L163-I191 HydrophobicContact CD1-CG2 4.29Å; L163-I191 CarbonylContact O-C 3.6Å; L163-I191 WeakPolarHBondContact O-CA 3.36Å; L163-I191 WeakPolarHBondContact O-CB 3.23Å; L163-A192 PolarHBondContact O-N 3.37Å
164	T	99	Very high	98.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	152	-178.8	66.9	0	0	0	0	111.7	V68 L69 W70 L71 I173 A192	V68-T164 HydrophobicContact CG1-CG2 3.76Å; V68-T164 WeakPolarHBondContact CG1-OG1 3.45Å; L69-T164 CarbonylContact O-C 3.41Å; L69-T164 WeakPolarHBondContact O-CA 3.19Å; L69-T164 WeakPolarHBondContact O-CB 3.42Å; L69-T164 PolarHBondContact O-N 2.59Å; L69-T164 VanDerWaalsContact O-O 3.05Å; L69-T164 PolarHBondContact O-OG1 3.31Å; W70-T164 CarbonylContact C-O 3.46Å; W70-T164 VanDerWaalsContact CA-O 3.27Å; W70-T164 WeakPolarHBondContact CA-O 3.25Å; L71-T164 PolarHBondContact N-O 2.93Å; T164-I173 WeakPolarHBondContact O-CD1 3.48Å; T164-A192 WeakPolarHBondContact CA-O 3.04Å; T164-A192 HydrophobicContact CG2-CB 3.9Å
165	G	98.8	Very high	98.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	177.9	177.6	0	0	0	0	0	113	L71 A192 V193 G194	L71-G165 CarbonylContact O-C 3.44Å; L71-G165 WeakPolarHBondContact O-CA 3.35Å; G165-A192 PolarHBondContact N-O 3.25Å; G165-V193 WeakPolarHBondContact O-CA 3.46Å; G165-G194 PolarHBondContact O-N 3.41Å
166	E	98.9	Very high	98.6	Very high	4 Å²	4	16.1 Å²	16.1	2%	0.019	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.3	-173.2	-176.8	173.5	104.4	0	0	112.1	W70 L71 G73 Y168 G169 G194 H448 M449	W70-E166 HydrophobicContact CH2-CB 3.77Å; W70-E166 HydrophobicContact CZ2-CB 3.81Å; L71-E166 PolarHBondContact O-N 2.85Å; G73-E166 PolarHBondContact N-O 3.02Å; E166-Y168 PolarHBondContact O-N 2.78Å; E166-G169 VanDerWaalsContact O-CA 3.26Å; E166-G169 WeakPolarHBondContact O-CA 3.3Å; E166-G169 PolarHBondContact O-N 2.96Å; E166-G194 CarbonylContact C-O 3.53Å; E166-G194 WeakPolarHBondContact CA-O 3.2Å; E166-G194 WeakPolarHBondContact CG-O 3.24Å; E166-H448 VanDerWaalsContact CD-O 3.28Å; E166-H448 IonicContact OE1-CD2 3.55Å; E166-H448 VanDerWaalsContact OE2-O 3.06Å; E166-M449 WeakPolarHBondContact OE1-CG 3.35Å; E166-M449 WeakPolarHBondContact OE2-CA 3.24Å
167	S	98.7	Very high	98.6	Very high	10 Å²	10	15.9 Å²	15.9	7%	0.07	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	-124.1	169.7	-165.7	0	0	0	0	111.8	G169 G170 G194 N195 G196 M197 H448	S167-G169 PolarHBondContact O-N 3.46Å; S167-G170 PolarHBondContact O-N 3.03Å; S167-G194 PolarHBondContact N-O 3Å; S167-N195 WeakPolarHBondContact CA-O 3.28Å; S167-N195 PolarHBondContact N-O 3.09Å; S167-G196 WeakPolarHBondContact O-CA 3.4Å; S167-M197 PolarHBondContact O-N 3.45Å; S167-H448 WeakPolarHBondContact CB-NE2 3.4Å; S167-H448 PolarHBondContact OG-CE1 3.18Å; S167-H448 PolarHBondContact OG-NE2 2.67Å
168	Y	98.9	Very high	98.7	Very high	1 Å²	1	15.8 Å²	15.8	0%	0.004	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-13.7	169	-153.5	-83.2	0	0	0	113.1	P75 D135 E166 G170 I171 Y172 Y200 Y362 R364	P75-Y168 HydrophobicContact CB-CD1 4.02Å; P75-Y168 HydrophobicContact CB-CD2 4.32Å; P75-Y168 HydrophobicContact CB-CE1 4.14Å; P75-Y168 HydrophobicContact CB-CE2 4.36Å; P75-Y168 HydrophobicContact CB-CG 4.13Å; P75-Y168 HydrophobicContact CG-CD2 4.21Å; P75-Y168 HydrophobicContact CG-CE2 4.06Å; D135-Y168 WeakPolarHBondContact OD1-CE1 3.31Å; D135-Y168 PolarHBondContact OD1-OH 2.98Å; E166-Y168 PolarHBondContact O-N 2.78Å; Y168-G170 PolarHBondContact O-N 3.07Å; Y168-G170 VanDerWaalsContact O-N 3.1Å; Y168-I171 HydrophobicContact CD1-CB 4.03Å; Y168-I171 HydrophobicContact CD1-CG1 4.35Å; Y168-I171 HydrophobicContact CE1-CB 3.73Å; Y168-I171 HydrophobicContact CE1-CG1 4.04Å; Y168-I171 HydrophobicContact CE1-CG2 3.97Å; Y168-I171 HydrophobicContact CE2-CG1 4.39Å; Y168-I171 PolarHBondContact O-N 3.2Å; Y168-Y172 AromaticContact CD1-CD1 3.88Å; Y168-Y172 HydrophobicContact CD1-CD1 3.88Å; Y168-Y172 HydrophobicContact CD1-CD2 4.3Å; Y168-Y172 AromaticContact CD1-CE1 3.35Å; Y168-Y172 HydrophobicContact CD1-CE1 3.35Å; Y168-Y172 AromaticContact CD1-CE2 3.83Å; Y168-Y172 HydrophobicContact CD1-CE2 3.83Å; Y168-Y172 HydrophobicContact CD1-CG 4.33Å; Y168-Y172 AromaticContact CD1-CZ 3.33Å; Y168-Y172 HydrophobicContact CE1-CD1 4.05Å; Y168-Y172 AromaticContact CE1-CE1 3.47Å; Y168-Y172 HydrophobicContact CE1-CE1 3.47Å; Y168-Y172 VanDerWaalsContact CE1-CE1 3.47Å; Y168-Y172 AromaticContact CE1-CZ 3.87Å; Y168-Y172 PolarHBondContact O-N 2.87Å; Y168-Y200 WeakPolarHBondContact CE2-OH 3.36Å; Y168-Y362 HydrophobicContact CE1-CE1 4.07Å; Y168-Y362 AromaticContact CZ-CE1 3.9Å; Y168-Y362 WeakPolarHBondContact OH-CE1 3.48Å; Y168-R364 HydrophobicContact CE2-CG 4.33Å; Y168-R364 WeakPolarHBondContact OH-CG 3.38Å
169	G	98.6	Very high	98.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-50.9	-24.9	161.6	0	0	0	0	0	113.5	E166 S167 I171 Y172 I173	E166-G169 VanDerWaalsContact O-CA 3.26Å; E166-G169 WeakPolarHBondContact O-CA 3.3Å; E166-G169 PolarHBondContact O-N 2.96Å; S167-G169 PolarHBondContact O-N 3.46Å; G169-I171 PolarHBondContact O-N 2.03Å; G169-Y172 PolarHBondContact O-N 3.18Å; G169-I173 VanDerWaalsContact O-CB 3.28Å; G169-I173 WeakPolarHBondContact O-CB 3.49Å; G169-I173 VanDerWaalsContact O-CG1 3.24Å; G169-I173 WeakPolarHBondContact O-CG1 3.41Å; G169-I173 PolarHBondContact O-N 2.92Å
170	G	98.8	Very high	98.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.3	-21	169.9	0	0	0	0	0	115.2	S167 Y168 P174 M197	S167-G170 PolarHBondContact O-N 3.03Å; Y168-G170 PolarHBondContact O-N 3.07Å; Y168-G170 VanDerWaalsContact O-N 3.1Å; G170-P174 WeakPolarHBondContact O-CD 3.19Å; G170-P174 VanDerWaalsContact O-CG 3.23Å; G170-P174 WeakPolarHBondContact O-CG 3.39Å; G170-M197 CarbonylContact C-O 3.5Å
171	I	98.9	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-92.1	-44.5	167.8	-56.7	-62.5	0	0	0	110.5	D135 Y168 G169 T175 M197 V369	D135-I171 HydrophobicContact CB-CG2 4.3Å; Y168-I171 HydrophobicContact CD1-CB 4.03Å; Y168-I171 HydrophobicContact CD1-CG1 4.35Å; Y168-I171 HydrophobicContact CE1-CB 3.73Å; Y168-I171 HydrophobicContact CE1-CG1 4.04Å; Y168-I171 HydrophobicContact CE1-CG2 3.97Å; Y168-I171 HydrophobicContact CE2-CG1 4.39Å; Y168-I171 PolarHBondContact O-N 3.2Å; G169-I171 PolarHBondContact O-N 2.03Å; I171-T175 HydrophobicContact CG2-CG2 4.47Å; I171-T175 WeakPolarHBondContact O-CB 3.34Å; I171-T175 VanDerWaalsContact O-CG2 3.28Å; I171-T175 WeakPolarHBondContact O-CG2 3.23Å; I171-T175 PolarHBondContact O-N 3.15Å; I171-T175 PolarHBondContact O-OG1 3.37Å; I171-M197 WeakPolarHBondContact CD1-O 3.5Å; I171-M197 HydrophobicContact CG1-CB 4.47Å; I171-M197 HydrophobicContact CG1-CG 4.48Å; I171-M197 WeakPolarHBondContact CG1-O 3.47Å; I171-V369 HydrophobicContact CD1-CG1 3.76Å
172	Y	98.9	Very high	98.6	Very high	3 Å²	3	15.2 Å²	15.2	1%	0.012	7%	0.07	C	C	.	.	H	α-helix	trans	-62.3	-46.2	-176.4	-59.3	-33.5	0	0	0	113	P75 V138 Y168 G169 T175 L176 Y362	P75-Y172 VanDerWaalsContact CA-OH 3.25Å; P75-Y172 WeakPolarHBondContact CA-OH 3.01Å; P75-Y172 WeakPolarHBondContact CB-OH 3.46Å; V138-Y172 HydrophobicContact CG1-CD1 3.95Å; V138-Y172 HydrophobicContact CG1-CE1 3.88Å; Y168-Y172 AromaticContact CD1-CD1 3.88Å; Y168-Y172 HydrophobicContact CD1-CD1 3.88Å; Y168-Y172 HydrophobicContact CD1-CD2 4.3Å; Y168-Y172 AromaticContact CD1-CE1 3.35Å; Y168-Y172 HydrophobicContact CD1-CE1 3.35Å; Y168-Y172 AromaticContact CD1-CE2 3.83Å; Y168-Y172 HydrophobicContact CD1-CE2 3.83Å; Y168-Y172 HydrophobicContact CD1-CG 4.33Å; Y168-Y172 AromaticContact CD1-CZ 3.33Å; Y168-Y172 HydrophobicContact CE1-CD1 4.05Å; Y168-Y172 AromaticContact CE1-CE1 3.47Å; Y168-Y172 HydrophobicContact CE1-CE1 3.47Å; Y168-Y172 VanDerWaalsContact CE1-CE1 3.47Å; Y168-Y172 AromaticContact CE1-CZ 3.87Å; Y168-Y172 PolarHBondContact O-N 2.87Å; G169-Y172 PolarHBondContact O-N 3.18Å; Y172-T175 PolarHBondContact O-OG1 3.35Å; Y172-T175 VanDerWaalsContact O-OG1 3.08Å; Y172-L176 WeakPolarHBondContact O-CB 3.4Å; Y172-L176 PolarHBondContact O-N 2.96Å; Y172-Y362 HydrophobicContact CE1-CE2 4.5Å; Y172-Y362 WeakPolarHBondContact CE1-OH 3.2Å
173	I	98.9	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-69.1	-50.1	-172.1	-63.9	-64.9	0	0	0	111.8	L71 L163 T164 G169 T175 L176 A177 I191 V193	L71-I173 HydrophobicContact CB-CD1 4.3Å; L71-I173 HydrophobicContact CD1-CD1 3.87Å; L71-I173 HydrophobicContact CG-CD1 4.2Å; L163-I173 HydrophobicContact CB-CD1 4.13Å; L163-I173 HydrophobicContact CB-CG2 3.96Å; T164-I173 WeakPolarHBondContact O-CD1 3.48Å; G169-I173 VanDerWaalsContact O-CB 3.28Å; G169-I173 WeakPolarHBondContact O-CB 3.49Å; G169-I173 VanDerWaalsContact O-CG1 3.24Å; G169-I173 WeakPolarHBondContact O-CG1 3.41Å; G169-I173 PolarHBondContact O-N 2.92Å; I173-T175 PolarHBondContact O-N 3.31Å; I173-L176 PolarHBondContact O-N 3.09Å; I173-A177 WeakPolarHBondContact O-CB 3.44Å; I173-A177 PolarHBondContact O-N 3.24Å; I173-I191 HydrophobicContact CG2-CB 3.81Å; I173-I191 HydrophobicContact CG2-CD1 4.16Å; I173-I191 HydrophobicContact CG2-CG2 4.09Å; I173-V193 HydrophobicContact CB-CG2 3.99Å; I173-V193 HydrophobicContact CG2-CG2 3.98Å
174	P	98.8	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-37.5	179.3	-23.7	37.2	0	0	0	113	G170 A177 E178 V369 Q372 Y373	G170-P174 WeakPolarHBondContact O-CD 3.19Å; G170-P174 VanDerWaalsContact O-CG 3.23Å; G170-P174 WeakPolarHBondContact O-CG 3.39Å; P174-A177 PolarHBondContact O-N 2.96Å; P174-E178 PolarHBondContact O-N 3.12Å; P174-E178 VanDerWaalsContact O-N 3.09Å; P174-V369 HydrophobicContact CB-CB 4.12Å; P174-V369 HydrophobicContact CB-CG1 4.37Å; P174-V369 HydrophobicContact CB-CG2 4.48Å; P174-V369 HydrophobicContact CG-CB 4.31Å; P174-V369 HydrophobicContact CG-CG2 4.16Å; P174-Q372 HydrophobicContact CB-CB 3.68Å; P174-Q372 HydrophobicContact CB-CG 4.42Å; P174-Y373 HydrophobicContact CB-CD2 4.13Å; P174-Y373 HydrophobicContact CB-CE2 3.99Å; P174-Y373 HydrophobicContact CG-CD2 4.02Å; P174-Y373 HydrophobicContact CG-CE2 3.37Å
175	T	98.9	Very high	98.1	Very high	4 Å²	4	24.2 Å²	24.2	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-69.5	-36.1	177	57.7	0	0	0	0	112.1	S139 I171 Y172 I173 Y366 V369 Q372	S139-T175 VanDerWaalsContact OG-C 3.32Å; S139-T175 PolarHBondContact OG-O 3.35Å; I171-T175 HydrophobicContact CG2-CG2 4.47Å; I171-T175 WeakPolarHBondContact O-CB 3.34Å; I171-T175 VanDerWaalsContact O-CG2 3.28Å; I171-T175 WeakPolarHBondContact O-CG2 3.23Å; I171-T175 PolarHBondContact O-N 3.15Å; I171-T175 PolarHBondContact O-OG1 3.37Å; Y172-T175 PolarHBondContact O-OG1 3.35Å; Y172-T175 VanDerWaalsContact O-OG1 3.08Å; I173-T175 PolarHBondContact O-N 3.31Å; T175-Y366 HydrophobicContact CG2-CD2 3.95Å; T175-Y366 HydrophobicContact CG2-CE2 3.9Å; T175-V369 HydrophobicContact CG2-CG1 4.5Å; T175-Q372 HydrophobicContact CG2-CG 4.25Å
176	L	98.9	Very high	98	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.6	-43.9	172.4	177.2	58	0	0	0	111.6	L69 L71 N142 F143 L146 L163 Y172 I173 E178 R179 V180	L69-L176 HydrophobicContact CD2-CD2 3.55Å; L71-L176 HydrophobicContact CD1-CD2 4.36Å; N142-L176 HydrophobicContact CB-CD1 3.95Å; N142-L176 HydrophobicContact CB-CD2 4.03Å; F143-L176 HydrophobicContact CB-CD1 3.85Å; L146-L176 HydrophobicContact CD1-CD1 4.13Å; L146-L176 HydrophobicContact CD1-CD2 4.05Å; L146-L176 HydrophobicContact CD1-CG 4.34Å; L163-L176 HydrophobicContact CD1-CD2 4.47Å; L163-L176 HydrophobicContact CD1-CG 4.18Å; L163-L176 HydrophobicContact CD2-CD2 4.06Å; Y172-L176 WeakPolarHBondContact O-CB 3.4Å; Y172-L176 PolarHBondContact O-N 2.96Å; I173-L176 PolarHBondContact O-N 3.09Å; L176-E178 PolarHBondContact O-N 3.11Å; L176-R179 WeakPolarHBondContact O-CB 3.44Å; L176-R179 PolarHBondContact O-N 3.19Å; L176-V180 HydrophobicContact CD1-CG2 4.02Å; L176-V180 HydrophobicContact CG-CG2 4.15Å; L176-V180 WeakPolarHBondContact O-CG2 3.48Å; L176-V180 PolarHBondContact O-N 3.04Å
177	A	98.8	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60	-35.7	-180	0	0	0	0	0	112.2	L163 I173 P174 R179 V180 M181 I191 L376	L163-A177 HydrophobicContact CD1-CB 3.69Å; I173-A177 WeakPolarHBondContact O-CB 3.44Å; I173-A177 PolarHBondContact O-N 3.24Å; P174-A177 PolarHBondContact O-N 2.96Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 3.44Å; A177-V180 PolarHBondContact O-N 2.98Å; A177-M181 WeakPolarHBondContact O-CB 3.37Å; A177-M181 VanDerWaalsContact O-CG 3.29Å; A177-M181 WeakPolarHBondContact O-CG 3.19Å; A177-M181 PolarHBondContact O-N 2.96Å; A177-I191 HydrophobicContact CB-CG2 3.82Å; A177-L376 HydrophobicContact CB-CD1 3.78Å; A177-L376 HydrophobicContact CB-CD2 3.83Å; A177-L376 HydrophobicContact CB-CG 4.38Å
178	E	97.9	Very high	98	Very high	52 Å²	52	27.2 Å²	27.2	24%	0.243	15%	0.152	C	C	.	.	H	α-helix	trans	-58.7	-34.4	172.4	176.5	168	-143.8	0	0	113	P174 L176 M181 K375	P174-E178 PolarHBondContact O-N 3.12Å; P174-E178 VanDerWaalsContact O-N 3.09Å; L176-E178 PolarHBondContact O-N 3.11Å; E178-M181 WeakPolarHBondContact O-CG 3.38Å; E178-K375 HydrophobicContact CG-CD 3.9Å; E178-K375 WeakPolarHBondContact OE1-CD 3.11Å; E178-K375 IonicContact OE1-NZ 2.72Å; E178-K375 PolarHBondContact OE1-NZ 2.97Å
179	R	98.2	Very high	97.9	Very high	67 Å²	67	28.9 Å²	28.9	25%	0.253	16%	0.16	S	C	.	.	H	α-helix	trans	-79	-45.8	175.4	-59.2	-175.9	179.8	-76	6.4	111.6	T136 S139 M140 F143 L176 A177 M181 E182	T136-R179 PolarHBondContact O-NH2 3.18Å; T136-R179 VanDerWaalsContact O-NH2 3.14Å; S139-R179 WeakPolarHBondContact O-CD 3.35Å; S139-R179 VanDerWaalsContact OG-CD 3.31Å; S139-R179 WeakPolarHBondContact OG-CD 3.4Å; S139-R179 PolarHBondContact OG-NE 3.3Å; M140-R179 VanDerWaalsContact CE-NH1 3.27Å; F143-R179 HydrophobicContact CB-CB 4.16Å; F143-R179 HydrophobicContact CD2-CB 3.85Å; F143-R179 HydrophobicContact CE2-CB 4.44Å; F143-R179 HydrophobicContact CG-CB 3.96Å; L176-R179 WeakPolarHBondContact O-CB 3.44Å; L176-R179 PolarHBondContact O-N 3.19Å; A177-R179 VanDerWaalsContact C-N 3.25Å; A177-R179 PolarHBondContact O-N 3.44Å; R179-M181 VanDerWaalsContact C-N 3.29Å; R179-M181 PolarHBondContact O-N 2.72Å; R179-E182 PolarHBondContact O-N 2.8Å; R179-E182 VanDerWaalsContact O-N 3.15Å
180	V	98.6	Very high	98	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-62.8	-37	-178.3	174.7	0	0	0	0	111.2	F143 L146 F161 L163 L176 A177 E182 D183 M186 L188	F143-V180 HydrophobicContact CD2-CG2 4.04Å; L146-V180 HydrophobicContact CD1-CG2 3.8Å; F161-V180 HydrophobicContact CD1-CG1 4.27Å; F161-V180 HydrophobicContact CE1-CG1 4.1Å; L163-V180 HydrophobicContact CD1-CB 4.34Å; L163-V180 HydrophobicContact CD1-CG2 4.2Å; L176-V180 HydrophobicContact CD1-CG2 4.02Å; L176-V180 HydrophobicContact CG-CG2 4.15Å; L176-V180 WeakPolarHBondContact O-CG2 3.48Å; L176-V180 PolarHBondContact O-N 3.04Å; A177-V180 PolarHBondContact O-N 2.98Å; V180-E182 PolarHBondContact O-N 3.44Å; V180-D183 PolarHBondContact O-N 2.89Å; V180-M186 HydrophobicContact CG1-CB 4.02Å; V180-M186 HydrophobicContact CG1-SD 3.86Å; V180-M186 HydrophobicContact CG2-SD 4.15Å; V180-L188 HydrophobicContact CB-CD2 4.31Å; V180-L188 HydrophobicContact CG1-CB 3.92Å; V180-L188 HydrophobicContact CG1-CD1 4.3Å; V180-L188 HydrophobicContact CG1-CD2 3.93Å; V180-L188 HydrophobicContact CG1-CG 4.27Å
181	M	97.3	Very high	98	Very high	37 Å²	37	29 Å²	29	18%	0.182	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.2	178.5	68.9	178.4	-61.9	0	0	113.9	A177 E178 R179 L188 K375 L376 A379 Y382	A177-M181 WeakPolarHBondContact O-CB 3.37Å; A177-M181 VanDerWaalsContact O-CG 3.29Å; A177-M181 WeakPolarHBondContact O-CG 3.19Å; A177-M181 PolarHBondContact O-N 2.96Å; E178-M181 WeakPolarHBondContact O-CG 3.38Å; R179-M181 VanDerWaalsContact C-N 3.29Å; R179-M181 PolarHBondContact O-N 2.72Å; M181-L188 HydrophobicContact CB-CD2 4.37Å; M181-K375 HydrophobicContact CE-CG 4.06Å; M181-K375 HydrophobicContact SD-CD 4.12Å; M181-K375 HydrophobicContact SD-CG 3.85Å; M181-L376 HydrophobicContact CB-CD2 4.43Å; M181-L376 HydrophobicContact SD-CD2 3.79Å; M181-L376 HydrophobicContact SD-CG 4.42Å; M181-A379 HydrophobicContact CE-CB 4.23Å; M181-Y382 WeakPolarHBondContact CA-OH 3.24Å; M181-Y382 HydrophobicContact CB-CE2 3.9Å; M181-Y382 WeakPolarHBondContact CB-OH 3.4Å; M181-Y382 HydrophobicContact CE-CE2 4.05Å
182	E	96.3	Very high	98	Very high	140 Å²	140	29.1 Å²	29.1	65%	0.654	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-13.5	177.3	-64.9	178.3	176.9	0	0	112.4	R179 V180 K375	R179-E182 PolarHBondContact O-N 2.8Å; R179-E182 VanDerWaalsContact O-N 3.15Å; V180-E182 PolarHBondContact O-N 3.44Å; E182-K375 IonicContact OE1-NZ 3.8Å; E182-K375 PolarHBondContact OE1-NZ 2.83Å
183	D	96.6	Very high	98	Very high	30 Å²	30	29 Å²	29	16%	0.16	16%	0.162	C	C	.	.			trans	-100.3	98	176.9	-167.8	-24	0	0	0	111.5	F143 K147 V180 S185 M186	F143-D183 HydrophobicContact CE2-CB 3.9Å; F143-D183 HydrophobicContact CZ-CB 4.01Å; K147-D183 VanDerWaalsContact CD-OD2 3.28Å; K147-D183 WeakPolarHBondContact CD-OD2 3.49Å; K147-D183 WeakPolarHBondContact CE-OD2 3.22Å; K147-D183 IonicContact NZ-OD1 3.13Å; K147-D183 IonicContact NZ-OD2 2.71Å; K147-D183 PolarHBondContact NZ-OD2 3.07Å; V180-D183 PolarHBondContact O-N 2.89Å; D183-S185 VanDerWaalsContact CG-OG 3.26Å; D183-S185 PolarHBondContact O-N 3.22Å; D183-S185 VanDerWaalsContact OD1-CB 3.27Å; D183-S185 WeakPolarHBondContact OD1-CB 3.43Å; D183-S185 PolarHBondContact OD1-N 3.42Å; D183-S185 PolarHBondContact OD1-OG 2.89Å; D183-S185 PolarHBondContact OD2-OG 3.33Å; D183-M186 PolarHBondContact O-N 3.27Å; D183-M186 VanDerWaalsContact O-N 3.11Å
184	A	94.4	Very high	98	Very high	108 Å²	108	29 Å²	29	89%	0.893	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-10.2	180	0	0	0	0	0	114.6	M186	A184-M186 VanDerWaalsContact C-N 3.31Å
185	S	95.7	Very high	98	Very high	52 Å²	52	29 Å²	29	36%	0.364	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-22	174.3	68.5	0	0	0	0	113	K147 I157 D183	K147-S185 PolarHBondContact NZ-OG 3.05Å; I157-S185 WeakPolarHBondContact CD1-O 3.36Å; I157-S185 WeakPolarHBondContact CG1-O 3.22Å; D183-S185 VanDerWaalsContact CG-OG 3.26Å; D183-S185 PolarHBondContact O-N 3.22Å; D183-S185 VanDerWaalsContact OD1-CB 3.27Å; D183-S185 WeakPolarHBondContact OD1-CB 3.43Å; D183-S185 PolarHBondContact OD1-N 3.42Å; D183-S185 PolarHBondContact OD1-OG 2.89Å; D183-S185 PolarHBondContact OD2-OG 3.33Å
186	M	96.9	Very high	97.9	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.049	16%	0.161	C	C	.	.	S	Bend	trans	-97.4	124.8	177.7	-61.6	-173.3	-166	0	0	110.8	F143 L146 K147 F150 F161 V180 D183 A184 L188	F143-M186 HydrophobicContact CD2-CE 4.45Å; F143-M186 HydrophobicContact CE2-CE 4.1Å; L146-M186 HydrophobicContact CB-CE 3.75Å; L146-M186 HydrophobicContact CB-SD 4.15Å; L146-M186 HydrophobicContact CD1-SD 4.45Å; K147-M186 HydrophobicContact CD-CE 3.38Å; K147-M186 HydrophobicContact CG-CE 3.88Å; F150-M186 HydrophobicContact CD2-CE 4.07Å; F150-M186 HydrophobicContact CD2-CG 3.91Å; F150-M186 HydrophobicContact CD2-SD 4.05Å; F150-M186 HydrophobicContact CE2-CB 4.44Å; F150-M186 HydrophobicContact CE2-CE 4.43Å; F150-M186 HydrophobicContact CE2-CG 3.83Å; F150-M186 HydrophobicContact CE2-SD 3.84Å; F161-M186 HydrophobicContact CD1-CB 4.4Å; F161-M186 HydrophobicContact CE1-SD 4.26Å; V180-M186 HydrophobicContact CG1-CB 4.02Å; V180-M186 HydrophobicContact CG1-SD 3.86Å; V180-M186 HydrophobicContact CG2-SD 4.15Å; D183-M186 PolarHBondContact O-N 3.27Å; D183-M186 VanDerWaalsContact O-N 3.11Å; A184-M186 VanDerWaalsContact C-N 3.31Å; M186-L188 PolarHBondContact O-N 3.43Å
187	N	98	Very high	97.9	Very high	57 Å²	57	29 Å²	29	31%	0.305	16%	0.162	S	C	.	.			trans	-80.9	58.7	-178.6	-174.8	19.6	0	0	0	112.6	K158 N159 F161 Q189	K158-N187 PolarHBondContact O-ND2 3.14Å; N159-N187 WeakPolarHBondContact O-CB 3.46Å; N159-N187 PolarHBondContact O-ND2 3.09Å; F161-N187 WeakPolarHBondContact CB-O 3.45Å; F161-N187 PolarHBondContact N-O 3.25Å; N187-Q189 PolarHBondContact O-N 3.3Å; N187-Q189 PolarHBondContact OD1-NE2 2.98Å
188	L	98.7	Very high	97.9	Very high	9 Å²	9	29 Å²	29	5%	0.047	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126.1	179.9	-178.3	67.3	0	0	0	111.2	F161 L163 V180 M181 M186 Y382	F161-L188 HydrophobicContact CD1-CD1 4.34Å; F161-L188 CarbonylContact O-C 3.48Å; F161-L188 WeakPolarHBondContact O-CA 3.37Å; L163-L188 HydrophobicContact CD1-CD1 3.97Å; L163-L188 HydrophobicContact CG-CD1 3.85Å; V180-L188 HydrophobicContact CB-CD2 4.31Å; V180-L188 HydrophobicContact CG1-CB 3.92Å; V180-L188 HydrophobicContact CG1-CD1 4.3Å; V180-L188 HydrophobicContact CG1-CD2 3.93Å; V180-L188 HydrophobicContact CG1-CG 4.27Å; M181-L188 HydrophobicContact CB-CD2 4.37Å; M186-L188 PolarHBondContact O-N 3.43Å; L188-Y382 HydrophobicContact CB-CD1 4.47Å; L188-Y382 HydrophobicContact CB-CE1 3.86Å; L188-Y382 HydrophobicContact CD2-CD1 4.07Å; L188-Y382 HydrophobicContact CD2-CE1 3.65Å; L188-Y382 HydrophobicContact CG-CD1 3.92Å; L188-Y382 HydrophobicContact CG-CE1 3.67Å; L188-Y382 VanDerWaalsContact O-CE1 3.26Å; L188-Y382 WeakPolarHBondContact O-CE1 3.42Å
189	Q	98.7	Very high	98	Very high	36 Å²	36	27 Å²	27	17%	0.168	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-24.4	-179.2	-67.7	-59.2	-55.4	0	0	113.4	E160 F161 F162 N187 Y382 R383	E160-Q189 HydrophobicContact CB-CB 4.5Å; E160-Q189 HydrophobicContact CB-CG 3.61Å; E160-Q189 HydrophobicContact CG-CG 3.65Å; F161-Q189 PolarHBondContact O-N 2.93Å; F162-Q189 HydrophobicContact CD1-CB 4.18Å; F162-Q189 HydrophobicContact CD2-CB 4.49Å; F162-Q189 HydrophobicContact CE1-CB 3.62Å; F162-Q189 HydrophobicContact CE2-CB 3.97Å; F162-Q189 HydrophobicContact CE2-CG 4.49Å; F162-Q189 HydrophobicContact CZ-CB 3.5Å; F162-Q189 VanDerWaalsContact CZ-CB 3.5Å; F162-Q189 HydrophobicContact CZ-CG 4.32Å; N187-Q189 PolarHBondContact O-N 3.3Å; N187-Q189 PolarHBondContact OD1-NE2 2.98Å; Q189-Y382 WeakPolarHBondContact O-CA 3.43Å; Q189-R383 PolarHBondContact O-N 2.85Å
190	G	98.7	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	172.8	-177.8	0	0	0	0	0	114.6	F162 L163 R383	F162-G190 WeakPolarHBondContact CA-O 3.2Å; L163-G190 PolarHBondContact N-O 3.39Å; L163-G190 VanDerWaalsContact N-O 3.13Å; G190-R383 CarbonylContact C-O 3.59Å; G190-R383 WeakPolarHBondContact CA-O 3.35Å
191	I	98.9	Very high	98	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	148	173.7	71.7	168.8	0	0	0	111	L163 I173 A177 Y373 L376 R383 V384 L385 F465	L163-I191 HydrophobicContact CB-CG2 3.95Å; L163-I191 HydrophobicContact CD1-CG2 4.29Å; L163-I191 CarbonylContact O-C 3.6Å; L163-I191 WeakPolarHBondContact O-CA 3.36Å; L163-I191 WeakPolarHBondContact O-CB 3.23Å; I173-I191 HydrophobicContact CG2-CB 3.81Å; I173-I191 HydrophobicContact CG2-CD1 4.16Å; I173-I191 HydrophobicContact CG2-CG2 4.09Å; A177-I191 HydrophobicContact CB-CG2 3.82Å; I191-Y373 HydrophobicContact CD1-CE1 4.15Å; I191-L376 HydrophobicContact CD1-CD1 3.66Å; I191-R383 PolarHBondContact N-O 3.41Å; I191-V384 HydrophobicContact CD1-CG1 4.2Å; I191-V384 HydrophobicContact CG1-CB 4.41Å; I191-V384 HydrophobicContact CG1-CG1 3.85Å; I191-V384 HydrophobicContact CG1-CG2 4.23Å; I191-V384 WeakPolarHBondContact O-CA 3.35Å; I191-L385 PolarHBondContact O-N 2.99Å; I191-F465 WeakPolarHBondContact O-CE2 3.36Å; I191-F465 WeakPolarHBondContact O-CZ 3.37Å
192	A	98.9	Very high	98.1	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131	169.9	0	0	0	0	0	111	L163 T164 G165 L385 Y387 F465	L163-A192 PolarHBondContact O-N 3.37Å; T164-A192 WeakPolarHBondContact CA-O 3.04Å; T164-A192 HydrophobicContact CG2-CB 3.9Å; G165-A192 PolarHBondContact N-O 3.25Å; A192-L385 CarbonylContact C-O 3.55Å; A192-L385 VanDerWaalsContact CA-O 3.23Å; A192-L385 WeakPolarHBondContact CA-O 3.39Å; A192-L385 HydrophobicContact CB-CB 3.99Å; A192-L385 HydrophobicContact CB-CD2 4.22Å; A192-L385 HydrophobicContact CB-CG 4.42Å; A192-Y387 HydrophobicContact CB-CE1 4.28Å; A192-F465 HydrophobicContact CB-CD1 4.3Å; A192-F465 HydrophobicContact CB-CE1 3.92Å; A192-F465 HydrophobicContact CB-CE2 4.23Å; A192-F465 HydrophobicContact CB-CZ 3.88Å
193	V	98.9	Very high	98.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.2	179.4	179.5	0	0	0	0	109.6	G165 I173 L385 Y387	G165-V193 WeakPolarHBondContact O-CA 3.46Å; I173-V193 HydrophobicContact CB-CG2 3.99Å; I173-V193 HydrophobicContact CG2-CG2 3.98Å; V193-L385 PolarHBondContact N-O 3.37Å; V193-Y387 WeakPolarHBondContact O-CD1 3.39Å; V193-Y387 PolarHBondContact O-N 2.76Å
194	G	98.9	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.9	173	0	0	0	0	0	111.8	G165 E166 S167 G196 Y387	G165-G194 PolarHBondContact O-N 3.41Å; E166-G194 CarbonylContact C-O 3.53Å; E166-G194 WeakPolarHBondContact CA-O 3.2Å; E166-G194 WeakPolarHBondContact CG-O 3.24Å; S167-G194 PolarHBondContact N-O 3Å; G194-G196 VanDerWaalsContact C-N 3.26Å; G194-G196 PolarHBondContact O-N 3.05Å; G194-G196 VanDerWaalsContact O-N 3.09Å; G194-Y387 CarbonylContact C-O 3.51Å; G194-Y387 VanDerWaalsContact CA-O 3.24Å; G194-Y387 WeakPolarHBondContact CA-O 3.44Å
195	N	98.9	Very high	98.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	41.1	56.1	173.1	-73.2	76.5	0	0	0	111.7	S167 Y387 N388 G389 D392 C395 H448 V450	S167-N195 WeakPolarHBondContact CA-O 3.28Å; S167-N195 PolarHBondContact N-O 3.09Å; N195-Y387 PolarHBondContact N-O 3.17Å; N195-N388 WeakPolarHBondContact CA-ND2 3.3Å; N195-N388 WeakPolarHBondContact OD1-CA 3.27Å; N195-G389 PolarHBondContact ND2-N 2.77Å; N195-G389 PolarHBondContact ND2-O 2.74Å; N195-G389 PolarHBondContact OD1-N 2.92Å; N195-D392 WeakPolarHBondContact ND2-CB 2.98Å; N195-D392 PolarHBondContact ND2-OD2 3.16Å; N195-C395 HydrophobicContact CB-CB 4.22Å; N195-C395 PolarHBondContact ND2-O 2.87Å; N195-C395 WeakPolarHBondContact O-CB 3.41Å; N195-C395 PolarHBondContact O-SG 3.26Å; N195-H448 PolarHBondContact OD1-O 3.12Å; N195-V450 WeakPolarHBondContact OD1-CG2 3.32Å
196	G	98.6	Very high	98.6	Very high	2 Å²	2	14.1 Å²	14.1	2%	0.021	7%	0.072	C	C	.	.			trans	-89.9	143.5	-162.2	0	0	0	0	0	113.1	S167 G194 S198 D400	S167-G196 WeakPolarHBondContact O-CA 3.4Å; G194-G196 VanDerWaalsContact C-N 3.26Å; G194-G196 PolarHBondContact O-N 3.05Å; G194-G196 VanDerWaalsContact O-N 3.09Å; G196-S198 VanDerWaalsContact C-N 3.3Å; G196-S198 PolarHBondContact O-N 2.87Å; G196-D400 PolarHBondContact N-OD2 2.83Å
197	M	98.8	Very high	98.7	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.01	7%	0.069	C	C	.	.			trans	-76.1	84.7	163.3	-174.5	57.4	61.9	0	0	109.7	S167 G170 I171 Y200 N203 N292	S167-M197 PolarHBondContact O-N 3.45Å; G170-M197 CarbonylContact C-O 3.5Å; I171-M197 WeakPolarHBondContact CD1-O 3.5Å; I171-M197 HydrophobicContact CG1-CB 4.47Å; I171-M197 HydrophobicContact CG1-CG 4.48Å; I171-M197 WeakPolarHBondContact CG1-O 3.47Å; M197-Y200 HydrophobicContact CE-CD1 4.33Å; M197-Y200 HydrophobicContact CE-CE1 4.28Å; M197-Y200 HydrophobicContact CG-CD1 4.37Å; M197-Y200 HydrophobicContact CG-CD2 4.15Å; M197-Y200 HydrophobicContact CG-CE1 4.02Å; M197-Y200 HydrophobicContact CG-CE2 3.79Å; M197-Y200 HydrophobicContact CG-CG 4.45Å; M197-Y200 HydrophobicContact SD-CD1 3.79Å; M197-Y200 HydrophobicContact SD-CD2 4.13Å; M197-Y200 HydrophobicContact SD-CE1 3.97Å; M197-Y200 HydrophobicContact SD-CE2 4.31Å; M197-Y200 HydrophobicContact SD-CG 3.89Å; M197-N203 HydrophobicContact CE-CB 4.17Å; M197-N203 WeakPolarHBondContact CE-ND2 3.47Å; M197-N203 HydrophobicContact SD-CB 3.98Å; M197-N292 HydrophobicContact CE-CB 4.29Å
198	S	98.7	Very high	98.7	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.007	6%	0.055	C	C	.	.	S	Bend	trans	-89.8	-29	-179.4	-54.7	0	0	0	0	113.6	G196 D368 V369 D400	G196-S198 VanDerWaalsContact C-N 3.3Å; G196-S198 PolarHBondContact O-N 2.87Å; S198-D368 WeakPolarHBondContact O-CA 3.01Å; S198-V369 WeakPolarHBondContact O-CG2 3.42Å; S198-V369 PolarHBondContact O-N 2.98Å; S198-D400 WeakPolarHBondContact CB-OD1 3.44Å; S198-D400 PolarHBondContact OG-OD1 2.85Å
199	S	98.8	Very high	98.7	Very high	10 Å²	10	12.8 Å²	12.8	7%	0.07	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-158	122.7	175.3	170.3	0	0	0	0	109.4	E201 M202 N203 M367	S199-E201 VanDerWaalsContact C-N 3.31Å; S199-E201 PolarHBondContact O-N 3.1Å; S199-M202 PolarHBondContact O-N 2.78Å; S199-M202 PolarHBondContact OG-N 2.96Å; S199-N203 VanDerWaalsContact O-CB 3.3Å; S199-N203 WeakPolarHBondContact O-CB 3.32Å; S199-N203 PolarHBondContact O-N 2.78Å; S199-M367 WeakPolarHBondContact CA-O 3.17Å
200	Y	98.7	Very high	98.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-64.7	-38.4	177.9	-72.9	-94.5	0	0	0	111.7	Y168 M197 N203 D204 N292 L295 R364 M367	Y168-Y200 WeakPolarHBondContact CE2-OH 3.36Å; M197-Y200 HydrophobicContact CE-CD1 4.33Å; M197-Y200 HydrophobicContact CE-CE1 4.28Å; M197-Y200 HydrophobicContact CG-CD1 4.37Å; M197-Y200 HydrophobicContact CG-CD2 4.15Å; M197-Y200 HydrophobicContact CG-CE1 4.02Å; M197-Y200 HydrophobicContact CG-CE2 3.79Å; M197-Y200 HydrophobicContact CG-CG 4.45Å; M197-Y200 HydrophobicContact SD-CD1 3.79Å; M197-Y200 HydrophobicContact SD-CD2 4.13Å; M197-Y200 HydrophobicContact SD-CE1 3.97Å; M197-Y200 HydrophobicContact SD-CE2 4.31Å; M197-Y200 HydrophobicContact SD-CG 3.89Å; Y200-N203 PolarHBondContact O-N 3.1Å; Y200-D204 WeakPolarHBondContact O-CB 3.37Å; Y200-D204 PolarHBondContact O-N 3.46Å; Y200-N292 VanDerWaalsContact CD1-O 3.24Å; Y200-N292 WeakPolarHBondContact CD1-O 3.49Å; Y200-N292 HydrophobicContact CE1-CB 4.41Å; Y200-N292 VanDerWaalsContact CE1-O 3.24Å; Y200-N292 WeakPolarHBondContact CE1-O 3.47Å; Y200-L295 HydrophobicContact CD1-CD1 3.71Å; Y200-L295 HydrophobicContact CD1-CG 4.44Å; Y200-L295 HydrophobicContact CE1-CD1 3.42Å; Y200-L295 VanDerWaalsContact CE1-CD1 3.42Å; Y200-L295 HydrophobicContact CE1-CG 4.41Å; Y200-R364 WeakPolarHBondContact OH-CD 3.5Å; Y200-R364 PolarHBondContact OH-NE 2.99Å; Y200-M367 HydrophobicContact CD1-CE 4.13Å; Y200-M367 HydrophobicContact CD2-CB 4.42Å; Y200-M367 HydrophobicContact CD2-CE 3.53Å; Y200-M367 WeakPolarHBondContact CD2-O 3.4Å; Y200-M367 HydrophobicContact CD2-SD 4.17Å; Y200-M367 HydrophobicContact CE2-CE 4.1Å; Y200-M367 HydrophobicContact CE2-SD 4.34Å; Y200-M367 HydrophobicContact CG-CE 3.52Å; Y200-M367 PolarHBondContact N-O 3.22Å
201	E	98.6	Very high	98.7	Very high	99 Å²	99	11.1 Å²	11.1	46%	0.463	5%	0.054	S	C	.	.	H	α-helix	trans	-60.1	-50.1	177	179.9	-176.6	170.9	0	0	111.3	S199 N203 N205 Y238	S199-E201 VanDerWaalsContact C-N 3.31Å; S199-E201 PolarHBondContact O-N 3.1Å; E201-N203 VanDerWaalsContact C-N 3.35Å; E201-N205 WeakPolarHBondContact CG-ND2 3.28Å; E201-N205 WeakPolarHBondContact O-CB 3.09Å; E201-N205 PolarHBondContact O-N 2.95Å; E201-N205 PolarHBondContact O-ND2 3.48Å; E201-Y238 HydrophobicContact CB-CD1 3.69Å; E201-Y238 HydrophobicContact CB-CD2 4.17Å; E201-Y238 HydrophobicContact CB-CE1 3.86Å; E201-Y238 HydrophobicContact CB-CE2 4.34Å; E201-Y238 HydrophobicContact CB-CG 3.82Å; E201-Y238 HydrophobicContact CG-CD1 3.73Å; E201-Y238 HydrophobicContact CG-CE1 4.32Å; E201-Y238 HydrophobicContact CG-CG 3.94Å
202	M	98.7	Very high	98.7	Very high	43 Å²	43	13.7 Å²	13.7	21%	0.212	6%	0.064	C	C	.	.	H	α-helix	trans	-69.5	-35.3	-179.5	-66.4	176	176.8	0	0	111.7	S199 S206 W402 F403	S199-M202 PolarHBondContact O-N 2.78Å; S199-M202 PolarHBondContact OG-N 2.96Å; M202-S206 WeakPolarHBondContact O-CB 3.47Å; M202-S206 PolarHBondContact O-N 2.82Å; M202-S206 PolarHBondContact O-OG 2.65Å; M202-W402 HydrophobicContact SD-CB 4.26Å; M202-F403 WeakPolarHBondContact SD-CA 3.27Å; M202-F403 HydrophobicContact SD-CB 3.81Å; M202-F403 HydrophobicContact SD-CD2 4.34Å; M202-F403 PolarHBondContact SD-N 3.43Å; M202-F403 VanDerWaalsContact SD-N 3.45Å
203	N	98.8	Very high	98.7	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.037	9%	0.093	C	C	.	.	H	α-helix	trans	-65.7	-51.7	176.3	-169.8	66	0	0	0	112	M197 S199 Y200 E201 N205 S206 L207 A394 C395	M197-N203 HydrophobicContact CE-CB 4.17Å; M197-N203 WeakPolarHBondContact CE-ND2 3.47Å; M197-N203 HydrophobicContact SD-CB 3.98Å; S199-N203 VanDerWaalsContact O-CB 3.3Å; S199-N203 WeakPolarHBondContact O-CB 3.32Å; S199-N203 PolarHBondContact O-N 2.78Å; Y200-N203 PolarHBondContact O-N 3.1Å; E201-N203 VanDerWaalsContact C-N 3.35Å; N203-N205 PolarHBondContact O-N 3.32Å; N203-S206 PolarHBondContact O-N 2.93Å; N203-S206 PolarHBondContact O-OG 2.81Å; N203-L207 VanDerWaalsContact O-CB 3.26Å; N203-L207 WeakPolarHBondContact O-CB 3.47Å; N203-L207 PolarHBondContact O-N 3.19Å; N203-A394 PolarHBondContact ND2-O 3.4Å; N203-A394 VanDerWaalsContact ND2-O 3.13Å; N203-A394 PolarHBondContact OD1-O 3.45Å; N203-C395 WeakPolarHBondContact OD1-CA 3.48Å
204	D	98.6	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-45.1	179.3	-74.8	-11.3	0	0	0	110.8	Y200 L207 V208 Y238 F294	Y200-D204 WeakPolarHBondContact O-CB 3.37Å; Y200-D204 PolarHBondContact O-N 3.46Å; D204-L207 PolarHBondContact O-N 2.89Å; D204-V208 PolarHBondContact O-N 3.09Å; D204-Y238 HydrophobicContact CB-CD2 4.3Å; D204-Y238 WeakPolarHBondContact OD2-CD2 3.13Å; D204-F294 HydrophobicContact CB-CD1 4.21Å; D204-F294 HydrophobicContact CB-CE1 4.18Å; D204-F294 VanDerWaalsContact CG-N 3.32Å; D204-F294 PolarHBondContact OD1-N 2.92Å; D204-F294 VanDerWaalsContact OD2-CA 3.23Å; D204-F294 WeakPolarHBondContact OD2-CA 3.39Å; D204-F294 PolarHBondContact OD2-N 3.27Å
205	N	98.8	Very high	98.7	Very high	14 Å²	14	27.2 Å²	27.2	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-51.1	178.5	-76.2	-32.2	0	0	0	111.7	E201 N203 L207 V208 Y209 F237 Y238 W402	E201-N205 WeakPolarHBondContact CG-ND2 3.28Å; E201-N205 WeakPolarHBondContact O-CB 3.09Å; E201-N205 PolarHBondContact O-N 2.95Å; E201-N205 PolarHBondContact O-ND2 3.48Å; N203-N205 PolarHBondContact O-N 3.32Å; N205-L207 VanDerWaalsContact C-N 3.33Å; N205-L207 PolarHBondContact O-N 3.04Å; N205-V208 PolarHBondContact O-N 2.89Å; N205-Y209 VanDerWaalsContact O-CD2 3.26Å; N205-Y209 WeakPolarHBondContact O-CD2 3.24Å; N205-F237 WeakPolarHBondContact OD1-CA 3.45Å; N205-F237 WeakPolarHBondContact OD1-CB 3.12Å; N205-F237 PolarHBondContact OD1-N 3.46Å; N205-Y238 PolarHBondContact OD1-N 3.03Å; N205-W402 HydrophobicContact CB-CZ3 4.09Å
206	S	98.8	Very high	98.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.6	-32.6	-177.8	57.6	0	0	0	0	113	M202 N203 V208 Y209 F210 N396 G399	M202-S206 WeakPolarHBondContact O-CB 3.47Å; M202-S206 PolarHBondContact O-N 2.82Å; M202-S206 PolarHBondContact O-OG 2.65Å; N203-S206 PolarHBondContact O-N 2.93Å; N203-S206 PolarHBondContact O-OG 2.81Å; S206-V208 VanDerWaalsContact C-N 3.32Å; S206-V208 PolarHBondContact O-N 2.86Å; S206-Y209 PolarHBondContact O-N 2.92Å; S206-F210 WeakPolarHBondContact O-CB 3.24Å; S206-F210 PolarHBondContact O-N 2.81Å; S206-N396 WeakPolarHBondContact CB-OD1 3.27Å; S206-N396 PolarHBondContact OG-ND2 2.88Å; S206-N396 PolarHBondContact OG-OD1 3.4Å; S206-G399 WeakPolarHBondContact OG-CA 3.25Å; S206-G399 PolarHBondContact OG-N 2.75Å
207	L	98.8	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-39.9	177.9	175.8	56.8	0	0	0	112.2	N203 D204 N205 F210 A211 V256 F294 M393 N396	N203-L207 VanDerWaalsContact O-CB 3.26Å; N203-L207 WeakPolarHBondContact O-CB 3.47Å; N203-L207 PolarHBondContact O-N 3.19Å; D204-L207 PolarHBondContact O-N 2.89Å; N205-L207 VanDerWaalsContact C-N 3.33Å; N205-L207 PolarHBondContact O-N 3.04Å; L207-F210 WeakPolarHBondContact O-CB 3.23Å; L207-F210 PolarHBondContact O-N 2.78Å; L207-A211 WeakPolarHBondContact O-CB 3.45Å; L207-A211 PolarHBondContact O-N 2.93Å; L207-V256 HydrophobicContact CD1-CG1 4.27Å; L207-V256 HydrophobicContact CD1-CG2 4.45Å; L207-V256 HydrophobicContact CD2-CG1 4.39Å; L207-F294 HydrophobicContact CD2-CE2 3.97Å; L207-F294 HydrophobicContact CD2-CZ 4.08Å; L207-M393 HydrophobicContact CD1-CB 3.89Å; L207-M393 HydrophobicContact CD1-CG 4.46Å; L207-M393 WeakPolarHBondContact CD1-O 3.32Å; L207-N396 PolarHBondContact N-ND2 3.19Å
208	V	98.7	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.7	-41.4	179	-176.4	0	0	0	0	111.2	D204 N205 S206 Y212 L217 W222 L225 F237 L249 V252 F294	D204-V208 PolarHBondContact O-N 3.09Å; N205-V208 PolarHBondContact O-N 2.89Å; S206-V208 VanDerWaalsContact C-N 3.32Å; S206-V208 PolarHBondContact O-N 2.86Å; V208-Y212 PolarHBondContact O-N 3.33Å; V208-L217 HydrophobicContact CG1-CD1 4.39Å; V208-W222 HydrophobicContact CG1-CZ3 4.27Å; V208-L225 HydrophobicContact CG1-CD1 3.82Å; V208-L225 HydrophobicContact CG1-CD2 4.48Å; V208-F237 HydrophobicContact CB-CB 4.48Å; V208-F237 HydrophobicContact CB-CD1 4.49Å; V208-F237 HydrophobicContact CB-CD2 3.53Å; V208-F237 HydrophobicContact CB-CE2 3.71Å; V208-F237 HydrophobicContact CB-CG 3.94Å; V208-F237 HydrophobicContact CB-CZ 4.27Å; V208-F237 HydrophobicContact CG1-CD1 4.2Å; V208-F237 HydrophobicContact CG1-CD2 3.93Å; V208-F237 HydrophobicContact CG1-CE1 4Å; V208-F237 HydrophobicContact CG1-CE2 3.72Å; V208-F237 HydrophobicContact CG1-CG 4.15Å; V208-F237 HydrophobicContact CG1-CZ 3.76Å; V208-F237 HydrophobicContact CG2-CB 3.76Å; V208-F237 HydrophobicContact CG2-CD1 4.33Å; V208-F237 HydrophobicContact CG2-CD2 3.78Å; V208-F237 HydrophobicContact CG2-CE2 4.42Å; V208-F237 HydrophobicContact CG2-CG 3.71Å; V208-L249 HydrophobicContact CG2-CD2 3.71Å; V208-V252 HydrophobicContact CG1-CG2 4.42Å; V208-V252 HydrophobicContact CG2-CG1 4.26Å; V208-F294 HydrophobicContact CG2-CE1 4.05Å; V208-F294 HydrophobicContact CG2-CZ 4.1Å
209	Y	98.7	Very high	98.6	Very high	49 Å²	49	36.3 Å²	36.3	19%	0.192	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-45.4	171.7	-74.3	-81.1	0	0	0	111.4	N205 S206 A211 Y212 Y213 W222 C235 F237 W402	N205-Y209 VanDerWaalsContact O-CD2 3.26Å; N205-Y209 WeakPolarHBondContact O-CD2 3.24Å; S206-Y209 PolarHBondContact O-N 2.92Å; Y209-A211 VanDerWaalsContact C-N 3.35Å; Y209-A211 PolarHBondContact O-N 2.85Å; Y209-Y212 PolarHBondContact O-N 2.89Å; Y209-Y213 HydrophobicContact CD1-CE2 4.05Å; Y209-Y213 VanDerWaalsContact O-CD2 3.24Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.33Å; Y209-Y213 PolarHBondContact O-N 3.1Å; Y209-W222 AromaticContact CD1-CH2 3.5Å; Y209-W222 HydrophobicContact CD1-CH2 3.5Å; Y209-W222 VanDerWaalsContact CD1-CH2 3.5Å; Y209-W222 HydrophobicContact CD1-CZ2 4.2Å; Y209-W222 HydrophobicContact CD1-CZ3 4.44Å; Y209-W222 AromaticContact CE1-CH2 3.59Å; Y209-W222 HydrophobicContact CE1-CH2 3.59Å; Y209-W222 HydrophobicContact CE1-CZ2 4.13Å; Y209-W222 HydrophobicContact CG-CH2 4.29Å; Y209-C235 HydrophobicContact CE2-CB 4.33Å; Y209-C235 PolarHBondContact OH-SG 3.36Å; Y209-F237 HydrophobicContact CD2-CE2 4.03Å; Y209-F237 HydrophobicContact CE2-CD2 4.37Å; Y209-F237 AromaticContact CE2-CE2 3.71Å; Y209-F237 HydrophobicContact CE2-CE2 3.71Å; Y209-W402 AromaticContact CD2-CH2 3.8Å; Y209-W402 HydrophobicContact CD2-CH2 3.8Å; Y209-W402 HydrophobicContact CE2-CH2 4.12Å
210	F	98.8	Very high	98.5	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-55.1	-52.2	177.5	-174.2	-75.1	0	0	0	110	S206 L207 Y212 Y213 H214 L266 M393 N396 F397	S206-F210 WeakPolarHBondContact O-CB 3.24Å; S206-F210 PolarHBondContact O-N 2.81Å; L207-F210 WeakPolarHBondContact O-CB 3.23Å; L207-F210 PolarHBondContact O-N 2.78Å; F210-Y212 VanDerWaalsContact C-N 3.34Å; F210-Y212 PolarHBondContact O-N 3.34Å; F210-Y213 PolarHBondContact O-N 3.34Å; F210-H214 HydrophobicContact CD1-CB 4.37Å; F210-H214 AromaticContact CD1-CE1 3.98Å; F210-H214 AromaticContact CD1-CG 3.92Å; F210-H214 AromaticContact CD1-ND1 3.52Å; F210-H214 AromaticContact CD2-CE1 3.48Å; F210-H214 VanDerWaalsContact CD2-CE1 3.48Å; F210-H214 WeakPolarHBondContact CD2-CE1 3.27Å; F210-H214 AromaticContact CD2-ND1 3.81Å; F210-H214 HydrophobicContact CE1-CB 4.17Å; F210-H214 AromaticContact CE1-CD2 3.9Å; F210-H214 AromaticContact CE1-CE1 3.85Å; F210-H214 AromaticContact CE1-CG 3.62Å; F210-H214 AromaticContact CE1-ND1 3.59Å; F210-H214 AromaticContact CE2-CE1 3.35Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.42Å; F210-H214 AromaticContact CE2-ND1 3.9Å; F210-H214 AromaticContact CE2-NE2 3.66Å; F210-H214 AromaticContact CG-CE1 3.79Å; F210-H214 AromaticContact CG-ND1 3.61Å; F210-H214 AromaticContact CZ-CD2 3.77Å; F210-H214 AromaticContact CZ-CE1 3.54Å; F210-H214 AromaticContact CZ-CG 3.93Å; F210-H214 AromaticContact CZ-ND1 3.79Å; F210-H214 AromaticContact CZ-NE2 3.55Å; F210-H214 WeakPolarHBondContact O-CB 3.48Å; F210-H214 PolarHBondContact O-N 2.99Å; F210-H214 PolarHBondContact O-ND1 3.27Å; F210-L266 HydrophobicContact CE1-CD2 4.06Å; F210-M393 HydrophobicContact CD1-CG 3.84Å; F210-M393 HydrophobicContact CD1-SD 4.3Å; F210-M393 HydrophobicContact CE1-CG 3.45Å; F210-M393 VanDerWaalsContact CE1-CG 3.45Å; F210-M393 HydrophobicContact CE1-SD 4.04Å; F210-M393 HydrophobicContact CZ-CG 4.21Å; F210-N396 HydrophobicContact CD2-CB 4.01Å; F210-N396 HydrophobicContact CE2-CB 4.41Å; F210-N396 HydrophobicContact CG-CB 4.48Å; F210-F397 HydrophobicContact CD2-CE1 4.38Å; F210-F397 HydrophobicContact CE2-CD1 4.3Å; F210-F397 HydrophobicContact CE2-CE1 4.15Å
211	A	98.7	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.4	-43.1	-178.6	0	0	0	0	0	112.3	L207 Y209 G215 L216 L217 V256	L207-A211 WeakPolarHBondContact O-CB 3.45Å; L207-A211 PolarHBondContact O-N 2.93Å; Y209-A211 VanDerWaalsContact C-N 3.35Å; Y209-A211 PolarHBondContact O-N 2.85Å; A211-G215 PolarHBondContact O-N 3.31Å; A211-L216 HydrophobicContact CB-CB 4.28Å; A211-L216 HydrophobicContact CB-CD1 4.14Å; A211-L216 WeakPolarHBondContact O-CA 3.28Å; A211-L216 VanDerWaalsContact O-CB 3.25Å; A211-L216 WeakPolarHBondContact O-CB 3.3Å; A211-L216 WeakPolarHBondContact O-CG 3.45Å; A211-L216 PolarHBondContact O-N 3.1Å; A211-L217 HydrophobicContact CB-CD1 3.87Å; A211-L217 HydrophobicContact CB-CD2 4.23Å; A211-L217 HydrophobicContact CB-CG 3.84Å; A211-V256 HydrophobicContact CB-CG2 4.15Å
212	Y	98.7	Very high	98.5	Very high	55 Å²	55	36.9 Å²	36.9	22%	0.216	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-51.9	176.4	178.9	-115.6	0	0	0	112.4	V208 Y209 F210 H214 G215 L217 W222	V208-Y212 PolarHBondContact O-N 3.33Å; Y209-Y212 PolarHBondContact O-N 2.89Å; F210-Y212 VanDerWaalsContact C-N 3.34Å; F210-Y212 PolarHBondContact O-N 3.34Å; Y212-H214 PolarHBondContact O-N 2.82Å; Y212-G215 PolarHBondContact O-N 2.83Å; Y212-L217 HydrophobicContact CD2-CB 4.17Å; Y212-L217 WeakPolarHBondContact CD2-O 3.31Å; Y212-W222 AromaticContact CD1-CD2 3.57Å; Y212-W222 HydrophobicContact CD1-CD2 3.57Å; Y212-W222 AromaticContact CD1-CE2 3.57Å; Y212-W222 HydrophobicContact CD1-CE3 4.04Å; Y212-W222 AromaticContact CD1-CG 3.85Å; Y212-W222 HydrophobicContact CD1-CG 3.85Å; Y212-W222 HydrophobicContact CD1-CH2 4.46Å; Y212-W222 HydrophobicContact CD1-CZ2 4.03Å; Y212-W222 HydrophobicContact CD1-CZ3 4.47Å; Y212-W222 AromaticContact CD1-NE1 3.83Å; Y212-W222 HydrophobicContact CD2-CB 3.51Å; Y212-W222 AromaticContact CD2-CD2 3.88Å; Y212-W222 HydrophobicContact CD2-CD2 3.88Å; Y212-W222 HydrophobicContact CD2-CE3 4.22Å; Y212-W222 AromaticContact CD2-CG 3.56Å; Y212-W222 HydrophobicContact CD2-CG 3.56Å; Y212-W222 AromaticContact CE1-CD1 3.49Å; Y212-W222 VanDerWaalsContact CE1-CD1 3.49Å; Y212-W222 AromaticContact CE1-CD2 3.89Å; Y212-W222 HydrophobicContact CE1-CD2 3.89Å; Y212-W222 AromaticContact CE1-CE2 3.71Å; Y212-W222 AromaticContact CE1-CG 3.75Å; Y212-W222 HydrophobicContact CE1-CG 3.75Å; Y212-W222 HydrophobicContact CE1-CZ2 4.43Å; Y212-W222 AromaticContact CE1-NE1 3.45Å; Y212-W222 HydrophobicContact CE2-CB 3.41Å; Y212-W222 VanDerWaalsContact CE2-CB 3.41Å; Y212-W222 AromaticContact CE2-CD1 3.74Å; Y212-W222 HydrophobicContact CE2-CD2 4.18Å; Y212-W222 AromaticContact CE2-CG 3.46Å; Y212-W222 HydrophobicContact CE2-CG 3.46Å; Y212-W222 VanDerWaalsContact CE2-CG 3.46Å; Y212-W222 HydrophobicContact CG-CB 4.15Å; Y212-W222 AromaticContact CG-CD2 3.55Å; Y212-W222 HydrophobicContact CG-CD2 3.55Å; Y212-W222 AromaticContact CG-CE3 3.71Å; Y212-W222 HydrophobicContact CG-CE3 3.71Å; Y212-W222 AromaticContact CG-CG 3.75Å; Y212-W222 HydrophobicContact CG-CG 3.75Å; Y212-W222 HydrophobicContact CG-CZ3 4.35Å; Y212-W222 AromaticContact CZ-CD1 3.33Å; Y212-W222 AromaticContact CZ-CG 3.55Å; Y212-W222 AromaticContact CZ-NE1 3.81Å
213	Y	98.7	Very high	98.5	Very high	163 Å²	163	38.2 Å²	38.2	64%	0.639	22%	0.224	S	C	*	.	H	α-helix	trans	-72.9	-13.4	-175.6	-72.8	-64.9	0	0	0	114.2	Y209 F210	Y209-Y213 HydrophobicContact CD1-CE2 4.05Å; Y209-Y213 VanDerWaalsContact O-CD2 3.24Å; Y209-Y213 WeakPolarHBondContact O-CD2 3.33Å; Y209-Y213 PolarHBondContact O-N 3.1Å; F210-Y213 PolarHBondContact O-N 3.34Å
214	H	98.6	Very high	98.5	Very high	60 Å²	60	40.5 Å²	40.5	28%	0.278	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	10.4	169.8	-65.7	76.2	0	0	0	113	F210 Y212 L266 Y267	F210-H214 HydrophobicContact CD1-CB 4.37Å; F210-H214 AromaticContact CD1-CE1 3.98Å; F210-H214 AromaticContact CD1-CG 3.92Å; F210-H214 AromaticContact CD1-ND1 3.52Å; F210-H214 AromaticContact CD2-CE1 3.48Å; F210-H214 VanDerWaalsContact CD2-CE1 3.48Å; F210-H214 WeakPolarHBondContact CD2-CE1 3.27Å; F210-H214 AromaticContact CD2-ND1 3.81Å; F210-H214 HydrophobicContact CE1-CB 4.17Å; F210-H214 AromaticContact CE1-CD2 3.9Å; F210-H214 AromaticContact CE1-CE1 3.85Å; F210-H214 AromaticContact CE1-CG 3.62Å; F210-H214 AromaticContact CE1-ND1 3.59Å; F210-H214 AromaticContact CE2-CE1 3.35Å; F210-H214 WeakPolarHBondContact CE2-CE1 3.42Å; F210-H214 AromaticContact CE2-ND1 3.9Å; F210-H214 AromaticContact CE2-NE2 3.66Å; F210-H214 AromaticContact CG-CE1 3.79Å; F210-H214 AromaticContact CG-ND1 3.61Å; F210-H214 AromaticContact CZ-CD2 3.77Å; F210-H214 AromaticContact CZ-CE1 3.54Å; F210-H214 AromaticContact CZ-CG 3.93Å; F210-H214 AromaticContact CZ-ND1 3.79Å; F210-H214 AromaticContact CZ-NE2 3.55Å; F210-H214 WeakPolarHBondContact O-CB 3.48Å; F210-H214 PolarHBondContact O-N 2.99Å; F210-H214 PolarHBondContact O-ND1 3.27Å; Y212-H214 PolarHBondContact O-N 2.82Å; H214-L266 HydrophobicContact CB-CD2 3.65Å; H214-Y267 PolarHBondContact CD2-OH 2.82Å
215	G	98.3	Very high	98.5	Very high	65 Å²	65	40.5 Å²	40.5	67%	0.67	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.8	18.2	170	0	0	0	0	0	115	A211 Y212	A211-G215 PolarHBondContact O-N 3.31Å; Y212-G215 PolarHBondContact O-N 2.83Å
216	L	98.3	Very high	98.4	Very high	38 Å²	38	43 Å²	43	20%	0.199	25%	0.248	C	C	.	.			trans	-84.7	-30.3	179.6	-47.4	-174.9	0	0	0	112	A211 V255 L261 L266 M393	A211-L216 HydrophobicContact CB-CB 4.28Å; A211-L216 HydrophobicContact CB-CD1 4.14Å; A211-L216 WeakPolarHBondContact O-CA 3.28Å; A211-L216 VanDerWaalsContact O-CB 3.25Å; A211-L216 WeakPolarHBondContact O-CB 3.3Å; A211-L216 WeakPolarHBondContact O-CG 3.45Å; A211-L216 PolarHBondContact O-N 3.1Å; L216-V255 HydrophobicContact CB-CG1 3.94Å; L216-L261 HydrophobicContact CD1-CD1 3.97Å; L216-L261 HydrophobicContact CD2-CD1 3.91Å; L216-L261 HydrophobicContact CG-CD1 4.46Å; L216-L266 HydrophobicContact CD1-CD1 4.05Å; L216-L266 HydrophobicContact CD2-CD1 3.8Å; L216-L266 HydrophobicContact CG-CD1 4.49Å; L216-M393 HydrophobicContact CD1-CE 4.45Å; L216-M393 HydrophobicContact CD1-SD 3.53Å; L216-M393 VanDerWaalsContact CD1-SD 3.53Å
217	L	98.5	Very high	98.4	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.052	27%	0.274	C	S	.	.	S	Bend	trans	-107.1	132.8	-177.8	-46.8	-178.9	0	0	0	110.7	V208 A211 Y212 L221 L225 V252 V255	V208-L217 HydrophobicContact CG1-CD1 4.39Å; A211-L217 HydrophobicContact CB-CD1 3.87Å; A211-L217 HydrophobicContact CB-CD2 4.23Å; A211-L217 HydrophobicContact CB-CG 3.84Å; Y212-L217 HydrophobicContact CD2-CB 4.17Å; Y212-L217 WeakPolarHBondContact CD2-O 3.31Å; L217-L221 HydrophobicContact CB-CD2 4.37Å; L217-L221 HydrophobicContact CD2-CD2 3.96Å; L217-L225 HydrophobicContact CD1-CD1 4.09Å; L217-V252 HydrophobicContact CD1-CG1 4.27Å; L217-V252 HydrophobicContact CD1-CG2 3.79Å; L217-V252 HydrophobicContact CD2-CB 4.5Å; L217-V252 HydrophobicContact CD2-CG1 4.35Å; L217-V252 HydrophobicContact CD2-CG2 4.11Å; L217-V255 HydrophobicContact CD2-CB 4.26Å; L217-V255 HydrophobicContact CD2-CG1 4.16Å; L217-V255 HydrophobicContact CD2-CG2 4.43Å
218	G	97.8	Very high	98.4	Very high	48 Å²	48	50.4 Å²	50.4	50%	0.495	29%	0.291	S	S	.	.			trans	-71.6	159.5	174.6	0	0	0	0	0	112.9	S220 L221 W222	G218-S220 PolarHBondContact O-N 3.21Å; G218-L221 PolarHBondContact O-N 3.05Å; G218-W222 PolarHBondContact O-N 2.91Å
219	T	97.8	Very high	98.4	Very high	101 Å²	101	50.6 Å²	50.6	62%	0.62	29%	0.292	S	S	*	.	H	α-helix	trans	-61.3	-28.6	-179.8	52.4	0	0	0	0	113.7	S223	T219-S223 WeakPolarHBondContact O-CB 3.48Å; T219-S223 PolarHBondContact O-N 3.45Å; T219-S223 PolarHBondContact O-OG 2.97Å
220	S	98.3	Very high	98.3	Very high	83 Å²	83	49.4 Å²	49.4	58%	0.58	29%	0.291	S	S	*	.	H	α-helix	trans	-65.1	-58.1	175.7	-166	0	0	0	0	110.7	G218 W222 S223 D224	G218-S220 PolarHBondContact O-N 3.21Å; S220-W222 VanDerWaalsContact C-N 3.26Å; S220-W222 PolarHBondContact O-N 3.13Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-N 2.82Å; S220-D224 PolarHBondContact O-N 3.36Å
221	L	98.4	Very high	98.2	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-57.4	-41.2	178.2	178.7	60.2	0	0	0	111.4	L217 G218 S223 D224 L225 N248 E251 V252	L217-L221 HydrophobicContact CB-CD2 4.37Å; L217-L221 HydrophobicContact CD2-CD2 3.96Å; G218-L221 PolarHBondContact O-N 3.05Å; L221-S223 PolarHBondContact O-N 3.45Å; L221-D224 PolarHBondContact O-N 3.46Å; L221-L225 HydrophobicContact CD1-CD1 4.46Å; L221-L225 HydrophobicContact CD1-CG 4.43Å; L221-L225 HydrophobicContact CG-CD1 4.1Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 VanDerWaalsContact O-CG 3.29Å; L221-L225 WeakPolarHBondContact O-CG 3.18Å; L221-L225 PolarHBondContact O-N 3.44Å; L221-N248 HydrophobicContact CD1-CB 3.84Å; L221-E251 HydrophobicContact CD1-CB 4.39Å; L221-E251 HydrophobicContact CD2-CB 4.39Å; L221-E251 HydrophobicContact CD2-CG 3.99Å; L221-V252 HydrophobicContact CD2-CG2 4.22Å
222	W	98.5	Very high	97.8	Very high	26 Å²	26	59.9 Å²	59.9	10%	0.098	37%	0.365	C	S	.	.	H	α-helix	trans	-61.4	-42.2	174.8	-179.5	-113.6	0	0	0	113.3	V208 Y209 Y212 G218 S220 D224 L225 Q226 F237	V208-W222 HydrophobicContact CG1-CZ3 4.27Å; Y209-W222 AromaticContact CD1-CH2 3.5Å; Y209-W222 HydrophobicContact CD1-CH2 3.5Å; Y209-W222 VanDerWaalsContact CD1-CH2 3.5Å; Y209-W222 HydrophobicContact CD1-CZ2 4.2Å; Y209-W222 HydrophobicContact CD1-CZ3 4.44Å; Y209-W222 AromaticContact CE1-CH2 3.59Å; Y209-W222 HydrophobicContact CE1-CH2 3.59Å; Y209-W222 HydrophobicContact CE1-CZ2 4.13Å; Y209-W222 HydrophobicContact CG-CH2 4.29Å; Y212-W222 AromaticContact CD1-CD2 3.57Å; Y212-W222 HydrophobicContact CD1-CD2 3.57Å; Y212-W222 AromaticContact CD1-CE2 3.57Å; Y212-W222 HydrophobicContact CD1-CE3 4.04Å; Y212-W222 AromaticContact CD1-CG 3.85Å; Y212-W222 HydrophobicContact CD1-CG 3.85Å; Y212-W222 HydrophobicContact CD1-CH2 4.46Å; Y212-W222 HydrophobicContact CD1-CZ2 4.03Å; Y212-W222 HydrophobicContact CD1-CZ3 4.47Å; Y212-W222 AromaticContact CD1-NE1 3.83Å; Y212-W222 HydrophobicContact CD2-CB 3.51Å; Y212-W222 AromaticContact CD2-CD2 3.88Å; Y212-W222 HydrophobicContact CD2-CD2 3.88Å; Y212-W222 HydrophobicContact CD2-CE3 4.22Å; Y212-W222 AromaticContact CD2-CG 3.56Å; Y212-W222 HydrophobicContact CD2-CG 3.56Å; Y212-W222 AromaticContact CE1-CD1 3.49Å; Y212-W222 VanDerWaalsContact CE1-CD1 3.49Å; Y212-W222 AromaticContact CE1-CD2 3.89Å; Y212-W222 HydrophobicContact CE1-CD2 3.89Å; Y212-W222 AromaticContact CE1-CE2 3.71Å; Y212-W222 AromaticContact CE1-CG 3.75Å; Y212-W222 HydrophobicContact CE1-CG 3.75Å; Y212-W222 HydrophobicContact CE1-CZ2 4.43Å; Y212-W222 AromaticContact CE1-NE1 3.45Å; Y212-W222 HydrophobicContact CE2-CB 3.41Å; Y212-W222 VanDerWaalsContact CE2-CB 3.41Å; Y212-W222 AromaticContact CE2-CD1 3.74Å; Y212-W222 HydrophobicContact CE2-CD2 4.18Å; Y212-W222 AromaticContact CE2-CG 3.46Å; Y212-W222 HydrophobicContact CE2-CG 3.46Å; Y212-W222 VanDerWaalsContact CE2-CG 3.46Å; Y212-W222 HydrophobicContact CG-CB 4.15Å; Y212-W222 AromaticContact CG-CD2 3.55Å; Y212-W222 HydrophobicContact CG-CD2 3.55Å; Y212-W222 AromaticContact CG-CE3 3.71Å; Y212-W222 HydrophobicContact CG-CE3 3.71Å; Y212-W222 AromaticContact CG-CG 3.75Å; Y212-W222 HydrophobicContact CG-CG 3.75Å; Y212-W222 HydrophobicContact CG-CZ3 4.35Å; Y212-W222 AromaticContact CZ-CD1 3.33Å; Y212-W222 AromaticContact CZ-CG 3.55Å; Y212-W222 AromaticContact CZ-NE1 3.81Å; G218-W222 PolarHBondContact O-N 2.91Å; S220-W222 VanDerWaalsContact C-N 3.26Å; S220-W222 PolarHBondContact O-N 3.13Å; W222-D224 VanDerWaalsContact C-N 3.32Å; W222-D224 PolarHBondContact O-N 3.02Å; W222-L225 HydrophobicContact CE3-CD1 4.22Å; W222-L225 PolarHBondContact O-N 3.3Å; W222-Q226 HydrophobicContact CD2-CG 4.26Å; W222-Q226 HydrophobicContact CZ2-CG 4.04Å; W222-Q226 WeakPolarHBondContact O-CG 3.38Å; W222-Q226 PolarHBondContact O-N 3.11Å; W222-F237 HydrophobicContact CZ3-CZ 4.33Å
223	S	98.3	Very high	97.3	Very high	70 Å²	70	60.6 Å²	60.6	49%	0.49	39%	0.389	S	S	.	.	H	α-helix	trans	-64.5	-39.2	177.7	-58.7	0	0	0	0	111.5	T219 S220 L221 Q226 A227	T219-S223 WeakPolarHBondContact O-CB 3.48Å; T219-S223 PolarHBondContact O-N 3.45Å; T219-S223 PolarHBondContact O-OG 2.97Å; S220-S223 WeakPolarHBondContact O-CB 3.38Å; S220-S223 PolarHBondContact O-N 2.82Å; L221-S223 PolarHBondContact O-N 3.45Å; S223-Q226 PolarHBondContact O-N 3.18Å; S223-A227 WeakPolarHBondContact O-CB 3.31Å; S223-A227 PolarHBondContact O-N 2.86Å
224	D	98.3	Very high	97.1	Very high	56 Å²	56	60.9 Å²	60.9	30%	0.299	39%	0.394	S	S	.	.	H	α-helix	trans	-69.4	-41.1	176.8	-65.1	-40.6	0	0	0	111.6	S220 L221 W222 Q226 A227 Y228 N248	S220-D224 PolarHBondContact O-N 3.36Å; L221-D224 PolarHBondContact O-N 3.46Å; W222-D224 VanDerWaalsContact C-N 3.32Å; W222-D224 PolarHBondContact O-N 3.02Å; D224-Q226 VanDerWaalsContact C-N 3.32Å; D224-Q226 PolarHBondContact O-N 2.73Å; D224-A227 PolarHBondContact O-N 3.02Å; D224-Y228 HydrophobicContact CB-CD2 4.08Å; D224-Y228 HydrophobicContact CB-CE2 4.1Å; D224-Y228 WeakPolarHBondContact O-CB 3.11Å; D224-Y228 WeakPolarHBondContact O-CD2 3.44Å; D224-Y228 PolarHBondContact O-N 3Å; D224-N248 VanDerWaalsContact CB-ND2 3.25Å; D224-N248 WeakPolarHBondContact CB-ND2 3.32Å
225	L	98.4	Very high	97	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	39%	0.386	C	S	.	.	H	α-helix	trans	-56.1	-47.1	170.7	-74.7	164.8	0	0	0	110.8	V208 L217 L221 W222 A227 C229 F237 N248 L249 V252	V208-L225 HydrophobicContact CG1-CD1 3.82Å; V208-L225 HydrophobicContact CG1-CD2 4.48Å; L217-L225 HydrophobicContact CD1-CD1 4.09Å; L221-L225 HydrophobicContact CD1-CD1 4.46Å; L221-L225 HydrophobicContact CD1-CG 4.43Å; L221-L225 HydrophobicContact CG-CD1 4.1Å; L221-L225 WeakPolarHBondContact O-CB 3.49Å; L221-L225 VanDerWaalsContact O-CG 3.29Å; L221-L225 WeakPolarHBondContact O-CG 3.18Å; L221-L225 PolarHBondContact O-N 3.44Å; W222-L225 HydrophobicContact CE3-CD1 4.22Å; W222-L225 PolarHBondContact O-N 3.3Å; L225-A227 PolarHBondContact O-N 3.08Å; L225-C229 WeakPolarHBondContact O-CA 3.44Å; L225-C229 WeakPolarHBondContact O-CB 3.34Å; L225-C229 PolarHBondContact O-N 2.92Å; L225-F237 HydrophobicContact CB-CE1 4.08Å; L225-F237 HydrophobicContact CD2-CD1 4.34Å; L225-F237 HydrophobicContact CD2-CE1 4.02Å; L225-N248 HydrophobicContact CD2-CB 3.68Å; L225-N248 HydrophobicContact CG-CB 4.08Å; L225-L249 HydrophobicContact CD2-CD2 3.86Å; L225-L249 HydrophobicContact CD2-CG 4.05Å; L225-V252 HydrophobicContact CD1-CG2 3.74Å; L225-V252 HydrophobicContact CD2-CG2 4.32Å
226	Q	98.1	Very high	97	Very high	65 Å²	65	57.9 Å²	57.9	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-40.8	176.5	-70.6	-62.3	-50.5	0	0	112.7	W222 S223 D224 C230 C235	W222-Q226 HydrophobicContact CD2-CG 4.26Å; W222-Q226 HydrophobicContact CZ2-CG 4.04Å; W222-Q226 WeakPolarHBondContact O-CG 3.38Å; W222-Q226 PolarHBondContact O-N 3.11Å; S223-Q226 PolarHBondContact O-N 3.18Å; D224-Q226 VanDerWaalsContact C-N 3.32Å; D224-Q226 PolarHBondContact O-N 2.73Å; Q226-C230 WeakPolarHBondContact O-CB 3.49Å; Q226-C235 PolarHBondContact NE2-SG 3.35Å; Q226-C235 VanDerWaalsContact NE2-SG 3.35Å
227	A	98.1	Very high	97	Very high	67 Å²	67	56.1 Å²	56.1	55%	0.554	36%	0.356	S	S	*	.	H	α-helix	trans	-71.8	-34.9	-177.7	0	0	0	0	0	113.6	S223 D224 L225	S223-A227 WeakPolarHBondContact O-CB 3.31Å; S223-A227 PolarHBondContact O-N 2.86Å; D224-A227 PolarHBondContact O-N 3.02Å; L225-A227 PolarHBondContact O-N 3.08Å
228	Y	98.3	Very high	97	Very high	90 Å²	90	56.6 Å²	56.6	35%	0.353	36%	0.357	S	S	.	.	H	α-helix	trans	-107.4	-25	-171.5	-60.6	-61.1	0	0	0	114.3	D224 N242 N244	D224-Y228 HydrophobicContact CB-CD2 4.08Å; D224-Y228 HydrophobicContact CB-CE2 4.1Å; D224-Y228 WeakPolarHBondContact O-CB 3.11Å; D224-Y228 WeakPolarHBondContact O-CD2 3.44Å; D224-Y228 PolarHBondContact O-N 3Å; Y228-N242 PolarHBondContact O-ND2 3.49Å; Y228-N244 HydrophobicContact CD1-CB 3.73Å; Y228-N244 HydrophobicContact CD2-CB 3.7Å; Y228-N244 HydrophobicContact CE1-CB 4.12Å; Y228-N244 VanDerWaalsContact CE1-ND2 3.27Å; Y228-N244 WeakPolarHBondContact CE1-ND2 3.41Å; Y228-N244 HydrophobicContact CE2-CB 4.12Å; Y228-N244 HydrophobicContact CG-CB 3.51Å
229	C	98.3	Very high	96.9	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.02	35%	0.351	C	S	.	.	H	α-helix	trans	-102.2	-11.9	-177.7	-54.7	0	0	0	0	114	L225 D236 F237 N240 C245	L225-C229 WeakPolarHBondContact O-CA 3.44Å; L225-C229 WeakPolarHBondContact O-CB 3.34Å; L225-C229 PolarHBondContact O-N 2.92Å; C229-D236 PolarHBondContact O-N 3.42Å; C229-F237 HydrophobicContact CB-CD1 3.57Å; C229-F237 HydrophobicContact CB-CE1 3.41Å; C229-F237 VanDerWaalsContact CB-CE1 3.41Å; C229-N240 WeakPolarHBondContact CA-ND2 3.5Å; C229-N240 PolarHBondContact O-ND2 2.89Å; C229-C245 WeakPolarHBondContact CA-SG 3.49Å; C229-C245 HydrophobicContact CB-CB 4.03Å; C229-C245 WeakPolarHBondContact CB-SG 3.26Å; C229-C245 WeakPolarHBondContact SG-CA 3.17Å; C229-C245 WeakPolarHBondContact SG-CB 3.45Å; C229-C245 CovalentContact SG-SG 2.03Å; C229-C245 PolarHBondContact SG-SG 3.45Å
230	C	98	Very high	96.8	Very high	25 Å²	25	54.4 Å²	54.4	17%	0.169	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.2	-170.3	-42	0	0	0	0	112.6	Q226 K234 C235	Q226-C230 WeakPolarHBondContact O-CB 3.49Å; C230-K234 CarbonylContact C-O 3.54Å; C230-K234 WeakPolarHBondContact CA-O 3.21Å; C230-K234 WeakPolarHBondContact CB-O 3.33Å; C230-C235 HydrophobicContact CB-CB 3.98Å; C230-C235 WeakPolarHBondContact CB-SG 3.27Å; C230-C235 VanDerWaalsContact SG-CA 3.56Å; C230-C235 WeakPolarHBondContact SG-CB 3.38Å; C230-C235 CovalentContact SG-SG 2.03Å; C230-C235 PolarHBondContact SG-SG 3.36Å
231	D	95.5	Very high	96.7	Very high	143 Å²	143	58.2 Å²	58.2	77%	0.765	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.3	173.8	-176.7	27.2	0	0	0	110	G233 K234	D231-G233 PolarHBondContact O-N 3.18Å; D231-G233 VanDerWaalsContact O-N 3.12Å; D231-K234 PolarHBondContact N-O 3.06Å; D231-K234 PolarHBondContact O-N 3.19Å
232	G	89.9	Confident	96.6	Very high	78 Å²	78	60 Å²	60	80%	0.804	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	29.7	179.8	0	0	0	0	0	115.1	K234	G232-K234 VanDerWaalsContact C-N 3.3Å; G232-K234 PolarHBondContact O-N 3.39Å
233	G	88.7	Confident	96.5	Very high	70 Å²	70	63.5 Å²	63.5	72%	0.722	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	8.5	-177.8	0	0	0	0	0	114.9	D231	D231-G233 PolarHBondContact O-N 3.18Å; D231-G233 VanDerWaalsContact O-N 3.12Å
234	K	94.3	Very high	96.5	Very high	168 Å²	168	63.9 Å²	63.9	73%	0.73	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	130	171.5	-65.3	-179.3	179.5	-180	0	109.2	C230 D231 G232	C230-K234 CarbonylContact C-O 3.54Å; C230-K234 WeakPolarHBondContact CA-O 3.21Å; C230-K234 WeakPolarHBondContact CB-O 3.33Å; D231-K234 PolarHBondContact N-O 3.06Å; D231-K234 PolarHBondContact O-N 3.19Å; G232-K234 VanDerWaalsContact C-N 3.3Å; G232-K234 PolarHBondContact O-N 3.39Å
235	C	97.9	Very high	96.4	Very high	18 Å²	18	61.2 Å²	61.2	12%	0.122	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137.5	175.9	-61.7	0	0	0	0	110.3	Y209 Q226 C230 F237	Y209-C235 HydrophobicContact CE2-CB 4.33Å; Y209-C235 PolarHBondContact OH-SG 3.36Å; Q226-C235 PolarHBondContact NE2-SG 3.35Å; Q226-C235 VanDerWaalsContact NE2-SG 3.35Å; C230-C235 HydrophobicContact CB-CB 3.98Å; C230-C235 WeakPolarHBondContact CB-SG 3.27Å; C230-C235 VanDerWaalsContact SG-CA 3.56Å; C230-C235 WeakPolarHBondContact SG-CB 3.38Å; C230-C235 CovalentContact SG-SG 2.03Å; C230-C235 PolarHBondContact SG-SG 3.36Å; C235-F237 HydrophobicContact CB-CD2 4.02Å; C235-F237 HydrophobicContact CB-CE1 4.05Å; C235-F237 HydrophobicContact CB-CE2 3.47Å; C235-F237 VanDerWaalsContact CB-CE2 3.47Å; C235-F237 HydrophobicContact CB-CZ 3.49Å; C235-F237 VanDerWaalsContact CB-CZ 3.49Å
236	D	98.1	Very high	96.3	Very high	45 Å²	45	62.4 Å²	62.4	24%	0.241	37%	0.365	C	S	.	.			trans	-112.8	104.7	166.6	173.1	14.5	0	0	0	107.6	C229 Y238 N239 N240	C229-D236 PolarHBondContact O-N 3.42Å; D236-Y238 PolarHBondContact OD1-N 2.96Å; D236-N239 PolarHBondContact OD1-N 3.22Å; D236-N239 PolarHBondContact OD1-OD1 3.31Å; D236-N239 PolarHBondContact OD2-OD1 2.68Å; D236-N239 VanDerWaalsContact OD2-OD1 3.11Å; D236-N240 HydrophobicContact CB-CB 4.24Å; D236-N240 WeakPolarHBondContact O-CB 3.25Å; D236-N240 PolarHBondContact O-ND2 2.54Å; D236-N240 VanDerWaalsContact OD2-CA 3.3Å; D236-N240 WeakPolarHBondContact OD2-CA 3.49Å; D236-N240 PolarHBondContact OD2-N 3.49Å; D236-N240 VanDerWaalsContact OD2-N 3.12Å
237	F	98.4	Very high	96.3	Very high	0 Å²	0	63 Å²	63	0%	0	38%	0.377	C	S	.	.			trans	-103.2	-2.4	172.6	-56.2	-53.4	0	0	0	112	N205 V208 Y209 W222 L225 C229 C235 L249 H297	N205-F237 WeakPolarHBondContact OD1-CA 3.45Å; N205-F237 WeakPolarHBondContact OD1-CB 3.12Å; N205-F237 PolarHBondContact OD1-N 3.46Å; V208-F237 HydrophobicContact CB-CB 4.48Å; V208-F237 HydrophobicContact CB-CD1 4.49Å; V208-F237 HydrophobicContact CB-CD2 3.53Å; V208-F237 HydrophobicContact CB-CE2 3.71Å; V208-F237 HydrophobicContact CB-CG 3.94Å; V208-F237 HydrophobicContact CB-CZ 4.27Å; V208-F237 HydrophobicContact CG1-CD1 4.2Å; V208-F237 HydrophobicContact CG1-CD2 3.93Å; V208-F237 HydrophobicContact CG1-CE1 4Å; V208-F237 HydrophobicContact CG1-CE2 3.72Å; V208-F237 HydrophobicContact CG1-CG 4.15Å; V208-F237 HydrophobicContact CG1-CZ 3.76Å; V208-F237 HydrophobicContact CG2-CB 3.76Å; V208-F237 HydrophobicContact CG2-CD1 4.33Å; V208-F237 HydrophobicContact CG2-CD2 3.78Å; V208-F237 HydrophobicContact CG2-CE2 4.42Å; V208-F237 HydrophobicContact CG2-CG 3.71Å; Y209-F237 HydrophobicContact CD2-CE2 4.03Å; Y209-F237 HydrophobicContact CE2-CD2 4.37Å; Y209-F237 AromaticContact CE2-CE2 3.71Å; Y209-F237 HydrophobicContact CE2-CE2 3.71Å; W222-F237 HydrophobicContact CZ3-CZ 4.33Å; L225-F237 HydrophobicContact CB-CE1 4.08Å; L225-F237 HydrophobicContact CD2-CD1 4.34Å; L225-F237 HydrophobicContact CD2-CE1 4.02Å; C229-F237 HydrophobicContact CB-CD1 3.57Å; C229-F237 HydrophobicContact CB-CE1 3.41Å; C229-F237 VanDerWaalsContact CB-CE1 3.41Å; C235-F237 HydrophobicContact CB-CD2 4.02Å; C235-F237 HydrophobicContact CB-CE1 4.05Å; C235-F237 HydrophobicContact CB-CE2 3.47Å; C235-F237 VanDerWaalsContact CB-CE2 3.47Å; C235-F237 HydrophobicContact CB-CZ 3.49Å; C235-F237 VanDerWaalsContact CB-CZ 3.49Å; F237-L249 HydrophobicContact CB-CD1 4.26Å; F237-L249 HydrophobicContact CB-CD2 3.81Å; F237-L249 HydrophobicContact CD1-CD1 4.4Å; F237-L249 HydrophobicContact CD1-CD2 3.75Å; F237-L249 HydrophobicContact CD1-CG 4.46Å; F237-L249 HydrophobicContact CG-CD2 4.06Å; F237-L249 WeakPolarHBondContact O-CD1 3.39Å; F237-H297 PolarHBondContact O-NE2 2.97Å
238	Y	97.6	Very high	96.3	Very high	20 Å²	20	60.9 Å²	60.9	8%	0.078	36%	0.356	C	S	.	.	S	Bend	trans	-89.3	-50.1	-173.2	172	-120.4	0	0	0	112.1	E201 D204 N205 D236 N296 H297 M367	E201-Y238 HydrophobicContact CB-CD1 3.69Å; E201-Y238 HydrophobicContact CB-CD2 4.17Å; E201-Y238 HydrophobicContact CB-CE1 3.86Å; E201-Y238 HydrophobicContact CB-CE2 4.34Å; E201-Y238 HydrophobicContact CB-CG 3.82Å; E201-Y238 HydrophobicContact CG-CD1 3.73Å; E201-Y238 HydrophobicContact CG-CE1 4.32Å; E201-Y238 HydrophobicContact CG-CG 3.94Å; D204-Y238 HydrophobicContact CB-CD2 4.3Å; D204-Y238 WeakPolarHBondContact OD2-CD2 3.13Å; N205-Y238 PolarHBondContact OD1-N 3.03Å; D236-Y238 PolarHBondContact OD1-N 2.96Å; Y238-N296 WeakPolarHBondContact CE1-ND2 3.48Å; Y238-N296 WeakPolarHBondContact CE2-ND2 3.45Å; Y238-N296 WeakPolarHBondContact O-CB 3.28Å; Y238-N296 PolarHBondContact OH-ND2 2.99Å; Y238-H297 PolarHBondContact O-NE2 2.81Å; Y238-M367 HydrophobicContact CE2-CE 4.48Å; Y238-M367 WeakPolarHBondContact OH-CE 3.43Å
239	N	96.1	Very high	96.3	Very high	69 Å²	69	56.6 Å²	56.6	37%	0.369	34%	0.339	S	S	.	.	S	Bend	trans	-143.8	26.7	-174.4	66.6	-19.3	0	0	0	114.2	D236 Q241 N296	D236-N239 PolarHBondContact OD1-N 3.22Å; D236-N239 PolarHBondContact OD1-OD1 3.31Å; D236-N239 PolarHBondContact OD2-OD1 2.68Å; D236-N239 VanDerWaalsContact OD2-OD1 3.11Å; N239-Q241 PolarHBondContact O-N 2.91Å; N239-Q241 PolarHBondContact O-NE2 3.33Å; N239-N296 HydrophobicContact CB-CB 3.96Å
240	N	96.2	Very high	96.2	Very high	34 Å²	34	58.1 Å²	58.1	18%	0.182	35%	0.35	C	S	.	.			trans	-63	131.6	178.3	-165.2	-46.7	0	0	0	112.1	C229 D236 N242 C245	C229-N240 WeakPolarHBondContact CA-ND2 3.5Å; C229-N240 PolarHBondContact O-ND2 2.89Å; D236-N240 HydrophobicContact CB-CB 4.24Å; D236-N240 WeakPolarHBondContact O-CB 3.25Å; D236-N240 PolarHBondContact O-ND2 2.54Å; D236-N240 VanDerWaalsContact OD2-CA 3.3Å; D236-N240 WeakPolarHBondContact OD2-CA 3.49Å; D236-N240 PolarHBondContact OD2-N 3.49Å; D236-N240 VanDerWaalsContact OD2-N 3.12Å; N240-N242 WeakPolarHBondContact OD1-CB 3.49Å; N240-N242 PolarHBondContact OD1-N 3.15Å; N240-C245 HydrophobicContact CB-CB 4.48Å
241	Q	94.6	Very high	96.1	Very high	164 Å²	164	61.9 Å²	61.9	77%	0.766	37%	0.365	S	S	*	.			trans	-88.7	-3.1	-175.1	-57.9	-60.5	-54.3	0	0	113.6	N239 P243	N239-Q241 PolarHBondContact O-N 2.91Å; N239-Q241 PolarHBondContact O-NE2 3.33Å; Q241-P243 WeakPolarHBondContact O-CD 3.46Å
242	N	96.7	Very high	96.2	Very high	50 Å²	50	55 Å²	55	27%	0.267	33%	0.329	S	S	.	.			trans	-70.6	120.5	178.2	-175.1	-27.8	0	0	0	110.4	Y228 N240 N244 C245 S246	Y228-N242 PolarHBondContact O-ND2 3.49Å; N240-N242 WeakPolarHBondContact OD1-CB 3.49Å; N240-N242 PolarHBondContact OD1-N 3.15Å; N242-N244 VanDerWaalsContact C-N 3.26Å; N242-N244 PolarHBondContact O-N 3.2Å; N242-N244 WeakPolarHBondContact OD1-CB 3.45Å; N242-N244 PolarHBondContact OD1-N 2.93Å; N242-C245 HydrophobicContact CB-CB 3.88Å; N242-C245 WeakPolarHBondContact O-CB 3.29Å; N242-C245 PolarHBondContact O-N 3.41Å; N242-S246 PolarHBondContact O-N 3.14Å
243	P	96.6	Very high	96.4	Very high	98 Å²	98	51.8 Å²	51.8	64%	0.636	29%	0.293	S	S	*	.	H	α-helix	trans	-58.9	-34.1	-179.1	-25.6	35.2	0	0	0	114.1	Q241 S246 S247	Q241-P243 WeakPolarHBondContact O-CD 3.46Å; P243-S246 PolarHBondContact O-N 2.84Å; P243-S247 WeakPolarHBondContact O-CB 3.49Å; P243-S247 PolarHBondContact O-N 3.33Å
244	N	97.7	Very high	96.5	Very high	78 Å²	78	52 Å²	52	42%	0.417	28%	0.277	S	S	.	.	H	α-helix	trans	-69.7	-38.5	177.1	-67.3	-15.5	0	0	0	111	Y228 N242 S247 N248	Y228-N244 HydrophobicContact CD1-CB 3.73Å; Y228-N244 HydrophobicContact CD2-CB 3.7Å; Y228-N244 HydrophobicContact CE1-CB 4.12Å; Y228-N244 VanDerWaalsContact CE1-ND2 3.27Å; Y228-N244 WeakPolarHBondContact CE1-ND2 3.41Å; Y228-N244 HydrophobicContact CE2-CB 4.12Å; Y228-N244 HydrophobicContact CG-CB 3.51Å; N242-N244 VanDerWaalsContact C-N 3.26Å; N242-N244 PolarHBondContact O-N 3.2Å; N242-N244 WeakPolarHBondContact OD1-CB 3.45Å; N242-N244 PolarHBondContact OD1-N 2.93Å; N244-S247 PolarHBondContact O-N 3.12Å; N244-N248 PolarHBondContact O-N 3.45Å; N244-N248 PolarHBondContact O-ND2 3.14Å
245	C	98	Very high	96.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-49.2	172.6	179.4	0	0	0	0	110.7	C229 N240 N242 S247 N248 L249	C229-C245 WeakPolarHBondContact CA-SG 3.49Å; C229-C245 HydrophobicContact CB-CB 4.03Å; C229-C245 WeakPolarHBondContact CB-SG 3.26Å; C229-C245 WeakPolarHBondContact SG-CA 3.17Å; C229-C245 WeakPolarHBondContact SG-CB 3.45Å; C229-C245 CovalentContact SG-SG 2.03Å; C229-C245 PolarHBondContact SG-SG 3.45Å; N240-C245 HydrophobicContact CB-CB 4.48Å; N242-C245 HydrophobicContact CB-CB 3.88Å; N242-C245 WeakPolarHBondContact O-CB 3.29Å; N242-C245 PolarHBondContact O-N 3.41Å; C245-S247 VanDerWaalsContact C-N 3.32Å; C245-S247 PolarHBondContact O-N 3.23Å; C245-N248 PolarHBondContact O-N 2.86Å; C245-L249 WeakPolarHBondContact O-CB 3.47Å; C245-L249 WeakPolarHBondContact O-CG 3.07Å; C245-L249 PolarHBondContact O-N 2.94Å; C245-L249 VanDerWaalsContact SG-CD1 3.51Å
246	S	96.4	Very high	96.3	Very high	25 Å²	25	44.8 Å²	44.8	18%	0.175	25%	0.247	C	C	.	.	H	α-helix	trans	-58.9	-41.5	179.2	-169.3	0	0	0	0	112.5	N242 P243 L249 S250 W299	N242-S246 PolarHBondContact O-N 3.14Å; P243-S246 PolarHBondContact O-N 2.84Å; S246-L249 PolarHBondContact O-N 3.26Å; S246-S250 PolarHBondContact O-N 3.09Å; S246-W299 PolarHBondContact O-NE1 3.15Å; S246-W299 PolarHBondContact OG-NE1 2.93Å; S246-W299 VanDerWaalsContact OG-NE1 3.15Å
247	S	96.7	Very high	95.8	Very high	79 Å²	79	44.2 Å²	44.2	55%	0.552	24%	0.241	S	C	*	.	H	α-helix	trans	-62.2	-46.4	175.1	-171.9	0	0	0	0	112.1	P243 N244 C245 L249 S250 E251	P243-S247 WeakPolarHBondContact O-CB 3.49Å; P243-S247 PolarHBondContact O-N 3.33Å; N244-S247 PolarHBondContact O-N 3.12Å; C245-S247 VanDerWaalsContact C-N 3.32Å; C245-S247 PolarHBondContact O-N 3.23Å; S247-L249 VanDerWaalsContact C-N 3.31Å; S247-L249 PolarHBondContact O-N 3.28Å; S247-S250 WeakPolarHBondContact O-CB 3.42Å; S247-S250 PolarHBondContact O-N 2.8Å; S247-E251 PolarHBondContact O-N 3.23Å
248	N	98.1	Very high	95.2	Very high	21 Å²	21	46.6 Å²	46.6	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-36.6	178.6	-67.2	-21.5	0	0	0	111.8	L221 D224 L225 N244 C245 S250 E251 V252	L221-N248 HydrophobicContact CD1-CB 3.84Å; D224-N248 VanDerWaalsContact CB-ND2 3.25Å; D224-N248 WeakPolarHBondContact CB-ND2 3.32Å; L225-N248 HydrophobicContact CD2-CB 3.68Å; L225-N248 HydrophobicContact CG-CB 4.08Å; N244-N248 PolarHBondContact O-N 3.45Å; N244-N248 PolarHBondContact O-ND2 3.14Å; C245-N248 PolarHBondContact O-N 2.86Å; N248-S250 VanDerWaalsContact C-N 3.33Å; N248-E251 WeakPolarHBondContact O-CB 3.34Å; N248-E251 PolarHBondContact O-N 2.89Å; N248-V252 WeakPolarHBondContact O-CG2 3.45Å; N248-V252 PolarHBondContact O-N 3.12Å
249	L	98.1	Very high	94.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-68.6	-31.8	176.5	-72.4	169.1	0	0	0	112.7	V208 L225 F237 C245 S246 S247 E251 V252 Q253 F294 H297 W299	V208-L249 HydrophobicContact CG2-CD2 3.71Å; L225-L249 HydrophobicContact CD2-CD2 3.86Å; L225-L249 HydrophobicContact CD2-CG 4.05Å; F237-L249 HydrophobicContact CB-CD1 4.26Å; F237-L249 HydrophobicContact CB-CD2 3.81Å; F237-L249 HydrophobicContact CD1-CD1 4.4Å; F237-L249 HydrophobicContact CD1-CD2 3.75Å; F237-L249 HydrophobicContact CD1-CG 4.46Å; F237-L249 HydrophobicContact CG-CD2 4.06Å; F237-L249 WeakPolarHBondContact O-CD1 3.39Å; C245-L249 WeakPolarHBondContact O-CB 3.47Å; C245-L249 WeakPolarHBondContact O-CG 3.07Å; C245-L249 PolarHBondContact O-N 2.94Å; C245-L249 VanDerWaalsContact SG-CD1 3.51Å; S246-L249 PolarHBondContact O-N 3.26Å; S247-L249 VanDerWaalsContact C-N 3.31Å; S247-L249 PolarHBondContact O-N 3.28Å; L249-E251 VanDerWaalsContact C-N 3.3Å; L249-E251 PolarHBondContact O-N 3.47Å; L249-V252 PolarHBondContact O-N 3.24Å; L249-Q253 PolarHBondContact O-N 3.11Å; L249-F294 HydrophobicContact CD2-CE1 4.2Å; L249-H297 WeakPolarHBondContact CD1-CE1 3.47Å; L249-W299 HydrophobicContact CB-CZ2 4.28Å
250	S	95.8	Very high	94.5	Very high	36 Å²	36	45.9 Å²	45.9	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-41.3	169.5	-172.9	0	0	0	0	111.2	S246 S247 N248 Q253 D254	S246-S250 PolarHBondContact O-N 3.09Å; S247-S250 WeakPolarHBondContact O-CB 3.42Å; S247-S250 PolarHBondContact O-N 2.8Å; N248-S250 VanDerWaalsContact C-N 3.33Å; S250-Q253 PolarHBondContact O-N 2.73Å; S250-D254 PolarHBondContact O-N 3.21Å
251	E	96.5	Very high	94.5	Very high	103 Å²	103	46.7 Å²	46.7	48%	0.481	27%	0.265	S	S	.	.	H	α-helix	trans	-65.1	-41.4	175.5	-172	177.2	160.5	0	0	111.7	L221 S247 N248 L249 Q253 D254 V255	L221-E251 HydrophobicContact CD1-CB 4.39Å; L221-E251 HydrophobicContact CD2-CB 4.39Å; L221-E251 HydrophobicContact CD2-CG 3.99Å; S247-E251 PolarHBondContact O-N 3.23Å; N248-E251 WeakPolarHBondContact O-CB 3.34Å; N248-E251 PolarHBondContact O-N 2.89Å; L249-E251 VanDerWaalsContact C-N 3.3Å; L249-E251 PolarHBondContact O-N 3.47Å; E251-Q253 VanDerWaalsContact C-N 3.31Å; E251-Q253 PolarHBondContact O-N 2.85Å; E251-D254 PolarHBondContact O-N 2.94Å; E251-V255 WeakPolarHBondContact O-CG2 3.1Å; E251-V255 PolarHBondContact O-N 2.65Å
252	V	97.6	Very high	94.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-58.1	-45.5	173	176.6	0	0	0	0	110.8	V208 L217 L221 L225 N248 L249 D254 V255 V256	V208-V252 HydrophobicContact CG1-CG2 4.42Å; V208-V252 HydrophobicContact CG2-CG1 4.26Å; L217-V252 HydrophobicContact CD1-CG1 4.27Å; L217-V252 HydrophobicContact CD1-CG2 3.79Å; L217-V252 HydrophobicContact CD2-CB 4.5Å; L217-V252 HydrophobicContact CD2-CG1 4.35Å; L217-V252 HydrophobicContact CD2-CG2 4.11Å; L221-V252 HydrophobicContact CD2-CG2 4.22Å; L225-V252 HydrophobicContact CD1-CG2 3.74Å; L225-V252 HydrophobicContact CD2-CG2 4.32Å; N248-V252 WeakPolarHBondContact O-CG2 3.45Å; N248-V252 PolarHBondContact O-N 3.12Å; L249-V252 PolarHBondContact O-N 3.24Å; V252-D254 VanDerWaalsContact C-N 3.31Å; V252-D254 PolarHBondContact O-N 2.99Å; V252-V255 PolarHBondContact O-N 3.09Å; V252-V256 HydrophobicContact CG1-CG2 4.33Å; V252-V256 WeakPolarHBondContact O-CG2 3.16Å; V252-V256 PolarHBondContact O-N 3.49Å
253	Q	93.7	Very high	94.5	Very high	10 Å²	10	37.2 Å²	37.2	5%	0.047	22%	0.219	C	C	.	.	H	α-helix	trans	-64	-38.5	179.1	-157.6	-162.4	42.9	0	0	111.6	L249 S250 E251 V256 Y257 R277 F294 W299	L249-Q253 PolarHBondContact O-N 3.11Å; S250-Q253 PolarHBondContact O-N 2.73Å; E251-Q253 VanDerWaalsContact C-N 3.31Å; E251-Q253 PolarHBondContact O-N 2.85Å; Q253-V256 PolarHBondContact O-N 2.87Å; Q253-Y257 HydrophobicContact CG-CD2 3.92Å; Q253-Y257 WeakPolarHBondContact O-CB 3.46Å; Q253-Y257 PolarHBondContact O-N 3.41Å; Q253-R277 VanDerWaalsContact CG-NH2 3.27Å; Q253-R277 PolarHBondContact O-NH2 3.25Å; Q253-F294 HydrophobicContact CB-CD2 4.15Å; Q253-F294 HydrophobicContact CB-CE2 4.22Å; Q253-F294 HydrophobicContact CG-CD2 3.74Å; Q253-F294 HydrophobicContact CG-CE2 4.05Å; Q253-W299 HydrophobicContact CB-CH2 4Å; Q253-W299 HydrophobicContact CB-CZ3 4.34Å; Q253-W299 HydrophobicContact CG-CH2 4.23Å; Q253-W299 HydrophobicContact CG-CZ3 4.29Å
254	D	92.4	Very high	94.6	Very high	73 Å²	73	33.3 Å²	33.3	39%	0.39	19%	0.192	S	C	.	.	I	π-helix	trans	-64.2	-41.3	174.9	-75.8	-25.2	0	0	0	112	S250 E251 V252 N258 S259 R277	S250-D254 PolarHBondContact O-N 3.21Å; E251-D254 PolarHBondContact O-N 2.94Å; V252-D254 VanDerWaalsContact C-N 3.31Å; V252-D254 PolarHBondContact O-N 2.99Å; D254-N258 HydrophobicContact CB-CB 4.44Å; D254-N258 CarbonylContact O-C 3.57Å; D254-N258 VanDerWaalsContact O-CA 3.26Å; D254-N258 WeakPolarHBondContact O-CA 3.3Å; D254-N258 VanDerWaalsContact O-CB 3.25Å; D254-N258 WeakPolarHBondContact O-CB 3.49Å; D254-N258 PolarHBondContact O-N 2.97Å; D254-N258 PolarHBondContact OD1-ND2 3.24Å; D254-S259 PolarHBondContact O-N 2.93Å; D254-S259 VanDerWaalsContact O-N 3.13Å; D254-R277 IonicContact OD1-NH2 2.8Å
255	V	94.8	Very high	94.6	Very high	35 Å²	35	30.5 Å²	30.5	21%	0.212	18%	0.177	C	C	.	.	I	π-helix	trans	-62.8	-47.9	174.7	172.5	0	0	0	0	111.1	L216 L217 E251 V252 S259	L216-V255 HydrophobicContact CB-CG1 3.94Å; L217-V255 HydrophobicContact CD2-CB 4.26Å; L217-V255 HydrophobicContact CD2-CG1 4.16Å; L217-V255 HydrophobicContact CD2-CG2 4.43Å; E251-V255 WeakPolarHBondContact O-CG2 3.1Å; E251-V255 PolarHBondContact O-N 2.65Å; V252-V255 PolarHBondContact O-N 3.09Å; V255-S259 VanDerWaalsContact O-CB 3.3Å; V255-S259 WeakPolarHBondContact O-CB 3.27Å; V255-S259 PolarHBondContact O-OG 2.79Å
256	V	93.3	Very high	94.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.181	C	C	.	.	I	π-helix	trans	-72.6	-38.9	-174.7	173.6	0	0	0	0	112.5	L207 A211 V252 Q253 I263 M393	L207-V256 HydrophobicContact CD1-CG1 4.27Å; L207-V256 HydrophobicContact CD1-CG2 4.45Å; L207-V256 HydrophobicContact CD2-CG1 4.39Å; A211-V256 HydrophobicContact CB-CG2 4.15Å; V252-V256 HydrophobicContact CG1-CG2 4.33Å; V252-V256 WeakPolarHBondContact O-CG2 3.16Å; V252-V256 PolarHBondContact O-N 3.49Å; Q253-V256 PolarHBondContact O-N 2.87Å; V256-I263 HydrophobicContact CG1-CD1 3.91Å; V256-I263 HydrophobicContact CG1-CG1 4.05Å; V256-M393 HydrophobicContact CG1-CB 4.4Å; V256-M393 HydrophobicContact CG1-CE 4.3Å; V256-M393 HydrophobicContact CG1-SD 4.4Å
257	Y	86.7	Confident	94.7	Very high	33 Å²	33	37.6 Å²	37.6	13%	0.129	20%	0.202	C	C	.	.	I	π-helix	trans	-106.4	-28.6	-172.6	-81.8	-91.9	0	0	0	115	Q253 I263 S293	Q253-Y257 HydrophobicContact CG-CD2 3.92Å; Q253-Y257 WeakPolarHBondContact O-CB 3.46Å; Q253-Y257 PolarHBondContact O-N 3.41Å; Y257-I263 HydrophobicContact CD1-CD1 3.84Å; Y257-I263 HydrophobicContact CD2-CD1 3.91Å; Y257-I263 HydrophobicContact CE1-CD1 3.25Å; Y257-I263 HydrophobicContact CE2-CD1 3.33Å; Y257-I263 HydrophobicContact CG-CD1 4.14Å; Y257-I263 WeakPolarHBondContact OH-CD1 3.3Å; Y257-S293 PolarHBondContact OH-OG 3.25Å
258	N	85.4	Confident	94.8	Very high	50 Å²	50	35.4 Å²	35.4	27%	0.267	19%	0.189	S	C	.	.	I	π-helix	trans	-111.7	-6.8	-167.6	-66.4	-24.4	0	0	0	114.9	D254 G260 R277	D254-N258 HydrophobicContact CB-CB 4.44Å; D254-N258 CarbonylContact O-C 3.57Å; D254-N258 VanDerWaalsContact O-CA 3.26Å; D254-N258 WeakPolarHBondContact O-CA 3.3Å; D254-N258 VanDerWaalsContact O-CB 3.25Å; D254-N258 WeakPolarHBondContact O-CB 3.49Å; D254-N258 PolarHBondContact O-N 2.97Å; D254-N258 PolarHBondContact OD1-ND2 3.24Å; N258-G260 VanDerWaalsContact C-N 3.29Å; N258-G260 PolarHBondContact O-N 2.79Å; N258-R277 VanDerWaalsContact CG-NE 3.29Å; N258-R277 PolarHBondContact ND2-NE 2.93Å; N258-R277 VanDerWaalsContact ND2-NE 3.14Å; N258-R277 PolarHBondContact ND2-NH2 3.14Å; N258-R277 WeakPolarHBondContact OD1-CD 3.42Å; N258-R277 WeakPolarHBondContact OD1-CG 3.42Å; N258-R277 PolarHBondContact OD1-NE 2.57Å
259	S	89.4	Confident	94.7	Very high	55 Å²	55	39.6 Å²	39.6	39%	0.385	22%	0.217	S	C	.	.	S	Bend	trans	-82.8	-6.3	-178.8	69.2	0	0	0	0	113.9	D254 V255 L261	D254-S259 PolarHBondContact O-N 2.93Å; D254-S259 VanDerWaalsContact O-N 3.13Å; V255-S259 VanDerWaalsContact O-CB 3.3Å; V255-S259 WeakPolarHBondContact O-CB 3.27Å; V255-S259 PolarHBondContact O-OG 2.79Å; S259-L261 WeakPolarHBondContact OG-CG 3.23Å
260	G	90.6	Very high	94.5	Very high	20 Å²	20	40.7 Å²	40.7	21%	0.206	23%	0.225	C	C	.	.	S	Bend	trans	86.8	8.2	-173	0	0	0	0	0	114.6	N258 C270	N258-G260 VanDerWaalsContact C-N 3.29Å; N258-G260 PolarHBondContact O-N 2.79Å; G260-C270 VanDerWaalsContact O-CB 3.24Å; G260-C270 WeakPolarHBondContact O-CB 3.19Å
261	L	95.1	Very high	94.2	Very high	50 Å²	50	41.8 Å²	41.8	26%	0.262	23%	0.231	S	C	.	.			trans	-63.9	144.7	165.9	-70.6	174.6	0	0	0	110.7	L216 S259 I263 L266 C323 M393	L216-L261 HydrophobicContact CD1-CD1 3.97Å; L216-L261 HydrophobicContact CD2-CD1 3.91Å; L216-L261 HydrophobicContact CG-CD1 4.46Å; S259-L261 WeakPolarHBondContact OG-CG 3.23Å; L261-I263 PolarHBondContact O-N 3.4Å; L261-L266 HydrophobicContact CD1-CD1 4.36Å; L261-L266 HydrophobicContact CD2-CD1 4.15Å; L261-C323 PolarHBondContact O-SG 2.67Å; L261-C323 VanDerWaalsContact O-SG 3.39Å; L261-M393 HydrophobicContact CB-CE 4.29Å
262	N	96.3	Very high	93.5	Very high	13 Å²	13	41 Å²	41	7%	0.07	25%	0.251	C	S	.	.			trans	-81.9	106.5	171.4	-173.8	-18.5	0	0	0	109.6	Y264 N265 L266 P269 C270 C323	N262-Y264 PolarHBondContact O-N 2.73Å; N262-Y264 WeakPolarHBondContact OD1-CB 3.48Å; N262-Y264 PolarHBondContact OD1-N 3.32Å; N262-N265 WeakPolarHBondContact CB-O 3.26Å; N262-N265 CarbonylContact O-C 3.5Å; N262-N265 PolarHBondContact O-N 3.23Å; N262-N265 PolarHBondContact OD1-N 3.4Å; N262-L266 PolarHBondContact O-N 3.27Å; N262-P269 PolarHBondContact ND2-O 2.86Å; N262-C270 HydrophobicContact CB-CB 4.32Å; N262-C323 HydrophobicContact CB-CB 3.93Å; N262-C323 VanDerWaalsContact CG-CB 3.48Å
263	I	96	Very high	92.9	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.01	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.4	-179.5	-163.7	174.2	0	0	0	113.2	V256 Y257 L261 P322 M393 A394	V256-I263 HydrophobicContact CG1-CD1 3.91Å; V256-I263 HydrophobicContact CG1-CG1 4.05Å; Y257-I263 HydrophobicContact CD1-CD1 3.84Å; Y257-I263 HydrophobicContact CD2-CD1 3.91Å; Y257-I263 HydrophobicContact CE1-CD1 3.25Å; Y257-I263 HydrophobicContact CE2-CD1 3.33Å; Y257-I263 HydrophobicContact CG-CD1 4.14Å; Y257-I263 WeakPolarHBondContact OH-CD1 3.3Å; L261-I263 PolarHBondContact O-N 3.4Å; I263-P322 HydrophobicContact CG2-CB 4.47Å; I263-P322 HydrophobicContact CG2-CG 3.91Å; I263-M393 HydrophobicContact CG1-CB 3.71Å; I263-M393 HydrophobicContact CG1-CE 4.49Å; I263-M393 WeakPolarHBondContact O-CA 3.29Å; I263-M393 WeakPolarHBondContact O-CB 3.45Å; I263-M393 PolarHBondContact O-N 3.48Å; I263-A394 HydrophobicContact CD1-CB 4.29Å; I263-A394 HydrophobicContact CG1-CB 4.18Å; I263-A394 PolarHBondContact O-N 3.02Å
264	Y	97.8	Very high	92.4	Very high	17 Å²	17	48 Å²	48	7%	0.067	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-20.7	-179.8	-60.2	-50.2	0	0	0	112.5	N262 L290 P321 P322 T324 A394 G447 H448	N262-Y264 PolarHBondContact O-N 2.73Å; N262-Y264 WeakPolarHBondContact OD1-CB 3.48Å; N262-Y264 PolarHBondContact OD1-N 3.32Å; Y264-L290 VanDerWaalsContact OH-CD1 3.29Å; Y264-L290 WeakPolarHBondContact OH-CD1 3.48Å; Y264-P321 HydrophobicContact CE2-CB 4.06Å; Y264-P322 VanDerWaalsContact CD2-O 3.23Å; Y264-P322 WeakPolarHBondContact CD2-O 3.18Å; Y264-P322 HydrophobicContact CE2-CG 3.95Å; Y264-P322 WeakPolarHBondContact CE2-O 3.4Å; Y264-P322 WeakPolarHBondContact OH-CD 3.19Å; Y264-T324 HydrophobicContact CD2-CG2 3.88Å; Y264-T324 HydrophobicContact CE2-CG2 3.78Å; Y264-A394 HydrophobicContact CD1-CB 3.76Å; Y264-A394 HydrophobicContact CE1-CB 3.75Å; Y264-G447 CarbonylContact O-C 3.53Å; Y264-G447 WeakPolarHBondContact O-CA 3.39Å; Y264-H448 HydrophobicContact CD1-CB 3.65Å; Y264-H448 AromaticContact CD1-CD2 3.67Å; Y264-H448 AromaticContact CD1-CG 3.58Å; Y264-H448 AromaticContact CE1-CD2 3.9Å; Y264-H448 HydrophobicContact CG-CB 4.04Å; Y264-H448 PolarHBondContact O-N 3.01Å
265	N	98.4	Very high	91.4	Very high	19 Å²	19	46.3 Å²	46.3	10%	0.102	30%	0.301	C	S	.	.			trans	-157	102	174.6	-176.2	-35.4	0	0	0	108.7	N262 Y267 A268 V391 D453	N262-N265 WeakPolarHBondContact CB-O 3.26Å; N262-N265 CarbonylContact O-C 3.5Å; N262-N265 PolarHBondContact O-N 3.23Å; N262-N265 PolarHBondContact OD1-N 3.4Å; N265-Y267 PolarHBondContact O-N 2.83Å; N265-Y267 PolarHBondContact OD1-N 3.3Å; N265-A268 HydrophobicContact CB-CB 3.69Å; N265-A268 WeakPolarHBondContact O-CB 3.35Å; N265-A268 PolarHBondContact O-N 2.75Å; N265-A268 PolarHBondContact OD1-N 3.07Å; N265-V391 WeakPolarHBondContact OD1-CG2 3.46Å; N265-D453 PolarHBondContact ND2-OD2 3.23Å
266	L	98.5	Very high	90.7	Very high	16 Å²	16	52 Å²	52	8%	0.084	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-31.9	-173	172.3	59.9	0	0	0	113.4	F210 H214 L216 L261 N262 V391 M393	F210-L266 HydrophobicContact CE1-CD2 4.06Å; H214-L266 HydrophobicContact CB-CD2 3.65Å; L216-L266 HydrophobicContact CD1-CD1 4.05Å; L216-L266 HydrophobicContact CD2-CD1 3.8Å; L216-L266 HydrophobicContact CG-CD1 4.49Å; L261-L266 HydrophobicContact CD1-CD1 4.36Å; L261-L266 HydrophobicContact CD2-CD1 4.15Å; N262-L266 PolarHBondContact O-N 3.27Å; L266-V391 PolarHBondContact N-O 2.81Å; L266-M393 HydrophobicContact CB-CE 4.38Å; L266-M393 HydrophobicContact CB-SD 4.37Å; L266-M393 HydrophobicContact CD1-CE 3.92Å; L266-M393 HydrophobicContact CD1-SD 3.99Å
267	Y	98.3	Very high	90.2	Very high	157 Å²	157	53 Å²	53	62%	0.616	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-1	-175.6	-54.1	-58	0	0	0	113.6	H214 N265 V391	H214-Y267 PolarHBondContact CD2-OH 2.82Å; N265-Y267 PolarHBondContact O-N 2.83Å; N265-Y267 PolarHBondContact OD1-N 3.3Å; Y267-V391 HydrophobicContact CD2-CB 3.74Å; Y267-V391 HydrophobicContact CD2-CG1 3.56Å; Y267-V391 HydrophobicContact CD2-CG2 4.19Å; Y267-V391 HydrophobicContact CE2-CB 3.83Å; Y267-V391 HydrophobicContact CE2-CG1 3.39Å
268	A	97.6	Very high	90.2	Very high	33 Å²	33	52.8 Å²	52.8	27%	0.273	33%	0.331	S	S	.	.	S	Bend	trans	-89.1	154.6	174.8	0	0	0	0	0	111.3	N265	N265-A268 HydrophobicContact CB-CB 3.69Å; N265-A268 WeakPolarHBondContact O-CB 3.35Å; N265-A268 PolarHBondContact O-N 2.75Å; N265-A268 PolarHBondContact OD1-N 3.07Å
269	P	95.9	Very high	90.3	Very high	109 Å²	109	51.4 Å²	51.4	71%	0.708	33%	0.328	S	S	*	.			trans	-62.5	157.7	166.3	29	-35.1	0	0	0	110.9	N262 P271	N262-P269 PolarHBondContact ND2-O 2.86Å; P269-P271 VanDerWaalsContact O-CD 3.27Å; P269-P271 WeakPolarHBondContact O-CD 3.43Å
270	C	94	Very high	90.3	Very high	24 Å²	24	53 Å²	53	16%	0.162	34%	0.336	C	S	.	.			trans	-95.9	108.3	168.7	-178	0	0	0	0	109.8	G260 N262 G272 G273 C323	G260-C270 VanDerWaalsContact O-CB 3.24Å; G260-C270 WeakPolarHBondContact O-CB 3.19Å; N262-C270 HydrophobicContact CB-CB 4.32Å; C270-G272 PolarHBondContact O-N 3.46Å; C270-G273 WeakPolarHBondContact O-CA 3.32Å; C270-G273 PolarHBondContact O-N 2.89Å; C270-C323 HydrophobicContact CB-CB 3.77Å; C270-C323 WeakPolarHBondContact CB-SG 3.46Å; C270-C323 WeakPolarHBondContact SG-CA 3.44Å; C270-C323 WeakPolarHBondContact SG-CB 3.21Å; C270-C323 CovalentContact SG-SG 2.03Å; C270-C323 PolarHBondContact SG-SG 2.98Å
271	P	89.9	Confident	90	Very high	58 Å²	58	55.2 Å²	55.2	38%	0.377	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	129.4	167.2	-28	32	0	0	0	111.9	P269 G273 C323 N325	P269-P271 VanDerWaalsContact O-CD 3.27Å; P269-P271 WeakPolarHBondContact O-CD 3.43Å; P271-G273 VanDerWaalsContact C-N 3.29Å; P271-C323 WeakPolarHBondContact CD-O 3.05Å; P271-C323 WeakPolarHBondContact CG-O 3.37Å; P271-N325 HydrophobicContact CB-CB 4.14Å
272	G	82.7	Confident	89.6	Confident	88 Å²	88	59.7 Å²	59.7	91%	0.907	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-9.1	-173.6	0	0	0	0	0	114.9	C270	C270-G272 PolarHBondContact O-N 3.46Å
273	G	84.4	Confident	89	Confident	35 Å²	35	61.6 Å²	61.6	36%	0.361	39%	0.39	S	S	.	.			trans	73.7	-156.6	175.2	0	0	0	0	0	114	C270 P271 G275	C270-G273 WeakPolarHBondContact O-CA 3.32Å; C270-G273 PolarHBondContact O-N 2.89Å; P271-G273 VanDerWaalsContact C-N 3.29Å; G273-G275 PolarHBondContact O-N 3.43Å
274	V	82.1	Confident	88.8	Confident	121 Å²	121	64.5 Å²	64.5	73%	0.733	40%	0.403	S	S	*	.	S	Bend	trans	-71.3	101.3	178.7	-174	0	0	0	0	109.2
275	G	73.1	Confident	88.5	Confident	37 Å²	37	63.9 Å²	63.9	38%	0.381	40%	0.401	S	S	.	.			trans	-122	160	-177.8	0	0	0	0	0	113.2	G273	G273-G275 PolarHBondContact O-N 3.43Å
276	Q	79.8	Confident	88.2	Confident	155 Å²	155	63 Å²	63	72%	0.724	40%	0.396	S	S	*	.			trans	-80.5	151.6	173	-64.9	-174.6	-16.4	0	0	111.1	V278	Q276-V278 WeakPolarHBondContact CB-O 3.43Å; Q276-V278 PolarHBondContact O-N 3.43Å; Q276-V278 VanDerWaalsContact O-N 3.1Å
277	R	81.8	Confident	87.9	Confident	22 Å²	22	62.3 Å²	62.3	8%	0.083	39%	0.393	C	S	.	.	S	Bend	trans	-55.3	-28.7	175.4	-57	-159.1	-176.1	160.1	13.3	113.4	Q253 D254 N258 R288 D289 W303	Q253-R277 VanDerWaalsContact CG-NH2 3.27Å; Q253-R277 PolarHBondContact O-NH2 3.25Å; D254-R277 IonicContact OD1-NH2 2.8Å; N258-R277 VanDerWaalsContact CG-NE 3.29Å; N258-R277 PolarHBondContact ND2-NE 2.93Å; N258-R277 VanDerWaalsContact ND2-NE 3.14Å; N258-R277 PolarHBondContact ND2-NH2 3.14Å; N258-R277 WeakPolarHBondContact OD1-CD 3.42Å; N258-R277 WeakPolarHBondContact OD1-CG 3.42Å; N258-R277 PolarHBondContact OD1-NE 2.57Å; R277-R288 PolarHBondContact O-N 3.44Å; R277-D289 HydrophobicContact CB-CB 4.5Å; R277-D289 IonicContact NH1-OD2 2.84Å; R277-W303 HydrophobicContact CB-CZ2 4.2Å
278	V	87.6	Confident	87.5	Confident	27 Å²	27	58.9 Å²	58.9	16%	0.164	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.4	179.5	177.4	0	0	0	0	107.8	Q276 L285 V286 W303 L307	Q276-V278 WeakPolarHBondContact CB-O 3.43Å; Q276-V278 PolarHBondContact O-N 3.43Å; Q276-V278 VanDerWaalsContact O-N 3.1Å; V278-L285 HydrophobicContact CG1-CD1 3.5Å; V278-L285 VanDerWaalsContact CG1-CD1 3.5Å; V278-L285 HydrophobicContact CG1-CG 4.36Å; V278-V286 WeakPolarHBondContact CA-O 3.45Å; V278-W303 HydrophobicContact CB-CH2 4.43Å; V278-W303 HydrophobicContact CB-CZ2 4.38Å; V278-W303 HydrophobicContact CG2-CH2 4.02Å; V278-W303 HydrophobicContact CG2-CZ2 3.54Å; V278-L307 HydrophobicContact CG1-CD1 4.41Å; V278-L307 HydrophobicContact CG2-CD1 3.64Å
279	G	88.1	Confident	87.1	Confident	21 Å²	21	57.8 Å²	57.8	22%	0.216	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-175.5	174.4	0	0	0	0	0	111.3	V286	G279-V286 PolarHBondContact N-O 2.7Å; G279-V286 PolarHBondContact O-N 3.33Å
280	T	88.1	Confident	86.8	Confident	89 Å²	89	53.2 Å²	53.2	55%	0.546	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.8	175.1	-51.4	0	0	0	0	108.7	H284 Y314	T280-H284 CarbonylContact C-O 3.59Å; T280-H284 VanDerWaalsContact CA-O 3.28Å; T280-H284 WeakPolarHBondContact CA-O 3.08Å; T280-H284 WeakPolarHBondContact CG2-O 3.28Å; T280-Y314 HydrophobicContact CG2-CE1 4.33Å
281	D	85.4	Confident	86.6	Confident	67 Å²	67	52.6 Å²	52.6	36%	0.358	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	121.1	173.3	179.3	22	0	0	0	109.1	G283 H284 V286	D281-G283 PolarHBondContact O-N 3Å; D281-H284 PolarHBondContact N-O 3.35Å; D281-H284 WeakPolarHBondContact O-CB 3.43Å; D281-H284 PolarHBondContact O-N 3.16Å; D281-V286 HydrophobicContact CB-CG2 3.76Å
282	N	85.9	Confident	86.6	Confident	144 Å²	144	50.5 Å²	50.5	77%	0.77	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	35.4	-177.6	-64.3	-47.7	0	0	0	114.6	H284	N282-H284 VanDerWaalsContact C-N 3.3Å; N282-H284 PolarHBondContact O-N 2.79Å
283	G	84.6	Confident	87	Confident	53 Å²	53	46.5 Å²	46.5	55%	0.546	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	2.8	-178.3	0	0	0	0	0	115	D281 Y314	D281-G283 PolarHBondContact O-N 3Å; G283-Y314 WeakPolarHBondContact O-CD1 3.46Å
284	H	90.3	Very high	87.5	Confident	63 Å²	63	44.8 Å²	44.8	29%	0.292	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	141.6	171.1	-53.9	158.8	0	0	0	110.4	T280 D281 N282 L316	T280-H284 CarbonylContact C-O 3.59Å; T280-H284 VanDerWaalsContact CA-O 3.28Å; T280-H284 WeakPolarHBondContact CA-O 3.08Å; T280-H284 WeakPolarHBondContact CG2-O 3.28Å; D281-H284 PolarHBondContact N-O 3.35Å; D281-H284 WeakPolarHBondContact O-CB 3.43Å; D281-H284 PolarHBondContact O-N 3.16Å; N282-H284 VanDerWaalsContact C-N 3.3Å; N282-H284 PolarHBondContact O-N 2.79Å; H284-L316 HydrophobicContact CB-CB 4.42Å; H284-L316 WeakPolarHBondContact NE2-CD1 3.05Å
285	L	93.1	Very high	88	Confident	3 Å²	3	40.2 Å²	40.2	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.9	169.4	-174.8	68.9	0	0	0	108.7	V278 I287 V310 A311 Y314 L316 V317 R318	V278-L285 HydrophobicContact CG1-CD1 3.5Å; V278-L285 VanDerWaalsContact CG1-CD1 3.5Å; V278-L285 HydrophobicContact CG1-CG 4.36Å; L285-I287 HydrophobicContact CD2-CD1 4.32Å; L285-I287 HydrophobicContact CD2-CG1 4.31Å; L285-I287 HydrophobicContact CG-CG1 4.3Å; L285-V310 HydrophobicContact CD1-CG1 4.26Å; L285-V310 HydrophobicContact CD2-CG1 4.2Å; L285-A311 HydrophobicContact CD2-CB 3.89Å; L285-Y314 HydrophobicContact CB-CD1 3.9Å; L285-Y314 HydrophobicContact CB-CD2 3.9Å; L285-Y314 HydrophobicContact CB-CE1 4.26Å; L285-Y314 HydrophobicContact CB-CE2 4.26Å; L285-Y314 HydrophobicContact CB-CG 3.7Å; L285-Y314 HydrophobicContact CD1-CD2 4.43Å; L285-Y314 HydrophobicContact CD1-CE2 4.09Å; L285-Y314 HydrophobicContact CD2-CD2 4.21Å; L285-Y314 HydrophobicContact CG-CD2 4.43Å; L285-L316 PolarHBondContact N-O 3.47Å; L285-V317 HydrophobicContact CB-CG1 4.3Å; L285-V317 HydrophobicContact CB-CG2 4.31Å; L285-V317 HydrophobicContact CD2-CG1 4.11Å; L285-V317 HydrophobicContact CD2-CG2 4.38Å; L285-V317 HydrophobicContact CG-CG1 4.42Å; L285-V317 WeakPolarHBondContact O-CA 3.39Å; L285-R318 PolarHBondContact O-N 2.75Å
286	V	91.6	Very high	89	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.9	175.4	-174.2	0	0	0	0	109	V278 G279 D281 R288 R318 D320	V278-V286 WeakPolarHBondContact CA-O 3.45Å; G279-V286 PolarHBondContact N-O 2.7Å; G279-V286 PolarHBondContact O-N 3.33Å; D281-V286 HydrophobicContact CB-CG2 3.76Å; V286-R288 HydrophobicContact CG1-CG 4.35Å; V286-R318 HydrophobicContact CG2-CB 4.45Å; V286-D320 HydrophobicContact CG1-CB 4.17Å; V286-D320 WeakPolarHBondContact CG1-OD2 3.27Å
287	I	92.2	Very high	89.7	Confident	2 Å²	2	34 Å²	34	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	132.2	177.4	-54.7	177.2	0	0	0	107.9	L285 L307 V317 R318 L319 D320 L360	L285-I287 HydrophobicContact CD2-CD1 4.32Å; L285-I287 HydrophobicContact CD2-CG1 4.31Å; L285-I287 HydrophobicContact CG-CG1 4.3Å; I287-L307 HydrophobicContact CD1-CD1 3.89Å; I287-L307 HydrophobicContact CD1-CD2 4.18Å; I287-L307 HydrophobicContact CD1-CG 4.1Å; I287-L307 HydrophobicContact CG1-CD1 4.1Å; I287-L307 HydrophobicContact CG2-CD2 4.02Å; I287-V317 HydrophobicContact CD1-CG1 3.66Å; I287-V317 HydrophobicContact CG1-CG1 4.14Å; I287-R318 PolarHBondContact N-O 3.24Å; I287-L319 HydrophobicContact CB-CD1 3.97Å; I287-L319 HydrophobicContact CG2-CD1 3.83Å; I287-L319 WeakPolarHBondContact O-CA 3.38Å; I287-D320 PolarHBondContact O-N 3.03Å; I287-L360 HydrophobicContact CD1-CD1 3.93Å; I287-L360 HydrophobicContact CD1-CD2 4.12Å; I287-L360 HydrophobicContact CD1-CG 4.35Å
288	R	90.6	Very high	90.2	Very high	84 Å²	84	39.6 Å²	39.6	32%	0.317	22%	0.223	S	C	.	.			trans	-123.8	41.1	179.9	-60.6	-179.1	-179.8	77.7	5.5	111.5	R277 V286 D320	R277-R288 PolarHBondContact O-N 3.44Å; V286-R288 HydrophobicContact CG1-CG 4.35Å; R288-D320 VanDerWaalsContact CA-O 3.3Å; R288-D320 WeakPolarHBondContact CA-O 3.5Å
289	D	89	Confident	90.5	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.059	23%	0.225	C	C	.	.			trans	-147.3	121.9	-179.9	-173.5	-3.5	0	0	0	108	R277 G291	R277-D289 HydrophobicContact CB-CB 4.5Å; R277-D289 IonicContact NH1-OD2 2.84Å; D289-G291 VanDerWaalsContact C-N 3.29Å; D289-G291 WeakPolarHBondContact OD1-CA 3.43Å; D289-G291 PolarHBondContact OD1-N 2.94Å
290	L	89.3	Confident	90.6	Very high	13 Å²	13	40.1 Å²	40.1	7%	0.068	22%	0.217	C	C	.	.			trans	-83.2	-10	177	-63.9	178.5	0	0	0	112.2	Y264 L319 N359 R364	Y264-L290 VanDerWaalsContact OH-CD1 3.29Å; Y264-L290 WeakPolarHBondContact OH-CD1 3.48Å; L290-L319 HydrophobicContact CD2-CD1 4.11Å; L290-L319 HydrophobicContact CD2-CD2 3.77Å; L290-L319 HydrophobicContact CD2-CG 4.01Å; L290-N359 PolarHBondContact O-ND2 3.18Å; L290-N359 VanDerWaalsContact O-ND2 3.15Å; L290-R364 PolarHBondContact O-NH2 2.9Å
291	G	89.1	Confident	90.8	Very high	11 Å²	11	40.1 Å²	40.1	11%	0.113	21%	0.21	C	C	.	.			trans	68.2	46.9	174.9	0	0	0	0	0	113.1	D289 L295 R364	D289-G291 VanDerWaalsContact C-N 3.29Å; D289-G291 WeakPolarHBondContact OD1-CA 3.43Å; D289-G291 PolarHBondContact OD1-N 2.94Å; G291-L295 VanDerWaalsContact O-CD2 3.28Å; G291-L295 WeakPolarHBondContact O-CD2 3.45Å; G291-R364 VanDerWaalsContact O-CZ 3.31Å; G291-R364 PolarHBondContact O-NH2 3.21Å
292	N	89.8	Confident	91.1	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	22%	0.217	C	C	.	.			trans	-111.1	-4.9	-177.8	-66.5	-32.3	0	0	0	114.8	G74 M197 Y200 R364	G74-N292 PolarHBondContact O-ND2 3.33Å; M197-N292 HydrophobicContact CE-CB 4.29Å; Y200-N292 VanDerWaalsContact CD1-O 3.24Å; Y200-N292 WeakPolarHBondContact CD1-O 3.49Å; Y200-N292 HydrophobicContact CE1-CB 4.41Å; Y200-N292 VanDerWaalsContact CE1-O 3.24Å; Y200-N292 WeakPolarHBondContact CE1-O 3.47Å; N292-R364 PolarHBondContact OD1-NE 2.91Å; N292-R364 PolarHBondContact OD1-NH2 3.28Å
293	S	91.4	Very high	91.2	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.028	20%	0.196	C	C	.	.	S	Bend	trans	-117.1	142.4	-173.9	-58.2	0	0	0	0	111	Y257 L295	Y257-S293 PolarHBondContact OH-OG 3.25Å; S293-L295 VanDerWaalsContact C-N 3.28Å; S293-L295 PolarHBondContact O-N 3.42Å
294	F	95.2	Very high	91.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	56.2	38	174.9	-55	-72.1	0	0	0	113.9	D204 L207 V208 L249 Q253 N296 H297 W299 T300	D204-F294 HydrophobicContact CB-CD1 4.21Å; D204-F294 HydrophobicContact CB-CE1 4.18Å; D204-F294 VanDerWaalsContact CG-N 3.32Å; D204-F294 PolarHBondContact OD1-N 2.92Å; D204-F294 VanDerWaalsContact OD2-CA 3.23Å; D204-F294 WeakPolarHBondContact OD2-CA 3.39Å; D204-F294 PolarHBondContact OD2-N 3.27Å; L207-F294 HydrophobicContact CD2-CE2 3.97Å; L207-F294 HydrophobicContact CD2-CZ 4.08Å; V208-F294 HydrophobicContact CG2-CE1 4.05Å; V208-F294 HydrophobicContact CG2-CZ 4.1Å; L249-F294 HydrophobicContact CD2-CE1 4.2Å; Q253-F294 HydrophobicContact CB-CD2 4.15Å; Q253-F294 HydrophobicContact CB-CE2 4.22Å; Q253-F294 HydrophobicContact CG-CD2 3.74Å; Q253-F294 HydrophobicContact CG-CE2 4.05Å; F294-N296 VanDerWaalsContact C-N 3.26Å; F294-N296 PolarHBondContact O-N 3.12Å; F294-H297 PolarHBondContact O-N 3.01Å; F294-W299 HydrophobicContact CB-CH2 3.35Å; F294-W299 HydrophobicContact CB-CZ2 4.09Å; F294-W299 HydrophobicContact CB-CZ3 4.05Å; F294-W299 HydrophobicContact CD2-CH2 4.17Å; F294-W299 AromaticContact CG-CH2 3.82Å; F294-W299 HydrophobicContact CG-CH2 3.82Å; F294-W299 HydrophobicContact CG-CZ2 4.48Å; F294-T300 VanDerWaalsContact O-CB 3.25Å; F294-T300 WeakPolarHBondContact O-CB 3.19Å; F294-T300 PolarHBondContact O-OG1 3.26Å
295	L	93.3	Very high	91.4	Very high	25 Å²	25	41.3 Å²	41.3	13%	0.131	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.2	-172.9	-74.8	-179.7	0	0	0	114.6	Y200 G291 S293 H297 T300 M367	Y200-L295 HydrophobicContact CD1-CD1 3.71Å; Y200-L295 HydrophobicContact CD1-CG 4.44Å; Y200-L295 HydrophobicContact CE1-CD1 3.42Å; Y200-L295 VanDerWaalsContact CE1-CD1 3.42Å; Y200-L295 HydrophobicContact CE1-CG 4.41Å; G291-L295 VanDerWaalsContact O-CD2 3.28Å; G291-L295 WeakPolarHBondContact O-CD2 3.45Å; S293-L295 VanDerWaalsContact C-N 3.28Å; S293-L295 PolarHBondContact O-N 3.42Å; L295-H297 VanDerWaalsContact C-N 3.33Å; L295-T300 HydrophobicContact CD2-CG2 4.23Å; L295-M367 HydrophobicContact CD1-CE 4.2Å
296	N	94	Very high	91.3	Very high	58 Å²	58	48 Å²	48	31%	0.31	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-4.5	-176.6	-70.4	-33.5	0	0	0	114.2	Y238 N239 F294	Y238-N296 WeakPolarHBondContact CE1-ND2 3.48Å; Y238-N296 WeakPolarHBondContact CE2-ND2 3.45Å; Y238-N296 WeakPolarHBondContact O-CB 3.28Å; Y238-N296 PolarHBondContact OH-ND2 2.99Å; N239-N296 HydrophobicContact CB-CB 3.96Å; F294-N296 VanDerWaalsContact C-N 3.26Å; F294-N296 PolarHBondContact O-N 3.12Å
297	H	94.2	Very high	91.3	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.019	23%	0.227	C	C	.	.	S	Bend	trans	-81.1	137.6	176.9	-69.9	-84	0	0	0	111.2	F237 Y238 L249 F294 L295 W299 T300 Q301	F237-H297 PolarHBondContact O-NE2 2.97Å; Y238-H297 PolarHBondContact O-NE2 2.81Å; L249-H297 WeakPolarHBondContact CD1-CE1 3.47Å; F294-H297 PolarHBondContact O-N 3.01Å; L295-H297 VanDerWaalsContact C-N 3.33Å; H297-W299 VanDerWaalsContact C-N 3.25Å; H297-W299 HydrophobicContact CB-CD2 3.85Å; H297-W299 HydrophobicContact CB-CE3 4.43Å; H297-W299 HydrophobicContact CB-CG 4.28Å; H297-W299 HydrophobicContact CB-CH2 4.17Å; H297-W299 HydrophobicContact CB-CZ2 3.56Å; H297-W299 AromaticContact CG-CE2 3.78Å; H297-W299 AromaticContact CG-CZ2 3.6Å; H297-W299 AromaticContact CG-NE1 3.9Å; H297-W299 AromaticContact ND1-NE1 3.91Å; H297-W299 PolarHBondContact O-N 3.06Å; H297-T300 WeakPolarHBondContact O-CB 3.29Å; H297-T300 PolarHBondContact O-N 3.13Å; H297-Q301 PolarHBondContact O-N 3.46Å; H297-Q301 VanDerWaalsContact O-N 3.14Å
298	E	92.4	Very high	91.1	Very high	138 Å²	138	53.2 Å²	53.2	65%	0.645	25%	0.247	S	C	*	.	H	α-helix	trans	-56.5	-39.9	-176.5	-173.8	-178.8	178.4	0	0	112.1	T300 Q301 L302	E298-T300 VanDerWaalsContact C-N 3.33Å; E298-T300 PolarHBondContact O-N 3.39Å; E298-Q301 PolarHBondContact O-N 3.45Å; E298-L302 HydrophobicContact CG-CD1 3.95Å; E298-L302 HydrophobicContact CG-CG 4.32Å; E298-L302 WeakPolarHBondContact O-CB 3.47Å; E298-L302 WeakPolarHBondContact O-CG 3.35Å; E298-L302 PolarHBondContact O-N 2.99Å
299	W	92.3	Very high	91.1	Very high	53 Å²	53	51 Å²	51	20%	0.201	25%	0.25	C	S	.	.	H	α-helix	trans	-63.2	-35.8	178	46.3	-102.2	0	0	0	112.6	S246 L249 Q253 F294 H297 W303	S246-W299 PolarHBondContact O-NE1 3.15Å; S246-W299 PolarHBondContact OG-NE1 2.93Å; S246-W299 VanDerWaalsContact OG-NE1 3.15Å; L249-W299 HydrophobicContact CB-CZ2 4.28Å; Q253-W299 HydrophobicContact CB-CH2 4Å; Q253-W299 HydrophobicContact CB-CZ3 4.34Å; Q253-W299 HydrophobicContact CG-CH2 4.23Å; Q253-W299 HydrophobicContact CG-CZ3 4.29Å; F294-W299 HydrophobicContact CB-CH2 3.35Å; F294-W299 HydrophobicContact CB-CZ2 4.09Å; F294-W299 HydrophobicContact CB-CZ3 4.05Å; F294-W299 HydrophobicContact CD2-CH2 4.17Å; F294-W299 AromaticContact CG-CH2 3.82Å; F294-W299 HydrophobicContact CG-CH2 3.82Å; F294-W299 HydrophobicContact CG-CZ2 4.48Å; H297-W299 VanDerWaalsContact C-N 3.25Å; H297-W299 HydrophobicContact CB-CD2 3.85Å; H297-W299 HydrophobicContact CB-CE3 4.43Å; H297-W299 HydrophobicContact CB-CG 4.28Å; H297-W299 HydrophobicContact CB-CH2 4.17Å; H297-W299 HydrophobicContact CB-CZ2 3.56Å; H297-W299 AromaticContact CG-CE2 3.78Å; H297-W299 AromaticContact CG-CZ2 3.6Å; H297-W299 AromaticContact CG-NE1 3.9Å; H297-W299 AromaticContact ND1-NE1 3.91Å; H297-W299 PolarHBondContact O-N 3.06Å; W299-W303 WeakPolarHBondContact O-CB 3.25Å; W299-W303 PolarHBondContact O-N 2.79Å
300	T	91.7	Very high	91.2	Very high	7 Å²	7	52.8 Å²	52.8	4%	0.043	26%	0.262	C	S	.	.	H	α-helix	trans	-67.1	-43.1	172.8	-59.1	0	0	0	0	111.2	F294 L295 H297 E298 W303 N304	F294-T300 VanDerWaalsContact O-CB 3.25Å; F294-T300 WeakPolarHBondContact O-CB 3.19Å; F294-T300 PolarHBondContact O-OG1 3.26Å; L295-T300 HydrophobicContact CD2-CG2 4.23Å; H297-T300 WeakPolarHBondContact O-CB 3.29Å; H297-T300 PolarHBondContact O-N 3.13Å; E298-T300 VanDerWaalsContact C-N 3.33Å; E298-T300 PolarHBondContact O-N 3.39Å; T300-W303 WeakPolarHBondContact O-CB 3.4Å; T300-W303 PolarHBondContact O-N 2.96Å; T300-N304 WeakPolarHBondContact O-CB 3.42Å; T300-N304 PolarHBondContact O-N 3.03Å; T300-N304 PolarHBondContact O-ND2 3.27Å
301	Q	91.3	Very high	91.3	Very high	89 Å²	89	52.6 Å²	52.6	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-65.1	-45.5	-178.8	-64.9	177.7	15.7	0	0	111.5	H297 E298 N304 Q305	H297-Q301 PolarHBondContact O-N 3.46Å; H297-Q301 VanDerWaalsContact O-N 3.14Å; E298-Q301 PolarHBondContact O-N 3.45Å; Q301-N304 PolarHBondContact O-N 3.29Å; Q301-Q305 WeakPolarHBondContact O-CG 3.17Å; Q301-Q305 PolarHBondContact O-N 3.31Å
302	L	91.9	Very high	91.3	Very high	95 Å²	95	56.7 Å²	56.7	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-63	-42.2	175	-71.3	172.2	0	0	0	111.5	E298 Q305 K306	E298-L302 HydrophobicContact CG-CD1 3.95Å; E298-L302 HydrophobicContact CG-CG 4.32Å; E298-L302 WeakPolarHBondContact O-CB 3.47Å; E298-L302 WeakPolarHBondContact O-CG 3.35Å; E298-L302 PolarHBondContact O-N 2.99Å; L302-Q305 PolarHBondContact O-N 3.02Å; L302-K306 WeakPolarHBondContact O-CB 3.41Å; L302-K306 PolarHBondContact O-N 3.3Å
303	W	89.2	Confident	91.3	Very high	86 Å²	86	62.8 Å²	62.8	33%	0.326	32%	0.32	S	S	.	.	H	α-helix	trans	-58.1	-49.8	174.5	175.1	-104.8	0	0	0	111.6	R277 V278 W299 T300 Q305 K306 L307	R277-W303 HydrophobicContact CB-CZ2 4.2Å; V278-W303 HydrophobicContact CB-CH2 4.43Å; V278-W303 HydrophobicContact CB-CZ2 4.38Å; V278-W303 HydrophobicContact CG2-CH2 4.02Å; V278-W303 HydrophobicContact CG2-CZ2 3.54Å; W299-W303 WeakPolarHBondContact O-CB 3.25Å; W299-W303 PolarHBondContact O-N 2.79Å; T300-W303 WeakPolarHBondContact O-CB 3.4Å; T300-W303 PolarHBondContact O-N 2.96Å; W303-Q305 PolarHBondContact O-N 3.34Å; W303-K306 PolarHBondContact O-N 2.76Å; W303-L307 VanDerWaalsContact O-CB 3.27Å; W303-L307 WeakPolarHBondContact O-CB 3.17Å; W303-L307 PolarHBondContact O-N 3.09Å
304	N	89.5	Confident	91.2	Very high	41 Å²	41	66.3 Å²	66.3	22%	0.219	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-41.3	179.8	-72.8	-19.6	0	0	0	112.2	T300 Q301 L307 K308	T300-N304 WeakPolarHBondContact O-CB 3.42Å; T300-N304 PolarHBondContact O-N 3.03Å; T300-N304 PolarHBondContact O-ND2 3.27Å; Q301-N304 PolarHBondContact O-N 3.29Å; N304-L307 PolarHBondContact O-N 3.45Å; N304-K308 WeakPolarHBondContact O-CG 3.36Å; N304-K308 PolarHBondContact O-N 3.29Å
305	Q	88.9	Confident	90.8	Very high	130 Å²	130	76.5 Å²	76.5	61%	0.607	38%	0.378	S	S	*	.	H	α-helix	trans	-62.8	-46.8	175	-72.7	177	12.3	0	0	111.7	Q301 L302 W303 L307 K308 G309	Q301-Q305 WeakPolarHBondContact O-CG 3.17Å; Q301-Q305 PolarHBondContact O-N 3.31Å; L302-Q305 PolarHBondContact O-N 3.02Å; W303-Q305 PolarHBondContact O-N 3.34Å; Q305-L307 VanDerWaalsContact C-N 3.34Å; Q305-L307 PolarHBondContact O-N 2.89Å; Q305-K308 PolarHBondContact O-N 2.84Å; Q305-G309 PolarHBondContact O-N 2.93Å
306	K	90.9	Very high	90.5	Very high	142 Å²	142	80 Å²	80	62%	0.617	40%	0.396	S	S	*	.	H	α-helix	trans	-62.6	-42.6	177.3	-174.1	-179.4	179.6	-176.4	0	111.3	L302 W303 G309 V310	L302-K306 WeakPolarHBondContact O-CB 3.41Å; L302-K306 PolarHBondContact O-N 3.3Å; W303-K306 PolarHBondContact O-N 2.76Å; K306-G309 PolarHBondContact O-N 3.19Å; K306-V310 HydrophobicContact CG-CG2 4.43Å; K306-V310 WeakPolarHBondContact O-CG2 3.24Å; K306-V310 PolarHBondContact O-N 3.34Å
307	L	90.4	Very high	90.4	Very high	13 Å²	13	79.2 Å²	79.2	7%	0.068	39%	0.394	C	S	.	.	H	α-helix	trans	-61.4	-45.1	179.1	-177.1	58.6	0	0	0	111.3	V278 I287 W303 N304 Q305 G309 V310 A311 L360	V278-L307 HydrophobicContact CG1-CD1 4.41Å; V278-L307 HydrophobicContact CG2-CD1 3.64Å; I287-L307 HydrophobicContact CD1-CD1 3.89Å; I287-L307 HydrophobicContact CD1-CD2 4.18Å; I287-L307 HydrophobicContact CD1-CG 4.1Å; I287-L307 HydrophobicContact CG1-CD1 4.1Å; I287-L307 HydrophobicContact CG2-CD2 4.02Å; W303-L307 VanDerWaalsContact O-CB 3.27Å; W303-L307 WeakPolarHBondContact O-CB 3.17Å; W303-L307 PolarHBondContact O-N 3.09Å; N304-L307 PolarHBondContact O-N 3.45Å; Q305-L307 VanDerWaalsContact C-N 3.34Å; Q305-L307 PolarHBondContact O-N 2.89Å; L307-G309 PolarHBondContact O-N 3.27Å; L307-V310 PolarHBondContact O-N 3.15Å; L307-A311 VanDerWaalsContact O-CB 3.24Å; L307-A311 WeakPolarHBondContact O-CB 3.13Å; L307-A311 PolarHBondContact O-N 3.1Å; L307-L360 HydrophobicContact CD2-CD2 4.18Å; L307-L360 HydrophobicContact CG-CD2 4.19Å
308	K	88.8	Confident	90.3	Very high	100 Å²	100	83.2 Å²	83.2	44%	0.435	41%	0.409	S	S	.	.	H	α-helix	trans	-59.9	-44.7	173.8	-71.5	-177.2	-166.8	-151.4	0	112	N304 Q305 A311 S312 L360	N304-K308 WeakPolarHBondContact O-CG 3.36Å; N304-K308 PolarHBondContact O-N 3.29Å; Q305-K308 PolarHBondContact O-N 2.84Å; K308-A311 PolarHBondContact O-N 2.98Å; K308-S312 PolarHBondContact O-N 3.45Å; K308-S312 VanDerWaalsContact O-N 3.07Å; K308-L360 WeakPolarHBondContact CE-O 3.44Å; K308-L360 HydrophobicContact CG-CD2 4.27Å; K308-L360 PolarHBondContact NZ-O 3.35Å
309	G	90.6	Very high	90.3	Very high	37 Å²	37	76.8 Å²	76.8	38%	0.381	38%	0.379	S	S	.	.	H	α-helix	trans	-59.5	-47.7	175.8	0	0	0	0	0	112.3	Q305 K306 L307 S312	Q305-G309 PolarHBondContact O-N 2.93Å; K306-G309 PolarHBondContact O-N 3.19Å; L307-G309 PolarHBondContact O-N 3.27Å; G309-S312 PolarHBondContact O-N 2.95Å; G309-S312 PolarHBondContact O-OG 3.28Å
310	V	90.4	Very high	90.2	Very high	50 Å²	50	75.6 Å²	75.6	30%	0.303	38%	0.376	S	S	.	.	H	α-helix	trans	-64.1	-45	177.1	173.8	0	0	0	0	111.4	L285 K306 L307 S312 L313 Y314	L285-V310 HydrophobicContact CD1-CG1 4.26Å; L285-V310 HydrophobicContact CD2-CG1 4.2Å; K306-V310 HydrophobicContact CG-CG2 4.43Å; K306-V310 WeakPolarHBondContact O-CG2 3.24Å; K306-V310 PolarHBondContact O-N 3.34Å; L307-V310 PolarHBondContact O-N 3.15Å; V310-S312 PolarHBondContact O-N 2.68Å; V310-L313 WeakPolarHBondContact O-CB 3.42Å; V310-L313 PolarHBondContact O-N 2.74Å; V310-Y314 HydrophobicContact CG1-CD2 4.38Å; V310-Y314 HydrophobicContact CG1-CE2 3.93Å; V310-Y314 WeakPolarHBondContact O-CD2 3.31Å
311	A	91.1	Very high	90.2	Very high	8 Å²	8	75.9 Å²	75.9	7%	0.066	38%	0.378	C	S	.	.	H	α-helix	trans	-56.9	-38.7	178.7	0	0	0	0	0	112.1	L285 L307 K308 L313 Y314 V317 L360	L285-A311 HydrophobicContact CD2-CB 3.89Å; L307-A311 VanDerWaalsContact O-CB 3.24Å; L307-A311 WeakPolarHBondContact O-CB 3.13Å; L307-A311 PolarHBondContact O-N 3.1Å; K308-A311 PolarHBondContact O-N 2.98Å; A311-L313 PolarHBondContact O-N 3.11Å; A311-L313 VanDerWaalsContact O-N 3.14Å; A311-Y314 PolarHBondContact O-N 2.74Å; A311-Y314 VanDerWaalsContact O-N 3.08Å; A311-V317 HydrophobicContact CB-CG1 4.47Å; A311-V317 HydrophobicContact CB-CG2 4.14Å; A311-L360 HydrophobicContact CB-CD1 3.71Å
312	S	89.1	Confident	90	Very high	97 Å²	97	72.3 Å²	72.3	68%	0.678	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.6	176.9	75.7	0	0	0	0	114.9	K308 G309 V310	K308-S312 PolarHBondContact O-N 3.45Å; K308-S312 VanDerWaalsContact O-N 3.07Å; G309-S312 PolarHBondContact O-N 2.95Å; G309-S312 PolarHBondContact O-OG 3.28Å; V310-S312 PolarHBondContact O-N 2.68Å
313	L	90.3	Very high	90	Very high	141 Å²	141	68.6 Å²	68.6	74%	0.738	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.4	177	-56.9	175.8	0	0	0	113.1	V310 A311	V310-L313 WeakPolarHBondContact O-CB 3.42Å; V310-L313 PolarHBondContact O-N 2.74Å; A311-L313 PolarHBondContact O-N 3.11Å; A311-L313 VanDerWaalsContact O-N 3.14Å
314	Y	90.5	Very high	90.1	Very high	79 Å²	79	66.4 Å²	66.4	31%	0.31	34%	0.34	S	S	.	.			trans	-100.4	139	-179	-75.5	-99.5	0	0	0	110.7	T280 G283 L285 V310 A311 L316	T280-Y314 HydrophobicContact CG2-CE1 4.33Å; G283-Y314 WeakPolarHBondContact O-CD1 3.46Å; L285-Y314 HydrophobicContact CB-CD1 3.9Å; L285-Y314 HydrophobicContact CB-CD2 3.9Å; L285-Y314 HydrophobicContact CB-CE1 4.26Å; L285-Y314 HydrophobicContact CB-CE2 4.26Å; L285-Y314 HydrophobicContact CB-CG 3.7Å; L285-Y314 HydrophobicContact CD1-CD2 4.43Å; L285-Y314 HydrophobicContact CD1-CE2 4.09Å; L285-Y314 HydrophobicContact CD2-CD2 4.21Å; L285-Y314 HydrophobicContact CG-CD2 4.43Å; V310-Y314 HydrophobicContact CG1-CD2 4.38Å; V310-Y314 HydrophobicContact CG1-CE2 3.93Å; V310-Y314 WeakPolarHBondContact O-CD2 3.31Å; A311-Y314 PolarHBondContact O-N 2.74Å; A311-Y314 VanDerWaalsContact O-N 3.08Å; Y314-L316 VanDerWaalsContact C-N 3.31Å
315	K	85.1	Confident	90.2	Very high	213 Å²	213	69 Å²	69	93%	0.926	35%	0.354	S	S	*	.	S	Bend	trans	-69.6	-31.2	174.4	-71.1	-177.6	176.6	-178.8	0	112.8
316	L	87.7	Confident	90.4	Very high	99 Å²	99	63.4 Å²	63.4	52%	0.518	33%	0.33	S	S	.	.			trans	-133.6	124.7	-177.6	-71.9	169	0	0	0	108.6	H284 L285 Y314	H284-L316 HydrophobicContact CB-CB 4.42Å; H284-L316 WeakPolarHBondContact NE2-CD1 3.05Å; L285-L316 PolarHBondContact N-O 3.47Å; Y314-L316 VanDerWaalsContact C-N 3.31Å
317	V	91.8	Very high	90.7	Very high	42 Å²	42	60 Å²	60	26%	0.255	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.9	177.9	-174.7	0	0	0	0	107.5	L285 I287 A311 A356 L360	L285-V317 HydrophobicContact CB-CG1 4.3Å; L285-V317 HydrophobicContact CB-CG2 4.31Å; L285-V317 HydrophobicContact CD2-CG1 4.11Å; L285-V317 HydrophobicContact CD2-CG2 4.38Å; L285-V317 HydrophobicContact CG-CG1 4.42Å; L285-V317 WeakPolarHBondContact O-CA 3.39Å; I287-V317 HydrophobicContact CD1-CG1 3.66Å; I287-V317 HydrophobicContact CG1-CG1 4.14Å; A311-V317 HydrophobicContact CB-CG1 4.47Å; A311-V317 HydrophobicContact CB-CG2 4.14Å; V317-A356 HydrophobicContact CB-CB 4.14Å; V317-A356 HydrophobicContact CG1-CB 3.74Å; V317-L360 HydrophobicContact CG1-CD1 4.42Å
318	R	91.8	Very high	91	Very high	88 Å²	88	60 Å²	60	33%	0.332	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.4	175.5	-73.1	-179.4	54.2	-175.7	-4.3	110.2	L285 V286 I287 D320	L285-R318 PolarHBondContact O-N 2.75Å; V286-R318 HydrophobicContact CG2-CB 4.45Å; I287-R318 PolarHBondContact N-O 3.24Å; R318-D320 IonicContact CZ-OD1 3.95Å; R318-D320 IonicContact CZ-OD2 3.48Å; R318-D320 IonicContact NE-OD1 3.3Å; R318-D320 PolarHBondContact NE-OD1 3.14Å; R318-D320 IonicContact NE-OD2 3.8Å; R318-D320 VanDerWaalsContact NH2-CG 3.26Å; R318-D320 IonicContact NH2-OD1 3.61Å; R318-D320 PolarHBondContact NH2-OD1 3.14Å; R318-D320 IonicContact NH2-OD2 3.72Å; R318-D320 PolarHBondContact NH2-OD2 3.24Å
319	L	93.3	Very high	91.5	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.016	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	104.8	169.6	-179.2	61.2	0	0	0	107.7	I287 L290 C354 A356 N359	I287-L319 HydrophobicContact CB-CD1 3.97Å; I287-L319 HydrophobicContact CG2-CD1 3.83Å; I287-L319 WeakPolarHBondContact O-CA 3.38Å; L290-L319 HydrophobicContact CD2-CD1 4.11Å; L290-L319 HydrophobicContact CD2-CD2 3.77Å; L290-L319 HydrophobicContact CD2-CG 4.01Å; L319-C354 HydrophobicContact CB-CB 4.23Å; L319-C354 HydrophobicContact CD2-CB 3.83Å; L319-C354 HydrophobicContact CG-CB 3.95Å; L319-A356 HydrophobicContact CB-CB 3.84Å; L319-N359 HydrophobicContact CD2-CB 3.39Å
320	D	90.8	Very high	91.8	Very high	28 Å²	28	55.4 Å²	55.4	15%	0.15	30%	0.295	C	S	.	.			trans	-105.6	110.7	176.5	-67.9	-8.9	0	0	0	106.7	V286 I287 R288 R318	V286-D320 HydrophobicContact CG1-CB 4.17Å; V286-D320 WeakPolarHBondContact CG1-OD2 3.27Å; I287-D320 PolarHBondContact O-N 3.03Å; R288-D320 VanDerWaalsContact CA-O 3.3Å; R288-D320 WeakPolarHBondContact CA-O 3.5Å; R318-D320 IonicContact CZ-OD1 3.95Å; R318-D320 IonicContact CZ-OD2 3.48Å; R318-D320 IonicContact NE-OD1 3.3Å; R318-D320 PolarHBondContact NE-OD1 3.14Å; R318-D320 IonicContact NE-OD2 3.8Å; R318-D320 VanDerWaalsContact NH2-CG 3.26Å; R318-D320 IonicContact NH2-OD1 3.61Å; R318-D320 PolarHBondContact NH2-OD1 3.14Å; R318-D320 IonicContact NH2-OD2 3.72Å; R318-D320 PolarHBondContact NH2-OD2 3.24Å
321	P	90	Very high	92.2	Very high	12 Å²	12	57.9 Å²	57.9	8%	0.078	31%	0.306	C	S	.	.			trans	-51.4	136.2	178.3	-27.7	35.6	0	0	0	111.1	Y264 C323 T324 V353 C354	Y264-P321 HydrophobicContact CE2-CB 4.06Å; P321-C323 PolarHBondContact O-N 3.19Å; P321-T324 HydrophobicContact CB-CG2 3.85Å; P321-T324 PolarHBondContact O-N 3.16Å; P321-T324 PolarHBondContact O-OG1 3.46Å; P321-V353 HydrophobicContact CG-CG1 4.25Å; P321-C354 HydrophobicContact CG-CB 4.49Å; P321-C354 WeakPolarHBondContact CG-SG 3.5Å
322	P	87.8	Confident	92.5	Very high	14 Å²	14	57.6 Å²	57.6	9%	0.091	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	137.4	-174.9	20.9	-33.5	0	0	0	111.3	I263 Y264 T324	I263-P322 HydrophobicContact CG2-CB 4.47Å; I263-P322 HydrophobicContact CG2-CG 3.91Å; Y264-P322 VanDerWaalsContact CD2-O 3.23Å; Y264-P322 WeakPolarHBondContact CD2-O 3.18Å; Y264-P322 HydrophobicContact CE2-CG 3.95Å; Y264-P322 WeakPolarHBondContact CE2-O 3.4Å; Y264-P322 WeakPolarHBondContact OH-CD 3.19Å; P322-T324 PolarHBondContact O-N 2.88Å
323	C	91.4	Very high	93	Very high	18 Å²	18	53 Å²	53	12%	0.122	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	33.1	177.1	-54.1	0	0	0	0	114.5	L261 N262 C270 P271 P321	L261-C323 PolarHBondContact O-SG 2.67Å; L261-C323 VanDerWaalsContact O-SG 3.39Å; N262-C323 HydrophobicContact CB-CB 3.93Å; N262-C323 VanDerWaalsContact CG-CB 3.48Å; C270-C323 HydrophobicContact CB-CB 3.77Å; C270-C323 WeakPolarHBondContact CB-SG 3.46Å; C270-C323 WeakPolarHBondContact SG-CA 3.44Å; C270-C323 WeakPolarHBondContact SG-CB 3.21Å; C270-C323 CovalentContact SG-SG 2.03Å; C270-C323 PolarHBondContact SG-SG 2.98Å; P271-C323 WeakPolarHBondContact CD-O 3.05Å; P271-C323 WeakPolarHBondContact CG-O 3.37Å; P321-C323 PolarHBondContact O-N 3.19Å
324	T	91.5	Very high	93.4	Very high	39 Å²	39	48.4 Å²	48.4	24%	0.239	25%	0.247	C	C	.	.			trans	-117.4	155.1	169.6	67.9	0	0	0	0	110.5	Y264 P321 P322	Y264-T324 HydrophobicContact CD2-CG2 3.88Å; Y264-T324 HydrophobicContact CE2-CG2 3.78Å; P321-T324 HydrophobicContact CB-CG2 3.85Å; P321-T324 PolarHBondContact O-N 3.16Å; P321-T324 PolarHBondContact O-OG1 3.46Å; P322-T324 PolarHBondContact O-N 2.88Å
325	N	91.8	Very high	93.8	Very high	95 Å²	95	47.2 Å²	47.2	51%	0.508	25%	0.246	S	C	.	.			trans	-123	91.1	170.7	-179.7	17.6	0	0	0	109.8	P271 T327	P271-N325 HydrophobicContact CB-CB 4.14Å; N325-T327 PolarHBondContact O-N 3.19Å; N325-T327 WeakPolarHBondContact OD1-CB 3.24Å; N325-T327 PolarHBondContact OD1-N 2.95Å; N325-T327 VanDerWaalsContact OD1-N 3.16Å; N325-T327 PolarHBondContact OD1-OG1 2.87Å
326	S	94.4	Very high	94.4	Very high	13 Å²	13	41.7 Å²	41.7	9%	0.091	23%	0.232	C	C	.	.			trans	-83.5	6.2	177.6	59.9	0	0	0	0	113.7	S329 T330	S326-S329 PolarHBondContact O-N 2.82Å; S326-T330 VanDerWaalsContact O-CB 3.3Å; S326-T330 WeakPolarHBondContact O-CB 3.04Å; S326-T330 PolarHBondContact O-N 3.42Å; S326-T330 PolarHBondContact O-OG1 2.96Å
327	T	95.5	Very high	94.9	Very high	72 Å²	72	45.5 Å²	45.5	44%	0.442	24%	0.24	S	C	.	.	H	α-helix	trans	-57	-48.7	-177.3	-58.5	0	0	0	0	112.2	N325 S329 T330 L331	N325-T327 PolarHBondContact O-N 3.19Å; N325-T327 WeakPolarHBondContact OD1-CB 3.24Å; N325-T327 PolarHBondContact OD1-N 2.95Å; N325-T327 VanDerWaalsContact OD1-N 3.16Å; N325-T327 PolarHBondContact OD1-OG1 2.87Å; T327-S329 PolarHBondContact O-N 3.09Å; T327-T330 PolarHBondContact O-N 3.38Å; T327-L331 HydrophobicContact CG2-CD1 3.88Å; T327-L331 HydrophobicContact CG2-CG 4.22Å; T327-L331 WeakPolarHBondContact O-CG 3.38Å; T327-L331 PolarHBondContact O-N 2.8Å
328	P	98	Very high	95.3	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.071	23%	0.229	C	C	.	.	H	α-helix	trans	-59.1	-48.6	179.3	-25.2	36.3	0	0	0	113.3	I92 Q93 G96 T330 L331 Y332	I92-P328 HydrophobicContact CG1-CB 3.91Å; I92-P328 HydrophobicContact CG2-CB 4.45Å; Q93-P328 WeakPolarHBondContact O-CB 3.46Å; G96-P328 WeakPolarHBondContact CA-O 3.18Å; P328-T330 VanDerWaalsContact C-N 3.31Å; P328-T330 PolarHBondContact O-N 2.87Å; P328-L331 PolarHBondContact O-N 3.05Å; P328-Y332 WeakPolarHBondContact O-CB 3.49Å; P328-Y332 PolarHBondContact O-N 3.3Å
329	S	98.1	Very high	95.6	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-42.6	176.3	-47	0	0	0	0	111.3	S326 T327 L331 Y332 L333	S326-S329 PolarHBondContact O-N 2.82Å; T327-S329 PolarHBondContact O-N 3.09Å; S329-L331 PolarHBondContact O-N 2.92Å; S329-Y332 PolarHBondContact O-N 3.09Å; S329-L333 VanDerWaalsContact O-CB 3.28Å; S329-L333 WeakPolarHBondContact O-CB 3.35Å; S329-L333 WeakPolarHBondContact O-CG 3.36Å; S329-L333 PolarHBondContact O-N 3.33Å
330	T	97.6	Very high	95.8	Very high	38 Å²	38	44.8 Å²	44.8	23%	0.233	25%	0.249	C	C	.	.	H	α-helix	trans	-64	-42.2	-179.8	-58.2	0	0	0	0	112	S326 T327 P328 N334	S326-T330 VanDerWaalsContact O-CB 3.3Å; S326-T330 WeakPolarHBondContact O-CB 3.04Å; S326-T330 PolarHBondContact O-N 3.42Å; S326-T330 PolarHBondContact O-OG1 2.96Å; T327-T330 PolarHBondContact O-N 3.38Å; P328-T330 VanDerWaalsContact C-N 3.31Å; P328-T330 PolarHBondContact O-N 2.87Å; T330-N334 VanDerWaalsContact O-CB 3.27Å; T330-N334 WeakPolarHBondContact O-CB 3.41Å; T330-N334 PolarHBondContact O-N 2.77Å; T330-N334 PolarHBondContact O-ND2 2.97Å
331	L	98.4	Very high	96.2	Very high	102 Å²	102	44.3 Å²	44.3	53%	0.534	25%	0.249	S	C	.	.	H	α-helix	trans	-65	-45.8	176.6	-72.1	173.7	0	0	0	111.3	T327 P328 S329 N335	T327-L331 HydrophobicContact CG2-CD1 3.88Å; T327-L331 HydrophobicContact CG2-CG 4.22Å; T327-L331 WeakPolarHBondContact O-CG 3.38Å; T327-L331 PolarHBondContact O-N 2.8Å; P328-L331 PolarHBondContact O-N 3.05Å; S329-L331 PolarHBondContact O-N 2.92Å; L331-N335 PolarHBondContact O-N 2.81Å
332	Y	98.8	Very high	96.6	Very high	3 Å²	3	43.7 Å²	43.7	1%	0.012	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-52.5	-179.3	-177.4	-100.8	0	0	0	111.8	L27 P28 L84 I92 G96 L99 P328 S329 N334 N335 V338	L27-Y332 WeakPolarHBondContact CD1-OH 3.34Å; L27-Y332 WeakPolarHBondContact CG-OH 3.48Å; P28-Y332 WeakPolarHBondContact O-CE2 3.29Å; P28-Y332 PolarHBondContact O-OH 3.39Å; L84-Y332 HydrophobicContact CD1-CD1 4.19Å; I92-Y332 HydrophobicContact CD1-CD1 4.43Å; I92-Y332 HydrophobicContact CD1-CD2 3.8Å; I92-Y332 HydrophobicContact CD1-CG 3.67Å; G96-Y332 VanDerWaalsContact O-CA 3.32Å; G96-Y332 WeakPolarHBondContact O-CA 3.09Å; G96-Y332 WeakPolarHBondContact O-CB 3.41Å; G96-Y332 PolarHBondContact O-N 3.07Å; L99-Y332 HydrophobicContact CD1-CE1 4.14Å; L99-Y332 HydrophobicContact CD1-CE2 4.13Å; L99-Y332 WeakPolarHBondContact CD1-OH 3.25Å; L99-Y332 HydrophobicContact CD2-CE1 4.26Å; L99-Y332 HydrophobicContact CD2-CE2 4.25Å; L99-Y332 HydrophobicContact CG-CE1 4.45Å; L99-Y332 HydrophobicContact CG-CE2 3.92Å; P328-Y332 WeakPolarHBondContact O-CB 3.49Å; P328-Y332 PolarHBondContact O-N 3.3Å; S329-Y332 PolarHBondContact O-N 3.09Å; Y332-N334 VanDerWaalsContact C-N 3.31Å; Y332-N334 PolarHBondContact O-N 2.03Å; Y332-N335 WeakPolarHBondContact O-CB 3Å; Y332-N335 PolarHBondContact O-N 2.92Å; Y332-N335 VanDerWaalsContact O-N 3.11Å; Y332-V338 HydrophobicContact CD1-CG1 4.07Å; Y332-V338 HydrophobicContact CD1-CG2 4.48Å; Y332-V338 HydrophobicContact CD2-CG2 4.09Å; Y332-V338 HydrophobicContact CE1-CG1 3.64Å; Y332-V338 HydrophobicContact CE1-CG2 4.11Å; Y332-V338 HydrophobicContact CE2-CG2 3.7Å; Y332-V338 HydrophobicContact CG-CG2 4.45Å; Y332-V338 WeakPolarHBondContact O-CB 3.25Å; Y332-V338 WeakPolarHBondContact O-CG2 3.4Å
333	L	98.8	Very high	97.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-72.2	-22.2	-176.9	-69.5	176.1	0	0	0	112.7	W54 L80 L84 Y123 S329 V338 K339 L342 W351	W54-L333 HydrophobicContact CZ3-CD2 4.47Å; L80-L333 HydrophobicContact CB-CD1 4.22Å; L80-L333 HydrophobicContact CD1-CD1 4.12Å; L80-L333 HydrophobicContact CD1-CD2 4.2Å; L84-L333 HydrophobicContact CD1-CD1 3.74Å; L84-L333 HydrophobicContact CD1-CD2 4.01Å; L84-L333 HydrophobicContact CD1-CG 3.89Å; Y123-L333 HydrophobicContact CE2-CD2 4.21Å; Y123-L333 VanDerWaalsContact OH-CA 3.32Å; Y123-L333 WeakPolarHBondContact OH-CA 3.4Å; Y123-L333 VanDerWaalsContact OH-CB 3.25Å; Y123-L333 WeakPolarHBondContact OH-CB 3.43Å; Y123-L333 PolarHBondContact OH-O 2.88Å; S329-L333 VanDerWaalsContact O-CB 3.28Å; S329-L333 WeakPolarHBondContact O-CB 3.35Å; S329-L333 WeakPolarHBondContact O-CG 3.36Å; S329-L333 PolarHBondContact O-N 3.33Å; L333-V338 HydrophobicContact CD2-CG1 4.3Å; L333-K339 WeakPolarHBondContact O-CE 3.48Å; L333-K339 WeakPolarHBondContact O-CG 3.41Å; L333-L342 HydrophobicContact CD2-CD1 3.94Å; L333-W351 HydrophobicContact CB-CB 4.06Å; L333-W351 HydrophobicContact CB-CD2 3.9Å; L333-W351 HydrophobicContact CB-CE3 4.09Å; L333-W351 HydrophobicContact CB-CG 3.88Å; L333-W351 HydrophobicContact CD1-CD2 3.44Å; L333-W351 VanDerWaalsContact CD1-CD2 3.44Å; L333-W351 HydrophobicContact CD1-CE3 3.86Å; L333-W351 HydrophobicContact CD1-CG 3.95Å; L333-W351 HydrophobicContact CD1-CH2 3.86Å; L333-W351 HydrophobicContact CD1-CZ2 3.46Å; L333-W351 VanDerWaalsContact CD1-CZ2 3.46Å; L333-W351 HydrophobicContact CD1-CZ3 4.06Å; L333-W351 HydrophobicContact CG-CD2 4.32Å
334	N	98.6	Very high	97.5	Very high	44 Å²	44	46.9 Å²	46.9	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-88.3	-1.7	170.9	-73	-63.1	0	0	0	114.7	T330 Y332 K339 P350 W351	T330-N334 VanDerWaalsContact O-CB 3.27Å; T330-N334 WeakPolarHBondContact O-CB 3.41Å; T330-N334 PolarHBondContact O-N 2.77Å; T330-N334 PolarHBondContact O-ND2 2.97Å; Y332-N334 VanDerWaalsContact C-N 3.31Å; Y332-N334 PolarHBondContact O-N 2.03Å; N334-K339 WeakPolarHBondContact OD1-CE 3.18Å; N334-K339 PolarHBondContact OD1-NZ 3.49Å; N334-P350 WeakPolarHBondContact OD1-CA 3.45Å; N334-W351 PolarHBondContact ND2-O 2.95Å; N334-W351 PolarHBondContact OD1-N 2.98Å
335	N	98.5	Very high	97.8	Very high	54 Å²	54	46.1 Å²	46.1	29%	0.289	25%	0.253	S	S	.	.			trans	-63.9	127.7	173.5	-173.6	-59.9	0	0	0	110.6	L331 Y332 Y337 V338 K339	L331-N335 PolarHBondContact O-N 2.81Å; Y332-N335 WeakPolarHBondContact O-CB 3Å; Y332-N335 PolarHBondContact O-N 2.92Å; Y332-N335 VanDerWaalsContact O-N 3.11Å; N335-Y337 VanDerWaalsContact C-N 3.26Å; N335-Y337 PolarHBondContact O-N 2.86Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.29Å; N335-Y337 WeakPolarHBondContact OD1-CD2 3.26Å; N335-Y337 PolarHBondContact OD1-N 3.47Å; N335-V338 HydrophobicContact CB-CB 4.08Å; N335-V338 HydrophobicContact CB-CG2 3.87Å; N335-V338 PolarHBondContact O-N 3.49Å; N335-K339 PolarHBondContact O-N 3.37Å
336	P	98.3	Very high	98	Very high	97 Å²	97	48 Å²	48	63%	0.63	27%	0.271	S	S	*	.	H	α-helix	trans	-57.6	-34	-178.7	-27.1	35	0	0	0	114.5	A340	P336-A340 WeakPolarHBondContact O-CB 3.23Å; P336-A340 PolarHBondContact O-N 3.03Å
337	Y	98.4	Very high	98	Very high	179 Å²	179	51 Å²	51	70%	0.702	29%	0.292	S	S	*	.	H	α-helix	trans	-73.1	-34.4	178	-57.7	-71.8	0	0	0	111.9	N335 A341	N335-Y337 VanDerWaalsContact C-N 3.26Å; N335-Y337 PolarHBondContact O-N 2.86Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.29Å; N335-Y337 WeakPolarHBondContact OD1-CD2 3.26Å; N335-Y337 PolarHBondContact OD1-N 3.47Å; Y337-A341 WeakPolarHBondContact O-CB 3.12Å; Y337-A341 PolarHBondContact O-N 3.13Å
338	V	98.8	Very high	98	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-68.6	-46.9	173.6	175.3	0	0	0	0	109.6	P28 Y332 L333 N335 A340 A341 L342	P28-V338 HydrophobicContact CB-CG2 3.93Å; P28-V338 HydrophobicContact CG-CG2 4Å; Y332-V338 HydrophobicContact CD1-CG1 4.07Å; Y332-V338 HydrophobicContact CD1-CG2 4.48Å; Y332-V338 HydrophobicContact CD2-CG2 4.09Å; Y332-V338 HydrophobicContact CE1-CG1 3.64Å; Y332-V338 HydrophobicContact CE1-CG2 4.11Å; Y332-V338 HydrophobicContact CE2-CG2 3.7Å; Y332-V338 HydrophobicContact CG-CG2 4.45Å; Y332-V338 WeakPolarHBondContact O-CB 3.25Å; Y332-V338 WeakPolarHBondContact O-CG2 3.4Å; L333-V338 HydrophobicContact CD2-CG1 4.3Å; N335-V338 HydrophobicContact CB-CB 4.08Å; N335-V338 HydrophobicContact CB-CG2 3.87Å; N335-V338 PolarHBondContact O-N 3.49Å; V338-A340 VanDerWaalsContact C-N 3.28Å; V338-A340 PolarHBondContact O-N 3.26Å; V338-A341 PolarHBondContact O-N 2.83Å; V338-A341 VanDerWaalsContact O-N 3.09Å; V338-L342 HydrophobicContact CG1-CD1 3.82Å; V338-L342 HydrophobicContact CG1-CG 4.27Å; V338-L342 WeakPolarHBondContact O-CB 3.46Å; V338-L342 WeakPolarHBondContact O-CG 3.38Å; V338-L342 PolarHBondContact O-N 3.37Å
339	K	98.8	Very high	97.8	Very high	49 Å²	49	51.6 Å²	51.6	21%	0.213	29%	0.294	C	S	.	.	H	α-helix	trans	-55.3	-43	174	-76.1	-175.5	166.1	173.6	0	112.6	Y123 L333 N334 N335 L342 H343 I344	Y123-K339 HydrophobicContact CE1-CG 4.25Å; L333-K339 WeakPolarHBondContact O-CE 3.48Å; L333-K339 WeakPolarHBondContact O-CG 3.41Å; N334-K339 WeakPolarHBondContact OD1-CE 3.18Å; N334-K339 PolarHBondContact OD1-NZ 3.49Å; N335-K339 PolarHBondContact O-N 3.37Å; K339-L342 PolarHBondContact O-N 2.86Å; K339-H343 PolarHBondContact O-N 3.19Å; K339-H343 VanDerWaalsContact O-N 3.17Å; K339-I344 HydrophobicContact CB-CB 4.06Å; K339-I344 HydrophobicContact CB-CG1 4.15Å; K339-I344 HydrophobicContact CG-CB 4.27Å; K339-I344 HydrophobicContact CG-CG1 4.19Å; K339-I344 HydrophobicContact CG-CG2 4.44Å; K339-I344 WeakPolarHBondContact O-CB 3.35Å; K339-I344 WeakPolarHBondContact O-CG1 3.46Å; K339-I344 PolarHBondContact O-N 3.04Å
340	A	98.6	Very high	97.7	Very high	69 Å²	69	55.9 Å²	55.9	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-65.6	-42.1	176.1	0	0	0	0	0	112.3	P336 V338 L342 H343	P336-A340 WeakPolarHBondContact O-CB 3.23Å; P336-A340 PolarHBondContact O-N 3.03Å; V338-A340 VanDerWaalsContact C-N 3.28Å; V338-A340 PolarHBondContact O-N 3.26Å; A340-L342 VanDerWaalsContact C-N 3.27Å; A340-L342 PolarHBondContact O-N 3.21Å; A340-H343 PolarHBondContact O-N 2.93Å
341	A	98.6	Very high	97.7	Very high	17 Å²	17	54.3 Å²	54.3	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-31.5	177.3	0	0	0	0	0	113.1	I24 F26 P28 Y337 V338 H343	I24-A341 HydrophobicContact CG2-CB 4.49Å; F26-A341 VanDerWaalsContact O-CB 3.31Å; F26-A341 WeakPolarHBondContact O-CB 3.08Å; P28-A341 HydrophobicContact CG-CB 4.46Å; Y337-A341 WeakPolarHBondContact O-CB 3.12Å; Y337-A341 PolarHBondContact O-N 3.13Å; V338-A341 PolarHBondContact O-N 2.83Å; V338-A341 VanDerWaalsContact O-N 3.09Å; A341-H343 VanDerWaalsContact C-N 3.34Å
342	L	98.8	Very high	97.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	6.2	177.9	-62.9	-178.4	0	0	0	113.3	I24 L27 S40 W54 Y123 L333 V338 K339 A340 I344	I24-L342 HydrophobicContact CD1-CD2 3.52Å; I24-L342 HydrophobicContact CG1-CD2 4.1Å; L27-L342 HydrophobicContact CD1-CD2 4.09Å; S40-L342 WeakPolarHBondContact CB-O 3.32Å; S40-L342 PolarHBondContact OG-O 2.81Å; W54-L342 HydrophobicContact CD2-CD2 3.95Å; W54-L342 HydrophobicContact CE3-CD1 4.04Å; W54-L342 HydrophobicContact CE3-CD2 3.79Å; W54-L342 HydrophobicContact CH2-CD1 4.17Å; W54-L342 HydrophobicContact CH2-CD2 3.56Å; W54-L342 HydrophobicContact CH2-CG 4.43Å; W54-L342 HydrophobicContact CZ2-CD2 3.66Å; W54-L342 HydrophobicContact CZ3-CD1 3.61Å; W54-L342 HydrophobicContact CZ3-CD2 3.62Å; W54-L342 HydrophobicContact CZ3-CG 4.25Å; Y123-L342 HydrophobicContact CE2-CD1 4.26Å; L333-L342 HydrophobicContact CD2-CD1 3.94Å; V338-L342 HydrophobicContact CG1-CD1 3.82Å; V338-L342 HydrophobicContact CG1-CG 4.27Å; V338-L342 WeakPolarHBondContact O-CB 3.46Å; V338-L342 WeakPolarHBondContact O-CG 3.38Å; V338-L342 PolarHBondContact O-N 3.37Å; K339-L342 PolarHBondContact O-N 2.86Å; A340-L342 VanDerWaalsContact C-N 3.27Å; A340-L342 PolarHBondContact O-N 3.21Å; L342-I344 HydrophobicContact CB-CD1 3.73Å; L342-I344 HydrophobicContact CB-CG1 3.8Å; L342-I344 PolarHBondContact O-N 3.07Å
343	H	98.6	Very high	97.6	Very high	76 Å²	76	51.7 Å²	51.7	35%	0.352	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	34.6	178.2	-47.2	-67.1	0	0	0	113.2	V21 D22 E23 S40 K339 A340 A341 S345	V21-H343 PolarHBondContact O-CE1 3.49Å; D22-H343 PolarHBondContact O-CD2 3.2Å; D22-H343 VanDerWaalsContact O-CD2 3.31Å; D22-H343 PolarHBondContact O-NE2 2.04Å; E23-H343 PolarHBondContact O-NE2 3.48Å; S40-H343 PolarHBondContact O-CD2 2.64Å; S40-H343 VanDerWaalsContact O-CD2 3.22Å; K339-H343 PolarHBondContact O-N 3.19Å; K339-H343 VanDerWaalsContact O-N 3.17Å; A340-H343 PolarHBondContact O-N 2.93Å; A341-H343 VanDerWaalsContact C-N 3.34Å; H343-S345 PolarHBondContact O-N 3.35Å
344	I	98.7	Very high	97.5	Very high	23 Å²	23	51.8 Å²	51.8	12%	0.118	30%	0.302	C	S	.	.			trans	-68.2	130	-175.7	-57.7	-50.8	0	0	0	110.7	Y123 K339 L342 A348	Y123-I344 HydrophobicContact CD1-CD1 4.12Å; Y123-I344 HydrophobicContact CD1-CG1 4.16Å; Y123-I344 HydrophobicContact CD1-CG2 3.56Å; Y123-I344 HydrophobicContact CD2-CD1 3.35Å; Y123-I344 HydrophobicContact CD2-CG1 4.11Å; Y123-I344 HydrophobicContact CE1-CD1 4.32Å; Y123-I344 HydrophobicContact CE1-CG1 4.03Å; Y123-I344 HydrophobicContact CE1-CG2 3.92Å; Y123-I344 HydrophobicContact CE2-CD1 3.58Å; Y123-I344 HydrophobicContact CE2-CG1 3.97Å; Y123-I344 HydrophobicContact CG-CD1 3.59Å; Y123-I344 HydrophobicContact CG-CG1 4.15Å; Y123-I344 HydrophobicContact CG-CG2 3.99Å; K339-I344 HydrophobicContact CB-CB 4.06Å; K339-I344 HydrophobicContact CB-CG1 4.15Å; K339-I344 HydrophobicContact CG-CB 4.27Å; K339-I344 HydrophobicContact CG-CG1 4.19Å; K339-I344 HydrophobicContact CG-CG2 4.44Å; K339-I344 WeakPolarHBondContact O-CB 3.35Å; K339-I344 WeakPolarHBondContact O-CG1 3.46Å; K339-I344 PolarHBondContact O-N 3.04Å; L342-I344 HydrophobicContact CB-CD1 3.73Å; L342-I344 HydrophobicContact CB-CG1 3.8Å; L342-I344 PolarHBondContact O-N 3.07Å; I344-A348 HydrophobicContact CG2-CB 3.83Å
345	S	97.6	Very high	97.5	Very high	22 Å²	22	50.1 Å²	50.1	15%	0.154	29%	0.294	C	S	.	.			trans	-62.6	138.5	179	179.7	0	0	0	0	110.9	Y42 Y125 H343 S347 A348	Y42-S345 PolarHBondContact OH-N 2.95Å; Y42-S345 VanDerWaalsContact OH-N 3.16Å; Y125-S345 PolarHBondContact OH-OG 3.14Å; H343-S345 PolarHBondContact O-N 3.35Å; S345-S347 PolarHBondContact O-N 3.02Å; S345-S347 VanDerWaalsContact O-N 3.14Å; S345-S347 PolarHBondContact OG-N 2.71Å; S345-A348 VanDerWaalsContact O-CB 3.29Å; S345-A348 WeakPolarHBondContact O-CB 3.05Å; S345-A348 PolarHBondContact O-N 2.73Å
346	P	95.7	Very high	97.3	Very high	136 Å²	136	47.9 Å²	47.9	88%	0.883	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.4	170.1	-23.5	34	0	0	0	113.8	A348	P346-A348 VanDerWaalsContact C-N 3.32Å
347	S	94.8	Very high	97.1	Very high	76 Å²	76	47.5 Å²	47.5	53%	0.531	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-15.2	175.2	-55.3	0	0	0	0	113.2	S345	S345-S347 PolarHBondContact O-N 3.02Å; S345-S347 VanDerWaalsContact O-N 3.14Å; S345-S347 PolarHBondContact OG-N 2.71Å
348	A	94.9	Very high	97	Very high	16 Å²	16	39 Å²	39	13%	0.132	24%	0.239	C	C	.	.	S	Bend	trans	-70.7	141.5	178.5	0	0	0	0	0	110.9	Y123 Y125 I344 S345 P346	Y123-A348 WeakPolarHBondContact O-CB 3.46Å; Y125-A348 HydrophobicContact CD1-CB 4.31Å; I344-A348 HydrophobicContact CG2-CB 3.83Å; S345-A348 VanDerWaalsContact O-CB 3.29Å; S345-A348 WeakPolarHBondContact O-CB 3.05Å; S345-A348 PolarHBondContact O-N 2.73Å; P346-A348 VanDerWaalsContact C-N 3.32Å
349	L	93.9	Very high	96.9	Very high	79 Å²	79	39.5 Å²	39.5	41%	0.414	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-66.3	162	174.5	-63.5	176.4	0	0	0	111	Y131 W351	Y131-L349 HydrophobicContact CE2-CD1 4.19Å; L349-W351 PolarHBondContact O-N 3.17Å
350	P	96.1	Very high	96.7	Very high	93 Å²	93	38.1 Å²	38.1	60%	0.604	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-52.7	132.9	163.6	-23.8	34.7	0	0	0	110.1	N334 S352	N334-P350 WeakPolarHBondContact OD1-CA 3.45Å; P350-S352 PolarHBondContact O-N 2.81Å
351	W	98.3	Very high	96.6	Very high	4 Å²	4	38 Å²	38	2%	0.015	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-65.4	135.4	-176.9	-173.7	93.1	0	0	0	110.1	S78 L80 E116 G122 Y123 L333 N334 L349 V353	S78-W351 PolarHBondContact OG-NE1 2.89Å; L80-W351 HydrophobicContact CB-CZ2 4.47Å; E116-W351 PolarHBondContact OE1-NE1 2.86Å; G122-W351 VanDerWaalsContact CA-CD1 3.46Å; Y123-W351 HydrophobicContact CD1-CB 4.1Å; Y123-W351 AromaticContact CD2-CD1 3.9Å; Y123-W351 HydrophobicContact CE1-CB 3.56Å; Y123-W351 HydrophobicContact CE1-CG 4.16Å; Y123-W351 AromaticContact CE2-CD1 3.8Å; Y123-W351 HydrophobicContact CE2-CG 4.46Å; Y123-W351 AromaticContact CZ-CD1 3.9Å; L333-W351 HydrophobicContact CB-CB 4.06Å; L333-W351 HydrophobicContact CB-CD2 3.9Å; L333-W351 HydrophobicContact CB-CE3 4.09Å; L333-W351 HydrophobicContact CB-CG 3.88Å; L333-W351 HydrophobicContact CD1-CD2 3.44Å; L333-W351 VanDerWaalsContact CD1-CD2 3.44Å; L333-W351 HydrophobicContact CD1-CE3 3.86Å; L333-W351 HydrophobicContact CD1-CG 3.95Å; L333-W351 HydrophobicContact CD1-CH2 3.86Å; L333-W351 HydrophobicContact CD1-CZ2 3.46Å; L333-W351 VanDerWaalsContact CD1-CZ2 3.46Å; L333-W351 HydrophobicContact CD1-CZ3 4.06Å; L333-W351 HydrophobicContact CG-CD2 4.32Å; N334-W351 PolarHBondContact ND2-O 2.95Å; N334-W351 PolarHBondContact OD1-N 2.98Å; L349-W351 PolarHBondContact O-N 3.17Å; W351-V353 HydrophobicContact CH2-CB 3.84Å; W351-V353 HydrophobicContact CH2-CG2 4.32Å; W351-V353 HydrophobicContact CZ3-CB 4.25Å
352	S	96.9	Very high	96.5	Very high	46 Å²	46	37.6 Å²	37.6	32%	0.322	22%	0.222	S	C	.	.			trans	-133.5	150.9	165.8	63	0	0	0	0	108.9	P350 C354	P350-S352 PolarHBondContact O-N 2.81Å; S352-C354 PolarHBondContact O-N 3.25Å; S352-C354 PolarHBondContact OG-O 2.93Å
353	V	97.2	Very high	96.4	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	25%	0.245	C	C	.	.	S	Bend	trans	-57.9	-39	179.8	65.2	0	0	0	0	111.8	C77 S78 D81 P321 W351	C77-V353 CarbonylContact C-O 3.57Å; C77-V353 VanDerWaalsContact CA-O 3.28Å; C77-V353 WeakPolarHBondContact CA-O 3.46Å; S78-V353 PolarHBondContact N-O 2.98Å; D81-V353 HydrophobicContact CB-CG2 4.29Å; P321-V353 HydrophobicContact CG-CG1 4.25Å; W351-V353 HydrophobicContact CH2-CB 3.84Å; W351-V353 HydrophobicContact CH2-CG2 4.32Å; W351-V353 HydrophobicContact CZ3-CB 4.25Å
354	C	98	Very high	96.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-134.4	145.2	173.4	-53.2	0	0	0	0	110.9	G76 C77 L319 P321 S352	G76-C354 CarbonylContact O-C 3.59Å; G76-C354 VanDerWaalsContact O-CA 3.29Å; G76-C354 WeakPolarHBondContact O-CA 3.28Å; C77-C354 HydrophobicContact CB-CB 4.08Å; C77-C354 WeakPolarHBondContact CB-SG 3.31Å; C77-C354 WeakPolarHBondContact SG-CB 3.43Å; C77-C354 CovalentContact SG-SG 2.04Å; C77-C354 PolarHBondContact SG-SG 3.2Å; L319-C354 HydrophobicContact CB-CB 4.23Å; L319-C354 HydrophobicContact CD2-CB 3.83Å; L319-C354 HydrophobicContact CG-CB 3.95Å; P321-C354 HydrophobicContact CG-CB 4.49Å; P321-C354 WeakPolarHBondContact CG-SG 3.5Å; S352-C354 PolarHBondContact O-N 3.25Å; S352-C354 PolarHBondContact OG-O 2.93Å
355	S	97.4	Very high	96.3	Very high	9 Å²	9	43.2 Å²	43.2	6%	0.063	25%	0.251	C	S	.	.			trans	-91.8	111.7	177.5	178.9	0	0	0	0	110	G76 G120 E357 V358 N359	G76-S355 PolarHBondContact O-N 2.94Å; G120-S355 WeakPolarHBondContact O-CB 3.33Å; G120-S355 PolarHBondContact O-OG 3.3Å; S355-E357 PolarHBondContact O-N 2.99Å; S355-V358 PolarHBondContact O-N 3.15Å; S355-V358 WeakPolarHBondContact OG-CG2 3.25Å; S355-V358 PolarHBondContact OG-N 2.82Å; S355-N359 WeakPolarHBondContact O-CB 3.42Å; S355-N359 PolarHBondContact O-N 3.37Å
356	A	95.3	Very high	96.3	Very high	7 Å²	7	45.4 Å²	45.4	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-36.5	175	0	0	0	0	0	111.5	V317 L319 N359 L360	V317-A356 HydrophobicContact CB-CB 4.14Å; V317-A356 HydrophobicContact CG1-CB 3.74Å; L319-A356 HydrophobicContact CB-CB 3.84Å; A356-N359 PolarHBondContact O-N 2.88Å; A356-L360 VanDerWaalsContact O-CB 3.27Å; A356-L360 WeakPolarHBondContact O-CB 2.81Å; A356-L360 VanDerWaalsContact O-CG 3.25Å; A356-L360 WeakPolarHBondContact O-CG 3.44Å; A356-L360 PolarHBondContact O-N 3.47Å
357	E	93.9	Very high	96.5	Very high	89 Å²	89	41.7 Å²	41.7	42%	0.416	23%	0.228	S	C	.	.	H	α-helix	trans	-66.6	-44.9	-179.5	-172	171.3	177.8	0	0	111.9	Y131 S355 N361	Y131-E357 VanDerWaalsContact CD2-CD 3.4Å; Y131-E357 HydrophobicContact CD2-CG 4.09Å; Y131-E357 WeakPolarHBondContact CD2-OE2 3.47Å; S355-E357 PolarHBondContact O-N 2.99Å; E357-N361 WeakPolarHBondContact O-CB 3.26Å; E357-N361 PolarHBondContact O-N 2.97Å; E357-N361 PolarHBondContact O-ND2 3.14Å
358	V	96.9	Very high	96.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.7	-54	173.6	172.8	0	0	0	0	109.7	P118 A119 V121 S355 L360 N361 Y362	P118-V358 HydrophobicContact CG-CG1 3.64Å; A119-V358 WeakPolarHBondContact O-CG2 3.03Å; V121-V358 HydrophobicContact CG2-CB 4.46Å; V121-V358 HydrophobicContact CG2-CG1 4.31Å; V121-V358 HydrophobicContact CG2-CG2 4.09Å; S355-V358 PolarHBondContact O-N 3.15Å; S355-V358 WeakPolarHBondContact OG-CG2 3.25Å; S355-V358 PolarHBondContact OG-N 2.82Å; V358-L360 PolarHBondContact O-N 2.86Å; V358-N361 CarbonylContact O-C 3.45Å; V358-N361 PolarHBondContact O-N 3.24Å; V358-Y362 HydrophobicContact CG1-CD2 4.17Å; V358-Y362 VanDerWaalsContact O-CB 3.31Å; V358-Y362 WeakPolarHBondContact O-CB 3.47Å; V358-Y362 PolarHBondContact O-N 2.85Å
359	N	96.9	Very high	96.8	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-45.6	-173.2	-177	-92.2	0	0	0	113.1	P75 L290 L319 S355 A356 N361 Y362	P75-N359 WeakPolarHBondContact O-CB 3.3Å; P75-N359 PolarHBondContact O-ND2 3.36Å; L290-N359 PolarHBondContact O-ND2 3.18Å; L290-N359 VanDerWaalsContact O-ND2 3.15Å; L319-N359 HydrophobicContact CD2-CB 3.39Å; S355-N359 WeakPolarHBondContact O-CB 3.42Å; S355-N359 PolarHBondContact O-N 3.37Å; A356-N359 PolarHBondContact O-N 2.88Å; N359-N361 VanDerWaalsContact C-N 3.27Å; N359-N361 PolarHBondContact O-N 3.4Å; N359-Y362 PolarHBondContact O-N 2.67Å
360	L	94.2	Very high	97	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.11	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-28.8	179.9	-72	171.5	0	0	0	112.6	I287 L307 K308 A311 V317 A356 V358	I287-L360 HydrophobicContact CD1-CD1 3.93Å; I287-L360 HydrophobicContact CD1-CD2 4.12Å; I287-L360 HydrophobicContact CD1-CG 4.35Å; L307-L360 HydrophobicContact CD2-CD2 4.18Å; L307-L360 HydrophobicContact CG-CD2 4.19Å; K308-L360 WeakPolarHBondContact CE-O 3.44Å; K308-L360 HydrophobicContact CG-CD2 4.27Å; K308-L360 PolarHBondContact NZ-O 3.35Å; A311-L360 HydrophobicContact CB-CD1 3.71Å; V317-L360 HydrophobicContact CG1-CD1 4.42Å; A356-L360 VanDerWaalsContact O-CB 3.27Å; A356-L360 WeakPolarHBondContact O-CB 2.81Å; A356-L360 VanDerWaalsContact O-CG 3.25Å; A356-L360 WeakPolarHBondContact O-CG 3.44Å; A356-L360 PolarHBondContact O-N 3.47Å; V358-L360 PolarHBondContact O-N 2.86Å
361	N	95.1	Very high	97.1	Very high	66 Å²	66	45 Å²	45	35%	0.353	22%	0.217	S	C	.	.	H	α-helix	trans	-103.4	7.3	-179	-60.9	-62.1	0	0	0	113.2	T132 E357 V358 N359 N363	T132-N361 HydrophobicContact CG2-CB 4.5Å; E357-N361 WeakPolarHBondContact O-CB 3.26Å; E357-N361 PolarHBondContact O-N 2.97Å; E357-N361 PolarHBondContact O-ND2 3.14Å; V358-N361 CarbonylContact O-C 3.45Å; V358-N361 PolarHBondContact O-N 3.24Å; N359-N361 VanDerWaalsContact C-N 3.27Å; N359-N361 PolarHBondContact O-N 3.4Å; N361-N363 PolarHBondContact O-N 3.49Å
362	Y	97.4	Very high	97.1	Very high	9 Å²	9	45.1 Å²	45.1	4%	0.035	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.2	179.7	-160.3	-82.6	0	0	0	111.2	P75 T133 D135 V138 Y168 Y172 V358 N359 R364	P75-Y362 HydrophobicContact CB-CD1 4.03Å; P75-Y362 HydrophobicContact CB-CD2 3.7Å; P75-Y362 HydrophobicContact CB-CE1 4.21Å; P75-Y362 HydrophobicContact CB-CE2 3.87Å; P75-Y362 HydrophobicContact CB-CG 3.78Å; P75-Y362 HydrophobicContact CG-CD1 3.77Å; P75-Y362 HydrophobicContact CG-CD2 4.12Å; P75-Y362 HydrophobicContact CG-CE1 4.32Å; P75-Y362 HydrophobicContact CG-CG 3.66Å; T133-Y362 HydrophobicContact CG2-CD2 3.72Å; T133-Y362 HydrophobicContact CG2-CE2 3.71Å; D135-Y362 VanDerWaalsContact CA-OH 3.29Å; D135-Y362 WeakPolarHBondContact CA-OH 3.39Å; D135-Y362 PolarHBondContact N-OH 2.71Å; D135-Y362 WeakPolarHBondContact OD1-CE1 3.49Å; D135-Y362 PolarHBondContact OD1-OH 2.93Å; V138-Y362 HydrophobicContact CG2-CE2 3.82Å; Y168-Y362 HydrophobicContact CE1-CE1 4.07Å; Y168-Y362 AromaticContact CZ-CE1 3.9Å; Y168-Y362 WeakPolarHBondContact OH-CE1 3.48Å; Y172-Y362 HydrophobicContact CE1-CE2 4.5Å; Y172-Y362 WeakPolarHBondContact CE1-OH 3.2Å; V358-Y362 HydrophobicContact CG1-CD2 4.17Å; V358-Y362 VanDerWaalsContact O-CB 3.31Å; V358-Y362 WeakPolarHBondContact O-CB 3.47Å; V358-Y362 PolarHBondContact O-N 2.85Å; N359-Y362 PolarHBondContact O-N 2.67Å; Y362-R364 HydrophobicContact CD1-CG 4.06Å; Y362-R364 HydrophobicContact CE1-CG 4.4Å
363	N	97.3	Very high	97.2	Very high	90 Å²	90	43 Å²	43	48%	0.481	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	110.8	174.8	-175.7	30.1	0	0	0	111.1	T133 N134 N361 L365	T133-N363 PolarHBondContact O-N 2.91Å; N134-N363 VanDerWaalsContact CA-O 3.24Å; N134-N363 WeakPolarHBondContact CA-O 3.31Å; N134-N363 HydrophobicContact CB-CB 3.97Å; N134-N363 WeakPolarHBondContact CB-O 3.4Å; N361-N363 PolarHBondContact O-N 3.49Å; N363-L365 WeakPolarHBondContact ND2-CD2 3.2Å
364	R	97.1	Very high	97.3	Very high	47 Å²	47	45.9 Å²	45.9	18%	0.177	22%	0.218	C	C	.	.			trans	-79.5	121	177.9	-58.1	172.5	170.9	72	-4.7	108.8	P75 Y168 Y200 L290 G291 N292 Y362	P75-R364 VanDerWaalsContact CD-NH2 3.35Å; Y168-R364 HydrophobicContact CE2-CG 4.33Å; Y168-R364 WeakPolarHBondContact OH-CG 3.38Å; Y200-R364 WeakPolarHBondContact OH-CD 3.5Å; Y200-R364 PolarHBondContact OH-NE 2.99Å; L290-R364 PolarHBondContact O-NH2 2.9Å; G291-R364 VanDerWaalsContact O-CZ 3.31Å; G291-R364 PolarHBondContact O-NH2 3.21Å; N292-R364 PolarHBondContact OD1-NE 2.91Å; N292-R364 PolarHBondContact OD1-NH2 3.28Å; Y362-R364 HydrophobicContact CD1-CG 4.06Å; Y362-R364 HydrophobicContact CE1-CG 4.4Å
365	L	98.1	Very high	97.3	Very high	80 Å²	80	49.2 Å²	49.2	42%	0.419	23%	0.233	S	C	.	.			trans	-108.6	-33.5	-177.1	-62.4	179.4	0	0	0	112.1	N134 D135 T136 N363	N134-L365 HydrophobicContact CB-CD1 3.82Å; N134-L365 HydrophobicContact CB-CG 4.1Å; N134-L365 WeakPolarHBondContact OD1-CD1 3.16Å; D135-L365 HydrophobicContact CB-CB 4.43Å; D135-L365 PolarHBondContact OD2-N 2.8Å; T136-L365 HydrophobicContact CG2-CD1 3.86Å; N363-L365 WeakPolarHBondContact ND2-CD2 3.2Å
366	Y	97.9	Very high	97.3	Very high	68 Å²	68	48.9 Å²	48.9	27%	0.267	23%	0.23	S	C	.	.			trans	-101	113.7	179.2	-62.3	-78.8	0	0	0	110.6	D135 T136 T175 D368 Q372	D135-Y366 HydrophobicContact CB-CD2 3.52Å; D135-Y366 HydrophobicContact CB-CE2 3.85Å; D135-Y366 PolarHBondContact OD2-N 2.9Å; D135-Y366 VanDerWaalsContact OD2-N 3.11Å; T136-Y366 HydrophobicContact CG2-CE2 3.84Å; T175-Y366 HydrophobicContact CG2-CD2 3.95Å; T175-Y366 HydrophobicContact CG2-CE2 3.9Å; Y366-D368 VanDerWaalsContact C-N 3.34Å; Y366-Q372 VanDerWaalsContact CE1-NE2 3.27Å
367	M	97.9	Very high	97.4	Very high	57 Å²	57	48.6 Å²	48.6	28%	0.281	23%	0.228	S	C	.	.	S	Bend	trans	-86.7	-10.5	173.5	-58.2	-49.5	-63.6	0	0	112.9	S199 Y200 Y238 L295	S199-M367 WeakPolarHBondContact CA-O 3.17Å; Y200-M367 HydrophobicContact CD1-CE 4.13Å; Y200-M367 HydrophobicContact CD2-CB 4.42Å; Y200-M367 HydrophobicContact CD2-CE 3.53Å; Y200-M367 WeakPolarHBondContact CD2-O 3.4Å; Y200-M367 HydrophobicContact CD2-SD 4.17Å; Y200-M367 HydrophobicContact CE2-CE 4.1Å; Y200-M367 HydrophobicContact CE2-SD 4.34Å; Y200-M367 HydrophobicContact CG-CE 3.52Å; Y200-M367 PolarHBondContact N-O 3.22Å; Y238-M367 HydrophobicContact CE2-CE 4.48Å; Y238-M367 WeakPolarHBondContact OH-CE 3.43Å; L295-M367 HydrophobicContact CD1-CE 4.2Å
368	D	98	Very high	97.5	Very high	69 Å²	69	47.2 Å²	47.2	37%	0.369	24%	0.237	S	C	.	.	B	Isolated β-bridge	trans	-153.3	160.8	167.9	74.1	84.8	0	0	0	109.6	S198 Y366 R370	S198-D368 WeakPolarHBondContact O-CA 3.01Å; Y366-D368 VanDerWaalsContact C-N 3.34Å; D368-R370 WeakPolarHBondContact OD1-CB 3.36Å; D368-R370 PolarHBondContact OD1-N 2.76Å
369	V	98.6	Very high	97.4	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.			trans	-114.8	23.1	176.2	-73.9	0	0	0	0	113.2	I171 P174 T175 S198 K371 Q372 Y373 F403	I171-V369 HydrophobicContact CD1-CG1 3.76Å; P174-V369 HydrophobicContact CB-CB 4.12Å; P174-V369 HydrophobicContact CB-CG1 4.37Å; P174-V369 HydrophobicContact CB-CG2 4.48Å; P174-V369 HydrophobicContact CG-CB 4.31Å; P174-V369 HydrophobicContact CG-CG2 4.16Å; T175-V369 HydrophobicContact CG2-CG1 4.5Å; S198-V369 WeakPolarHBondContact O-CG2 3.42Å; S198-V369 PolarHBondContact O-N 2.98Å; V369-K371 VanDerWaalsContact C-N 3.26Å; V369-K371 PolarHBondContact O-N 2.8Å; V369-Q372 VanDerWaalsContact C-OE1 3.25Å; V369-Q372 HydrophobicContact CB-CB 4.47Å; V369-Q372 PolarHBondContact O-N 3.03Å; V369-Q372 VanDerWaalsContact O-N 3.16Å; V369-Q372 PolarHBondContact O-OE1 2.99Å; V369-Y373 HydrophobicContact CB-CD2 4.27Å; V369-Y373 HydrophobicContact CB-CE2 4.44Å; V369-Y373 HydrophobicContact CG2-CD2 3.85Å; V369-Y373 HydrophobicContact CG2-CE2 3.66Å; V369-Y373 WeakPolarHBondContact O-CD2 3.37Å; V369-Y373 PolarHBondContact O-N 2.9Å; V369-Y373 VanDerWaalsContact O-N 3.11Å; V369-F403 HydrophobicContact CG2-CE2 4.41Å; V369-F403 HydrophobicContact CG2-CZ 4.01Å
370	R	98.6	Very high	97.1	Very high	94 Å²	94	54.3 Å²	54.3	36%	0.355	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-41.9	-176.8	-179	171.7	-171.9	-175.3	4.3	111.7	D368 Q372 Y373 L374 F403 S406 L407 H408	D368-R370 WeakPolarHBondContact OD1-CB 3.36Å; D368-R370 PolarHBondContact OD1-N 2.76Å; R370-Q372 PolarHBondContact O-N 3.02Å; R370-Y373 PolarHBondContact O-N 2.88Å; R370-L374 HydrophobicContact CG-CD1 3.97Å; R370-L374 HydrophobicContact CG-CG 4.37Å; R370-L374 WeakPolarHBondContact O-CB 3.47Å; R370-L374 VanDerWaalsContact O-CG 3.32Å; R370-L374 WeakPolarHBondContact O-CG 3.21Å; R370-L374 PolarHBondContact O-N 3.4Å; R370-F403 HydrophobicContact CB-CE2 4.1Å; R370-S406 VanDerWaalsContact CZ-O 3.29Å; R370-S406 PolarHBondContact NE-O 3.46Å; R370-S406 PolarHBondContact NH2-O 2.95Å; R370-L407 HydrophobicContact CB-CD2 4.46Å; R370-L407 HydrophobicContact CG-CD2 3.76Å; R370-H408 PolarHBondContact NH2-CD2 2.62Å
371	K	98.4	Very high	97.1	Very high	170 Å²	170	59.7 Å²	59.7	74%	0.739	30%	0.302	S	S	*	.	H	α-helix	trans	-62.4	-42.4	-179.3	-68.8	-179.3	-178.5	173.2	0	111.9	V369 L374 K375	V369-K371 VanDerWaalsContact C-N 3.26Å; V369-K371 PolarHBondContact O-N 2.8Å; K371-L374 PolarHBondContact O-N 3.23Å; K371-K375 WeakPolarHBondContact O-CB 3.38Å; K371-K375 PolarHBondContact O-N 3.18Å
372	Q	98.6	Very high	97.2	Very high	8 Å²	8	56.9 Å²	56.9	4%	0.037	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-46.6	-179.7	-67.8	77.1	1	0	0	110.5	P174 T175 Y366 V369 R370 K375 L376	P174-Q372 HydrophobicContact CB-CB 3.68Å; P174-Q372 HydrophobicContact CB-CG 4.42Å; T175-Q372 HydrophobicContact CG2-CG 4.25Å; Y366-Q372 VanDerWaalsContact CE1-NE2 3.27Å; V369-Q372 VanDerWaalsContact C-OE1 3.25Å; V369-Q372 HydrophobicContact CB-CB 4.47Å; V369-Q372 PolarHBondContact O-N 3.03Å; V369-Q372 VanDerWaalsContact O-N 3.16Å; V369-Q372 PolarHBondContact O-OE1 2.99Å; R370-Q372 PolarHBondContact O-N 3.02Å; Q372-K375 PolarHBondContact O-N 3.07Å; Q372-L376 WeakPolarHBondContact O-CG 3.42Å; Q372-L376 PolarHBondContact O-N 2.94Å
373	Y	98.7	Very high	97.3	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-60.6	-47.5	174.7	-85.9	-90.9	0	0	0	112.1	P174 I191 V369 R370 K375 L376 L377 V384 V386 F403 L407	P174-Y373 HydrophobicContact CB-CD2 4.13Å; P174-Y373 HydrophobicContact CB-CE2 3.99Å; P174-Y373 HydrophobicContact CG-CD2 4.02Å; P174-Y373 HydrophobicContact CG-CE2 3.37Å; I191-Y373 HydrophobicContact CD1-CE1 4.15Å; V369-Y373 HydrophobicContact CB-CD2 4.27Å; V369-Y373 HydrophobicContact CB-CE2 4.44Å; V369-Y373 HydrophobicContact CG2-CD2 3.85Å; V369-Y373 HydrophobicContact CG2-CE2 3.66Å; V369-Y373 WeakPolarHBondContact O-CD2 3.37Å; V369-Y373 PolarHBondContact O-N 2.9Å; V369-Y373 VanDerWaalsContact O-N 3.11Å; R370-Y373 PolarHBondContact O-N 2.88Å; Y373-K375 VanDerWaalsContact C-N 3.29Å; Y373-K375 PolarHBondContact O-N 3.34Å; Y373-L376 PolarHBondContact O-N 2.85Å; Y373-L377 WeakPolarHBondContact O-CB 3.16Å; Y373-L377 WeakPolarHBondContact O-CG 3.49Å; Y373-L377 PolarHBondContact O-N 3.02Å; Y373-V384 HydrophobicContact CD1-CG1 3.87Å; Y373-V384 HydrophobicContact CE1-CG1 3.53Å; Y373-V386 HydrophobicContact CE1-CG2 3.96Å; Y373-F403 HydrophobicContact CD1-CE1 4.34Å; Y373-F403 AromaticContact CD2-CE1 3.52Å; Y373-F403 HydrophobicContact CD2-CE1 3.52Å; Y373-F403 AromaticContact CD2-CZ 3.45Å; Y373-F403 HydrophobicContact CD2-CZ 3.45Å; Y373-F403 VanDerWaalsContact CD2-CZ 3.45Å; Y373-F403 HydrophobicContact CE1-CE1 4.43Å; Y373-F403 AromaticContact CE2-CE1 3.6Å; Y373-F403 HydrophobicContact CE2-CE1 3.6Å; Y373-F403 AromaticContact CE2-CZ 3.85Å; Y373-F403 HydrophobicContact CE2-CZ 3.85Å; Y373-F403 AromaticContact CG-CE1 3.9Å; Y373-F403 HydrophobicContact CG-CE1 3.9Å; Y373-F403 HydrophobicContact CG-CZ 4Å; Y373-L407 HydrophobicContact CD1-CD1 4.23Å; Y373-L407 HydrophobicContact CG-CD1 4.25Å
374	L	98.4	Very high	97.3	Very high	66 Å²	66	54.6 Å²	54.6	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-37.1	178.3	-71.3	175.4	0	0	0	112.5	R370 K371 G378 L407	R370-L374 HydrophobicContact CG-CD1 3.97Å; R370-L374 HydrophobicContact CG-CG 4.37Å; R370-L374 WeakPolarHBondContact O-CB 3.47Å; R370-L374 VanDerWaalsContact O-CG 3.32Å; R370-L374 WeakPolarHBondContact O-CG 3.21Å; R370-L374 PolarHBondContact O-N 3.4Å; K371-L374 PolarHBondContact O-N 3.23Å; L374-G378 PolarHBondContact O-N 2.83Å; L374-L407 HydrophobicContact CD2-CB 4.35Å; L374-L407 HydrophobicContact CD2-CD2 4.37Å; L374-L407 HydrophobicContact CG-CD2 4.33Å
375	K	97.9	Very high	97.4	Very high	72 Å²	72	52.4 Å²	52.4	31%	0.313	26%	0.263	S	S	.	.	H	α-helix	trans	-64.8	-43.8	175.4	-173.6	175	170.7	175.9	0	111.9	E178 M181 E182 K371 Q372 Y373	E178-K375 HydrophobicContact CG-CD 3.9Å; E178-K375 WeakPolarHBondContact OE1-CD 3.11Å; E178-K375 IonicContact OE1-NZ 2.72Å; E178-K375 PolarHBondContact OE1-NZ 2.97Å; M181-K375 HydrophobicContact CE-CG 4.06Å; M181-K375 HydrophobicContact SD-CD 4.12Å; M181-K375 HydrophobicContact SD-CG 3.85Å; E182-K375 IonicContact OE1-NZ 3.8Å; E182-K375 PolarHBondContact OE1-NZ 2.83Å; K371-K375 WeakPolarHBondContact O-CB 3.38Å; K371-K375 PolarHBondContact O-N 3.18Å; Q372-K375 PolarHBondContact O-N 3.07Å; Y373-K375 VanDerWaalsContact C-N 3.29Å; Y373-K375 PolarHBondContact O-N 3.34Å
376	L	97.4	Very high	97.5	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-64	-45.9	175.6	-69.9	166.3	0	0	0	111.8	A177 M181 I191 Q372 Y373 G378 A379 Y382	A177-L376 HydrophobicContact CB-CD1 3.78Å; A177-L376 HydrophobicContact CB-CD2 3.83Å; A177-L376 HydrophobicContact CB-CG 4.38Å; M181-L376 HydrophobicContact CB-CD2 4.43Å; M181-L376 HydrophobicContact SD-CD2 3.79Å; M181-L376 HydrophobicContact SD-CG 4.42Å; I191-L376 HydrophobicContact CD1-CD1 3.66Å; Q372-L376 WeakPolarHBondContact O-CG 3.42Å; Q372-L376 PolarHBondContact O-N 2.94Å; Y373-L376 PolarHBondContact O-N 2.85Å; L376-G378 VanDerWaalsContact C-N 3.34Å; L376-G378 PolarHBondContact O-N 3.2Å; L376-A379 WeakPolarHBondContact O-CB 3.44Å; L376-A379 PolarHBondContact O-N 2.93Å; L376-Y382 HydrophobicContact CB-CD2 4.49Å; L376-Y382 HydrophobicContact CD2-CD2 4.01Å; L376-Y382 HydrophobicContact CD2-CE2 4.21Å; L376-Y382 WeakPolarHBondContact O-CD2 3.24Å
377	L	97.4	Very high	97.5	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-37.6	-178.5	-65.5	167.6	0	0	0	111.6	Y373 A379 L380 V384 L407 Q409 L438	Y373-L377 WeakPolarHBondContact O-CB 3.16Å; Y373-L377 WeakPolarHBondContact O-CG 3.49Å; Y373-L377 PolarHBondContact O-N 3.02Å; L377-A379 PolarHBondContact O-N 3.41Å; L377-A379 VanDerWaalsContact O-N 3.15Å; L377-L380 WeakPolarHBondContact O-CD2 3.38Å; L377-L380 PolarHBondContact O-N 2.47Å; L377-V384 HydrophobicContact CD2-CB 4.29Å; L377-V384 HydrophobicContact CD2-CG2 3.86Å; L377-L407 HydrophobicContact CD1-CD1 3.86Å; L377-Q409 HydrophobicContact CD1-CG 3.85Å; L377-L438 HydrophobicContact CD1-CD2 4.14Å; L377-L438 HydrophobicContact CD2-CB 3.82Å
378	G	96.4	Very high	97.6	Very high	59 Å²	59	42.7 Å²	42.7	61%	0.608	22%	0.217	S	C	*	.	H	α-helix	trans	-61.6	-19.5	175.9	0	0	0	0	0	114.6	L374 L376 L380	L374-G378 PolarHBondContact O-N 2.83Å; L376-G378 VanDerWaalsContact C-N 3.34Å; L376-G378 PolarHBondContact O-N 3.2Å; G378-L380 VanDerWaalsContact C-N 3.3Å
379	A	94.3	Very high	97.6	Very high	38 Å²	38	39.4 Å²	39.4	31%	0.314	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-14.7	174	0	0	0	0	0	113.4	M181 L376 L377 K381 Y382	M181-A379 HydrophobicContact CE-CB 4.23Å; L376-A379 WeakPolarHBondContact O-CB 3.44Å; L376-A379 PolarHBondContact O-N 2.93Å; L377-A379 PolarHBondContact O-N 3.41Å; L377-A379 VanDerWaalsContact O-N 3.15Å; A379-K381 HydrophobicContact CB-CG 4.28Å; A379-K381 PolarHBondContact O-N 2.7Å; A379-Y382 HydrophobicContact CB-CD2 3.89Å; A379-Y382 HydrophobicContact CB-CE2 3.65Å
380	L	90.9	Very high	97.6	Very high	123 Å²	123	40.9 Å²	40.9	64%	0.644	21%	0.208	S	C	*	.	S	Bend	trans	53.7	14.3	176.2	-59	174.4	0	0	0	116.2	L377 G378	L377-L380 WeakPolarHBondContact O-CD2 3.38Å; L377-L380 PolarHBondContact O-N 2.47Å; G378-L380 VanDerWaalsContact C-N 3.3Å
381	K	94.6	Very high	97.6	Very high	134 Å²	134	36.8 Å²	36.8	58%	0.583	19%	0.193	S	C	*	.			trans	-117.2	-16	-178.3	71	-177.5	-174.4	-179.6	0	114.2	A379	A379-K381 HydrophobicContact CB-CG 4.28Å; A379-K381 PolarHBondContact O-N 2.7Å
382	Y	97.9	Very high	97.6	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.031	16%	0.158	C	C	.	.			trans	-96.3	133.1	-176.8	-55	-60.2	0	0	0	111	M181 L188 Q189 L376 A379 N437	M181-Y382 WeakPolarHBondContact CA-OH 3.24Å; M181-Y382 HydrophobicContact CB-CE2 3.9Å; M181-Y382 WeakPolarHBondContact CB-OH 3.4Å; M181-Y382 HydrophobicContact CE-CE2 4.05Å; L188-Y382 HydrophobicContact CB-CD1 4.47Å; L188-Y382 HydrophobicContact CB-CE1 3.86Å; L188-Y382 HydrophobicContact CD2-CD1 4.07Å; L188-Y382 HydrophobicContact CD2-CE1 3.65Å; L188-Y382 HydrophobicContact CG-CD1 3.92Å; L188-Y382 HydrophobicContact CG-CE1 3.67Å; L188-Y382 VanDerWaalsContact O-CE1 3.26Å; L188-Y382 WeakPolarHBondContact O-CE1 3.42Å; Q189-Y382 WeakPolarHBondContact O-CA 3.43Å; L376-Y382 HydrophobicContact CB-CD2 4.49Å; L376-Y382 HydrophobicContact CD2-CD2 4.01Å; L376-Y382 HydrophobicContact CD2-CE2 4.21Å; L376-Y382 WeakPolarHBondContact O-CD2 3.24Å; A379-Y382 HydrophobicContact CB-CD2 3.89Å; A379-Y382 HydrophobicContact CB-CE2 3.65Å; Y382-N437 WeakPolarHBondContact O-CB 3.3Å; Y382-N437 PolarHBondContact O-ND2 3.45Å; Y382-N437 VanDerWaalsContact O-ND2 3.11Å
383	R	98.2	Very high	97.6	Very high	48 Å²	48	28.3 Å²	28.3	18%	0.181	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.1	171	-172.9	175.9	-179.4	122.9	-8.8	109.7	Q189 G190 I191 F465 K468 Q469 Y471	Q189-R383 PolarHBondContact O-N 2.85Å; G190-R383 CarbonylContact C-O 3.59Å; G190-R383 WeakPolarHBondContact CA-O 3.35Å; I191-R383 PolarHBondContact N-O 3.41Å; R383-F465 HydrophobicContact CB-CE2 4.3Å; R383-F465 WeakPolarHBondContact CD-O 3.28Å; R383-F465 HydrophobicContact CG-CD2 4.06Å; R383-F465 HydrophobicContact CG-CE2 3.88Å; R383-F465 PolarHBondContact NE-O 3.23Å; R383-K468 PolarHBondContact NH1-O 3.39Å; R383-Q469 PolarHBondContact NH2-O 2.88Å; R383-Y471 PolarHBondContact NE-OH 2.84Å; R383-Y471 VanDerWaalsContact NH2-CE2 3.32Å; R383-Y471 VanDerWaalsContact NH2-CZ 3.35Å; R383-Y471 PolarHBondContact NH2-OH 2.58Å
384	V	98.8	Very high	97.6	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	131	-178	-174.5	0	0	0	0	109.8	I191 Y373 L377 N437 L438 A439	I191-V384 HydrophobicContact CD1-CG1 4.2Å; I191-V384 HydrophobicContact CG1-CB 4.41Å; I191-V384 HydrophobicContact CG1-CG1 3.85Å; I191-V384 HydrophobicContact CG1-CG2 4.23Å; I191-V384 WeakPolarHBondContact O-CA 3.35Å; Y373-V384 HydrophobicContact CD1-CG1 3.87Å; Y373-V384 HydrophobicContact CE1-CG1 3.53Å; L377-V384 HydrophobicContact CD2-CB 4.29Å; L377-V384 HydrophobicContact CD2-CG2 3.86Å; V384-N437 PolarHBondContact N-O 2.85Å; V384-L438 HydrophobicContact CB-CB 4.47Å; V384-L438 HydrophobicContact CB-CD1 3.82Å; V384-L438 HydrophobicContact CG1-CD1 3.49Å; V384-L438 VanDerWaalsContact CG1-CD1 3.49Å; V384-L438 CarbonylContact O-C 3.55Å; V384-L438 WeakPolarHBondContact O-CA 3.26Å; V384-A439 PolarHBondContact O-N 2.85Å
385	L	98.9	Very high	97.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	127.3	173.7	175.3	64.6	0	0	0	109.8	I191 A192 V193 Y387 A439 L441 M461 F465 Y471	I191-L385 PolarHBondContact O-N 2.99Å; A192-L385 CarbonylContact C-O 3.55Å; A192-L385 VanDerWaalsContact CA-O 3.23Å; A192-L385 WeakPolarHBondContact CA-O 3.39Å; A192-L385 HydrophobicContact CB-CB 3.99Å; A192-L385 HydrophobicContact CB-CD2 4.22Å; A192-L385 HydrophobicContact CB-CG 4.42Å; V193-L385 PolarHBondContact N-O 3.37Å; L385-Y387 HydrophobicContact CD2-CD1 3.92Å; L385-Y387 HydrophobicContact CG-CD1 4.05Å; L385-A439 HydrophobicContact CD1-CB 4.09Å; L385-L441 HydrophobicContact CD1-CB 4.08Å; L385-M461 HydrophobicContact CD2-CG 4.02Å; L385-M461 HydrophobicContact CD2-SD 4.11Å; L385-F465 HydrophobicContact CB-CD2 3.76Å; L385-F465 HydrophobicContact CB-CE2 3.89Å; L385-F465 HydrophobicContact CD2-CB 4.15Å; L385-F465 HydrophobicContact CD2-CD2 4.16Å; L385-F465 HydrophobicContact CD2-CG 4.24Å; L385-Y471 HydrophobicContact CD1-CE1 4.15Å; L385-Y471 HydrophobicContact CD1-CE2 4.42Å; L385-Y471 HydrophobicContact CD2-CE1 4.07Å
386	V	98.9	Very high	97.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.5	162.6	-179	0	0	0	0	106.5	Y373 D400 V404 L438 A439 F440 L441	Y373-V386 HydrophobicContact CE1-CG2 3.96Å; V386-D400 HydrophobicContact CG1-CB 3.86Å; V386-V404 HydrophobicContact CB-CG2 3.93Å; V386-V404 HydrophobicContact CG1-CG2 4.34Å; V386-V404 HydrophobicContact CG2-CG2 3.79Å; V386-L438 HydrophobicContact CG2-CD1 4.43Å; V386-A439 PolarHBondContact N-O 3.13Å; V386-F440 HydrophobicContact CB-CD2 4.31Å; V386-F440 HydrophobicContact CG1-CD2 4.11Å; V386-F440 HydrophobicContact CG1-CE2 4.48Å; V386-F440 CarbonylContact O-C 3.49Å; V386-F440 WeakPolarHBondContact O-CA 3.41Å; V386-L441 PolarHBondContact O-N 2.85Å
387	Y	98.9	Very high	97.7	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.5	178.4	68.8	-91.3	0	0	0	111.9	A192 V193 G194 N195 L385 L441 V450 M461	A192-Y387 HydrophobicContact CB-CE1 4.28Å; V193-Y387 WeakPolarHBondContact O-CD1 3.39Å; V193-Y387 PolarHBondContact O-N 2.76Å; G194-Y387 CarbonylContact C-O 3.51Å; G194-Y387 VanDerWaalsContact CA-O 3.24Å; G194-Y387 WeakPolarHBondContact CA-O 3.44Å; N195-Y387 PolarHBondContact N-O 3.17Å; L385-Y387 HydrophobicContact CD2-CD1 3.92Å; L385-Y387 HydrophobicContact CG-CD1 4.05Å; Y387-L441 CarbonylContact C-O 3.59Å; Y387-L441 WeakPolarHBondContact CA-O 3.36Å; Y387-V450 HydrophobicContact CD2-CB 4.4Å; Y387-V450 HydrophobicContact CD2-CG1 4.37Å; Y387-V450 HydrophobicContact CD2-CG2 4.17Å; Y387-V450 HydrophobicContact CE2-CB 4.01Å; Y387-V450 HydrophobicContact CE2-CG1 4.26Å; Y387-V450 HydrophobicContact CE2-CG2 4.1Å; Y387-M461 HydrophobicContact CD1-CE 3.71Å; Y387-M461 HydrophobicContact CD1-SD 3.99Å; Y387-M461 HydrophobicContact CD2-CE 3.65Å; Y387-M461 HydrophobicContact CD2-SD 3.93Å; Y387-M461 HydrophobicContact CE1-CE 3.81Å; Y387-M461 HydrophobicContact CE2-CE 3.78Å; Y387-M461 HydrophobicContact CG-CE 3.62Å; Y387-M461 HydrophobicContact CG-SD 3.56Å; Y387-M461 VanDerWaalsContact CG-SD 3.56Å
388	N	98.9	Very high	97.8	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	134.4	-178.2	-65.9	70.4	0	0	0	111.2	N195 D390 C395 F397 D400 F440 L441 T442 V443	N195-N388 WeakPolarHBondContact CA-ND2 3.3Å; N195-N388 WeakPolarHBondContact OD1-CA 3.27Å; N388-D390 PolarHBondContact O-N 2.87Å; N388-C395 PolarHBondContact ND2-O 2.92Å; N388-F397 HydrophobicContact CB-CB 3.55Å; N388-D400 PolarHBondContact ND2-OD2 2.8Å; N388-D400 VanDerWaalsContact OD1-CB 3.31Å; N388-D400 WeakPolarHBondContact OD1-CB 3.3Å; N388-D400 PolarHBondContact OD1-OD2 3.28Å; N388-F440 WeakPolarHBondContact OD1-CE2 3.25Å; N388-L441 PolarHBondContact N-O 2.94Å; N388-T442 CarbonylContact O-C 3.16Å; N388-T442 VanDerWaalsContact O-CA 3.25Å; N388-T442 WeakPolarHBondContact O-CA 3.49Å; N388-V443 PolarHBondContact O-N 2.89Å
389	G	98.9	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	129.2	157.6	0	0	0	0	0	110.8	N195 V391 S446 G447	N195-G389 PolarHBondContact ND2-N 2.77Å; N195-G389 PolarHBondContact ND2-O 2.74Å; N195-G389 PolarHBondContact OD1-N 2.92Å; G389-V391 VanDerWaalsContact C-N 3.27Å; G389-V391 PolarHBondContact O-N 3.1Å; G389-S446 CarbonylContact C-O 3.59Å; G389-S446 WeakPolarHBondContact CA-O 3.33Å; G389-G447 WeakPolarHBondContact CA-O 3.48Å
390	D	98.8	Very high	98.1	Very high	32 Å²	32	21.3 Å²	21.3	17%	0.171	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3.8	-171.7	67.2	0.1	0	0	0	115	N388 F397 V443 K444 G445 S446	N388-D390 PolarHBondContact O-N 2.87Å; D390-F397 HydrophobicContact CB-CD1 3.79Å; D390-F397 HydrophobicContact CB-CE1 4.18Å; D390-F397 HydrophobicContact CB-CG 4.16Å; D390-V443 PolarHBondContact N-O 3.29Å; D390-K444 WeakPolarHBondContact OD1-CA 3.39Å; D390-K444 WeakPolarHBondContact OD2-CA 3.5Å; D390-G445 PolarHBondContact OD1-N 3.48Å; D390-S446 PolarHBondContact N-O 2.91Å; D390-S446 VanDerWaalsContact N-O 3.1Å
391	V	98.8	Very high	98.5	Very high	7 Å²	7	16.6 Å²	16.6	4%	0.042	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	8.5	174.6	-46.9	0	0	0	0	113.3	N265 L266 Y267 G389 S446	N265-V391 WeakPolarHBondContact OD1-CG2 3.46Å; L266-V391 PolarHBondContact N-O 2.81Å; Y267-V391 HydrophobicContact CD2-CB 3.74Å; Y267-V391 HydrophobicContact CD2-CG1 3.56Å; Y267-V391 HydrophobicContact CD2-CG2 4.19Å; Y267-V391 HydrophobicContact CE2-CB 3.83Å; Y267-V391 HydrophobicContact CE2-CG1 3.39Å; G389-V391 VanDerWaalsContact C-N 3.27Å; G389-V391 PolarHBondContact O-N 3.1Å; V391-S446 VanDerWaalsContact CG2-C 3.44Å; V391-S446 VanDerWaalsContact CG2-O 3.23Å; V391-S446 WeakPolarHBondContact CG2-O 3.25Å; V391-S446 PolarHBondContact N-O 2.59Å
392	D	98.8	Very high	98.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.069	C	C	.	.			trans	-77.9	137.5	171.9	179.1	30.2	0	0	0	111.5	N195 A394 C395 N396 H448	N195-D392 WeakPolarHBondContact ND2-CB 2.98Å; N195-D392 PolarHBondContact ND2-OD2 3.16Å; D392-A394 WeakPolarHBondContact OD1-CB 3.27Å; D392-A394 PolarHBondContact OD1-N 2.95Å; D392-C395 VanDerWaalsContact OD2-C 3.24Å; D392-C395 WeakPolarHBondContact OD2-CA 3.4Å; D392-C395 PolarHBondContact OD2-N 3.5Å; D392-C395 VanDerWaalsContact OD2-O 3.05Å; D392-N396 WeakPolarHBondContact O-CA 3.49Å; D392-N396 WeakPolarHBondContact O-CB 3.45Å; D392-H448 HydrophobicContact CB-CB 4.43Å; D392-H448 VanDerWaalsContact CG-ND1 3.31Å; D392-H448 IonicContact OD1-CG 3.24Å; D392-H448 IonicContact OD1-ND1 2.86Å; D392-H448 PolarHBondContact OD1-ND1 2.98Å; D392-H448 IonicContact OD2-CE1 3.84Å; D392-H448 IonicContact OD2-CG 3.75Å; D392-H448 IonicContact OD2-ND1 3.8Å; D392-H448 PolarHBondContact OD2-ND1 2.86Å
393	M	98.5	Very high	98.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-107.2	-17.3	173.7	-63.3	-170.9	-63.5	0	0	112.7	L207 F210 L216 V256 L261 I263 L266	L207-M393 HydrophobicContact CD1-CB 3.89Å; L207-M393 HydrophobicContact CD1-CG 4.46Å; L207-M393 WeakPolarHBondContact CD1-O 3.32Å; F210-M393 HydrophobicContact CD1-CG 3.84Å; F210-M393 HydrophobicContact CD1-SD 4.3Å; F210-M393 HydrophobicContact CE1-CG 3.45Å; F210-M393 VanDerWaalsContact CE1-CG 3.45Å; F210-M393 HydrophobicContact CE1-SD 4.04Å; F210-M393 HydrophobicContact CZ-CG 4.21Å; L216-M393 HydrophobicContact CD1-CE 4.45Å; L216-M393 HydrophobicContact CD1-SD 3.53Å; L216-M393 VanDerWaalsContact CD1-SD 3.53Å; V256-M393 HydrophobicContact CG1-CB 4.4Å; V256-M393 HydrophobicContact CG1-CE 4.3Å; V256-M393 HydrophobicContact CG1-SD 4.4Å; L261-M393 HydrophobicContact CB-CE 4.29Å; I263-M393 HydrophobicContact CG1-CB 3.71Å; I263-M393 HydrophobicContact CG1-CE 4.49Å; I263-M393 WeakPolarHBondContact O-CA 3.29Å; I263-M393 WeakPolarHBondContact O-CB 3.45Å; I263-M393 PolarHBondContact O-N 3.48Å; L266-M393 HydrophobicContact CB-CE 4.38Å; L266-M393 HydrophobicContact CB-SD 4.37Å; L266-M393 HydrophobicContact CD1-CE 3.92Å; L266-M393 HydrophobicContact CD1-SD 3.99Å
394	A	97.8	Very high	98.8	Very high	10 Å²	10	12.4 Å²	12.4	8%	0.083	6%	0.059	C	C	.	.	S	Bend	trans	-71.8	-45.5	-179	0	0	0	0	0	111.6	N203 I263 Y264 D392	N203-A394 PolarHBondContact ND2-O 3.4Å; N203-A394 VanDerWaalsContact ND2-O 3.13Å; N203-A394 PolarHBondContact OD1-O 3.45Å; I263-A394 HydrophobicContact CD1-CB 4.29Å; I263-A394 HydrophobicContact CG1-CB 4.18Å; I263-A394 PolarHBondContact O-N 3.02Å; Y264-A394 HydrophobicContact CD1-CB 3.76Å; Y264-A394 HydrophobicContact CE1-CB 3.75Å; D392-A394 WeakPolarHBondContact OD1-CB 3.27Å; D392-A394 PolarHBondContact OD1-N 2.95Å
395	C	98.4	Very high	98.7	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.02	7%	0.074	C	C	.	.	S	Bend	trans	-135.8	70.3	174.8	-65.5	0	0	0	0	109	N195 N203 N388 D392	N195-C395 HydrophobicContact CB-CB 4.22Å; N195-C395 PolarHBondContact ND2-O 2.87Å; N195-C395 WeakPolarHBondContact O-CB 3.41Å; N195-C395 PolarHBondContact O-SG 3.26Å; N203-C395 WeakPolarHBondContact OD1-CA 3.48Å; N388-C395 PolarHBondContact ND2-O 2.92Å; D392-C395 VanDerWaalsContact OD2-C 3.24Å; D392-C395 WeakPolarHBondContact OD2-CA 3.4Å; D392-C395 PolarHBondContact OD2-N 3.5Å; D392-C395 VanDerWaalsContact OD2-O 3.05Å
396	N	98.8	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.079	C	C	.	.			trans	-65.9	149.7	-168.1	77.6	85.1	0	0	0	112.4	S206 L207 F210 D392 L398 G399	S206-N396 WeakPolarHBondContact CB-OD1 3.27Å; S206-N396 PolarHBondContact OG-ND2 2.88Å; S206-N396 PolarHBondContact OG-OD1 3.4Å; L207-N396 PolarHBondContact N-ND2 3.19Å; F210-N396 HydrophobicContact CD2-CB 4.01Å; F210-N396 HydrophobicContact CE2-CB 4.41Å; F210-N396 HydrophobicContact CG-CB 4.48Å; D392-N396 WeakPolarHBondContact O-CA 3.49Å; D392-N396 WeakPolarHBondContact O-CB 3.45Å; N396-L398 PolarHBondContact O-N 3.37Å; N396-L398 VanDerWaalsContact O-N 3.15Å; N396-L398 VanDerWaalsContact OD1-CB 3.31Å; N396-L398 WeakPolarHBondContact OD1-CB 3.31Å; N396-L398 PolarHBondContact OD1-N 3.28Å; N396-L398 VanDerWaalsContact OD1-N 3.11Å; N396-G399 PolarHBondContact O-N 2.83Å; N396-G399 PolarHBondContact OD1-N 3.35Å
397	F	98.9	Very high	98.7	Very high	31 Å²	31	16.5 Å²	16.5	14%	0.136	8%	0.08	C	C	.	.	H	α-helix	trans	-61.1	-27.8	-173.8	82.5	-85.3	0	0	0	114.4	F210 N388 D390 E401 F440 T442	F210-F397 HydrophobicContact CD2-CE1 4.38Å; F210-F397 HydrophobicContact CE2-CD1 4.3Å; F210-F397 HydrophobicContact CE2-CE1 4.15Å; N388-F397 HydrophobicContact CB-CB 3.55Å; D390-F397 HydrophobicContact CB-CD1 3.79Å; D390-F397 HydrophobicContact CB-CE1 4.18Å; D390-F397 HydrophobicContact CB-CG 4.16Å; F397-E401 VanDerWaalsContact O-CB 3.31Å; F397-E401 WeakPolarHBondContact O-CB 3.05Å; F397-E401 PolarHBondContact O-N 3.35Å; F397-F440 HydrophobicContact CB-CZ 4.24Å; F397-F440 HydrophobicContact CD2-CZ 4.4Å; F397-F440 VanDerWaalsContact O-CZ 3.3Å; F397-F440 WeakPolarHBondContact O-CZ 3.42Å; F397-T442 HydrophobicContact CB-CG2 4.16Å; F397-T442 HydrophobicContact CD2-CG2 3.74Å; F397-T442 HydrophobicContact CG-CG2 4.15Å
398	L	98.8	Very high	98.6	Very high	40 Å²	40	23.5 Å²	23.5	21%	0.209	11%	0.112	C	C	.	.	H	α-helix	trans	-68.1	-41.5	-179.6	-66.6	168.6	0	0	0	110.5	N396 E401 W402	N396-L398 PolarHBondContact O-N 3.37Å; N396-L398 VanDerWaalsContact O-N 3.15Å; N396-L398 VanDerWaalsContact OD1-CB 3.31Å; N396-L398 WeakPolarHBondContact OD1-CB 3.31Å; N396-L398 PolarHBondContact OD1-N 3.28Å; N396-L398 VanDerWaalsContact OD1-N 3.11Å; L398-E401 PolarHBondContact O-N 3.44Å; L398-W402 WeakPolarHBondContact O-CB 3.43Å; L398-W402 PolarHBondContact O-N 3.02Å
399	G	98.8	Very high	98.5	Very high	3 Å²	3	25.8 Å²	25.8	3%	0.031	12%	0.123	C	C	.	.	H	α-helix	trans	-60.4	-46.4	178	0	0	0	0	0	112.4	S206 N396 W402 F403	S206-G399 WeakPolarHBondContact OG-CA 3.25Å; S206-G399 PolarHBondContact OG-N 2.75Å; N396-G399 PolarHBondContact O-N 2.83Å; N396-G399 PolarHBondContact OD1-N 3.35Å; G399-W402 PolarHBondContact O-N 3.25Å; G399-F403 WeakPolarHBondContact O-CB 3.42Å; G399-F403 PolarHBondContact O-N 3.49Å
400	D	98.9	Very high	98.4	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.027	15%	0.154	C	C	.	.	H	α-helix	trans	-72.8	-33.4	177.3	-87.3	-36.1	0	0	0	113.1	G196 S198 V386 N388 F403 V404 F440	G196-D400 PolarHBondContact N-OD2 2.83Å; S198-D400 WeakPolarHBondContact CB-OD1 3.44Å; S198-D400 PolarHBondContact OG-OD1 2.85Å; V386-D400 HydrophobicContact CG1-CB 3.86Å; N388-D400 PolarHBondContact ND2-OD2 2.8Å; N388-D400 VanDerWaalsContact OD1-CB 3.31Å; N388-D400 WeakPolarHBondContact OD1-CB 3.3Å; N388-D400 PolarHBondContact OD1-OD2 3.28Å; D400-F403 PolarHBondContact O-N 3.2Å; D400-V404 WeakPolarHBondContact O-CG2 3.41Å; D400-V404 PolarHBondContact O-N 3.5Å; D400-F440 HydrophobicContact CB-CE2 4Å
401	E	98.9	Very high	98.3	Very high	24 Å²	24	33.7 Å²	33.7	11%	0.112	16%	0.163	C	C	.	.	H	α-helix	trans	-61.3	-46.8	170.9	-165.8	160.9	-164.2	0	0	109.7	F397 L398 F403 V404 E405 R415 F440	F397-E401 VanDerWaalsContact O-CB 3.31Å; F397-E401 WeakPolarHBondContact O-CB 3.05Å; F397-E401 PolarHBondContact O-N 3.35Å; L398-E401 PolarHBondContact O-N 3.44Å; E401-F403 VanDerWaalsContact C-N 3.33Å; E401-F403 PolarHBondContact O-N 2.79Å; E401-V404 PolarHBondContact O-N 3.49Å; E401-E405 WeakPolarHBondContact O-CG 2.96Å; E401-E405 PolarHBondContact O-N 3.11Å; E401-R415 IonicContact OE1-CZ 3.89Å; E401-R415 IonicContact OE1-NE 3.07Å; E401-R415 PolarHBondContact OE1-NE 3.47Å; E401-R415 IonicContact OE1-NH2 3.84Å; E401-R415 IonicContact OE2-NH2 3.67Å; E401-F440 HydrophobicContact CB-CD1 3.94Å; E401-F440 HydrophobicContact CB-CD2 4.44Å; E401-F440 HydrophobicContact CB-CE1 3.47Å; E401-F440 VanDerWaalsContact CB-CE1 3.47Å; E401-F440 HydrophobicContact CB-CE2 4.02Å; E401-F440 HydrophobicContact CB-CG 4.41Å; E401-F440 HydrophobicContact CB-CZ 3.52Å; E401-F440 VanDerWaalsContact CD-CE1 3.43Å; E401-F440 HydrophobicContact CG-CD1 3.64Å; E401-F440 HydrophobicContact CG-CE1 3.5Å; E401-F440 VanDerWaalsContact CG-CE1 3.5Å; E401-F440 HydrophobicContact CG-CG 4.36Å; E401-F440 HydrophobicContact CG-CZ 4.11Å
402	W	98.8	Very high	98.2	Very high	99 Å²	99	38.6 Å²	38.6	38%	0.375	19%	0.185	S	C	.	.	H	α-helix	trans	-61.7	-40.6	176.1	-65.7	-3.3	0	0	0	112.2	M202 N205 Y209 L398 G399 E405 S406	M202-W402 HydrophobicContact SD-CB 4.26Å; N205-W402 HydrophobicContact CB-CZ3 4.09Å; Y209-W402 AromaticContact CD2-CH2 3.8Å; Y209-W402 HydrophobicContact CD2-CH2 3.8Å; Y209-W402 HydrophobicContact CE2-CH2 4.12Å; L398-W402 WeakPolarHBondContact O-CB 3.43Å; L398-W402 PolarHBondContact O-N 3.02Å; G399-W402 PolarHBondContact O-N 3.25Å; W402-E405 PolarHBondContact O-N 2.94Å; W402-S406 WeakPolarHBondContact O-CB 3.38Å; W402-S406 PolarHBondContact O-N 3.41Å
403	F	98.9	Very high	98.2	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.009	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-52	175.5	174.4	-98.7	0	0	0	111.3	M202 V369 R370 Y373 G399 D400 E401 E405 S406 L407	M202-F403 WeakPolarHBondContact SD-CA 3.27Å; M202-F403 HydrophobicContact SD-CB 3.81Å; M202-F403 HydrophobicContact SD-CD2 4.34Å; M202-F403 PolarHBondContact SD-N 3.43Å; M202-F403 VanDerWaalsContact SD-N 3.45Å; V369-F403 HydrophobicContact CG2-CE2 4.41Å; V369-F403 HydrophobicContact CG2-CZ 4.01Å; R370-F403 HydrophobicContact CB-CE2 4.1Å; Y373-F403 HydrophobicContact CD1-CE1 4.34Å; Y373-F403 AromaticContact CD2-CE1 3.52Å; Y373-F403 HydrophobicContact CD2-CE1 3.52Å; Y373-F403 AromaticContact CD2-CZ 3.45Å; Y373-F403 HydrophobicContact CD2-CZ 3.45Å; Y373-F403 VanDerWaalsContact CD2-CZ 3.45Å; Y373-F403 HydrophobicContact CE1-CE1 4.43Å; Y373-F403 AromaticContact CE2-CE1 3.6Å; Y373-F403 HydrophobicContact CE2-CE1 3.6Å; Y373-F403 AromaticContact CE2-CZ 3.85Å; Y373-F403 HydrophobicContact CE2-CZ 3.85Å; Y373-F403 AromaticContact CG-CE1 3.9Å; Y373-F403 HydrophobicContact CG-CE1 3.9Å; Y373-F403 HydrophobicContact CG-CZ 4Å; G399-F403 WeakPolarHBondContact O-CB 3.42Å; G399-F403 PolarHBondContact O-N 3.49Å; D400-F403 PolarHBondContact O-N 3.2Å; E401-F403 VanDerWaalsContact C-N 3.33Å; E401-F403 PolarHBondContact O-N 2.79Å; F403-E405 VanDerWaalsContact C-N 3.35Å; F403-E405 PolarHBondContact O-N 3.06Å; F403-S406 WeakPolarHBondContact O-CB 3.27Å; F403-S406 PolarHBondContact O-N 3.47Å; F403-S406 VanDerWaalsContact O-N 3.12Å; F403-S406 PolarHBondContact O-OG 2.63Å; F403-L407 HydrophobicContact CE1-CD1 4.19Å; F403-L407 HydrophobicContact CE1-CD2 4.42Å; F403-L407 HydrophobicContact CE2-CD2 4.49Å; F403-L407 HydrophobicContact CZ-CD2 4.13Å; F403-L407 PolarHBondContact O-N 2.84Å
404	V	98.8	Very high	98.1	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-43.7	178.8	164.1	0	0	0	0	111.6	V386 D400 E401 S406 L407 F435 L438 F440	V386-V404 HydrophobicContact CB-CG2 3.93Å; V386-V404 HydrophobicContact CG1-CG2 4.34Å; V386-V404 HydrophobicContact CG2-CG2 3.79Å; D400-V404 WeakPolarHBondContact O-CG2 3.41Å; D400-V404 PolarHBondContact O-N 3.5Å; E401-V404 PolarHBondContact O-N 3.49Å; V404-S406 VanDerWaalsContact C-N 3.28Å; V404-S406 PolarHBondContact O-N 3.14Å; V404-L407 WeakPolarHBondContact O-CB 3.25Å; V404-L407 PolarHBondContact O-N 3.37Å; V404-L407 VanDerWaalsContact O-N 3.12Å; V404-F435 HydrophobicContact CG1-CD2 4.02Å; V404-F435 HydrophobicContact CG1-CE2 3.42Å; V404-F435 VanDerWaalsContact CG1-CE2 3.42Å; V404-F435 HydrophobicContact CG1-CZ 3.94Å; V404-L438 HydrophobicContact CG1-CD2 3.74Å; V404-L438 HydrophobicContact CG1-CG 4.2Å; V404-L438 HydrophobicContact CG2-CD1 4.49Å; V404-F440 HydrophobicContact CB-CB 4.23Å; V404-F440 HydrophobicContact CG1-CB 3.94Å; V404-F440 HydrophobicContact CG2-CB 4.22Å; V404-F440 HydrophobicContact CG2-CD2 4.37Å
405	E	98.4	Very high	98.2	Very high	69 Å²	69	54.2 Å²	54.2	32%	0.322	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-34.9	177.2	-65.3	-79.6	-164.6	0	0	112.2	E401 W402 F403 L407 H408 K433	E401-E405 WeakPolarHBondContact O-CG 2.96Å; E401-E405 PolarHBondContact O-N 3.11Å; W402-E405 PolarHBondContact O-N 2.94Å; F403-E405 VanDerWaalsContact C-N 3.35Å; F403-E405 PolarHBondContact O-N 3.06Å; E405-L407 PolarHBondContact O-N 2.88Å; E405-H408 PolarHBondContact O-N 2.99Å; E405-H408 VanDerWaalsContact O-N 3.11Å; E405-H408 PolarHBondContact O-ND1 2.93Å; E405-K433 WeakPolarHBondContact OE1-CD 3.39Å; E405-K433 WeakPolarHBondContact OE1-CE 3.42Å; E405-K433 IonicContact OE1-NZ 2.55Å; E405-K433 PolarHBondContact OE1-NZ 2.84Å; E405-K433 IonicContact OE2-NZ 2.72Å; E405-K433 PolarHBondContact OE2-NZ 3.37Å
406	S	98.3	Very high	98.2	Very high	16 Å²	16	57.6 Å²	57.6	11%	0.112	27%	0.265	C	S	.	.	H	α-helix	trans	-66.3	-17.3	176.9	86.9	0	0	0	0	113.1	R370 W402 F403 V404 H408	R370-S406 VanDerWaalsContact CZ-O 3.29Å; R370-S406 PolarHBondContact NE-O 3.46Å; R370-S406 PolarHBondContact NH2-O 2.95Å; W402-S406 WeakPolarHBondContact O-CB 3.38Å; W402-S406 PolarHBondContact O-N 3.41Å; F403-S406 WeakPolarHBondContact O-CB 3.27Å; F403-S406 PolarHBondContact O-N 3.47Å; F403-S406 VanDerWaalsContact O-N 3.12Å; F403-S406 PolarHBondContact O-OG 2.63Å; V404-S406 VanDerWaalsContact C-N 3.28Å; V404-S406 PolarHBondContact O-N 3.14Å; S406-H408 PolarHBondContact O-CD2 2.96Å; S406-H408 PolarHBondContact O-N 3.4Å; S406-H408 PolarHBondContact O-NE2 3.44Å
407	L	98.3	Very high	98.2	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-12.4	174.9	-55.2	-177.7	0	0	0	112.4	R370 Y373 L374 L377 F403 V404 E405 Q409 L438	R370-L407 HydrophobicContact CB-CD2 4.46Å; R370-L407 HydrophobicContact CG-CD2 3.76Å; Y373-L407 HydrophobicContact CD1-CD1 4.23Å; Y373-L407 HydrophobicContact CG-CD1 4.25Å; L374-L407 HydrophobicContact CD2-CB 4.35Å; L374-L407 HydrophobicContact CD2-CD2 4.37Å; L374-L407 HydrophobicContact CG-CD2 4.33Å; L377-L407 HydrophobicContact CD1-CD1 3.86Å; F403-L407 HydrophobicContact CE1-CD1 4.19Å; F403-L407 HydrophobicContact CE1-CD2 4.42Å; F403-L407 HydrophobicContact CE2-CD2 4.49Å; F403-L407 HydrophobicContact CZ-CD2 4.13Å; F403-L407 PolarHBondContact O-N 2.84Å; V404-L407 WeakPolarHBondContact O-CB 3.25Å; V404-L407 PolarHBondContact O-N 3.37Å; V404-L407 VanDerWaalsContact O-N 3.12Å; E405-L407 PolarHBondContact O-N 2.88Å; L407-Q409 HydrophobicContact CB-CG 4.11Å; L407-Q409 PolarHBondContact O-N 3.24Å; L407-Q409 PolarHBondContact O-NE2 3.35Å; L407-L438 HydrophobicContact CD1-CD2 3.77Å
408	H	97.1	Very high	98.2	Very high	148 Å²	148	59 Å²	59	69%	0.685	28%	0.277	S	S	*	.			trans	52.5	37.3	176	-54.7	-47.8	0	0	0	113.9	R370 E405 S406	R370-H408 PolarHBondContact NH2-CD2 2.62Å; E405-H408 PolarHBondContact O-N 2.99Å; E405-H408 VanDerWaalsContact O-N 3.11Å; E405-H408 PolarHBondContact O-ND1 2.93Å; S406-H408 PolarHBondContact O-CD2 2.96Å; S406-H408 PolarHBondContact O-N 3.4Å; S406-H408 PolarHBondContact O-NE2 3.44Å
409	Q	96.7	Very high	98.1	Very high	47 Å²	47	60.3 Å²	60.3	22%	0.22	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-75.6	157.4	173.8	-58.3	-54.6	-66.8	0	0	110.8	L377 L407 V411 F435 L438	L377-Q409 HydrophobicContact CD1-CG 3.85Å; L407-Q409 HydrophobicContact CB-CG 4.11Å; L407-Q409 PolarHBondContact O-N 3.24Å; L407-Q409 PolarHBondContact O-NE2 3.35Å; Q409-V411 PolarHBondContact O-N 3Å; Q409-F435 HydrophobicContact CB-CB 3.83Å; Q409-F435 HydrophobicContact CB-CD1 3.97Å; Q409-F435 HydrophobicContact CB-CG 4.19Å; Q409-F435 WeakPolarHBondContact O-CD1 3.35Å; Q409-L438 HydrophobicContact CG-CD2 4.26Å
410	E	96	Very high	98.1	Very high	138 Å²	138	62 Å²	62	65%	0.645	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-68.8	126.9	177.2	-174	-178	-176.1	0	0	110.8	Q412 F435 S436	E410-Q412 VanDerWaalsContact CD-NE2 3.32Å; E410-Q412 PolarHBondContact O-N 2.89Å; E410-Q412 PolarHBondContact OE2-NE2 3.49Å; E410-F435 CarbonylContact O-C 3.57Å; E410-F435 WeakPolarHBondContact O-CA 3.32Å; E410-F435 WeakPolarHBondContact O-CB 3.28Å; E410-S436 PolarHBondContact O-N 3.16Å
411	V	97.6	Very high	97.9	Very high	61 Å²	61	67.9 Å²	67.9	37%	0.37	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	116.2	176.3	-179.5	0	0	0	0	109.5	Q409 F435	Q409-V411 PolarHBondContact O-N 3Å; V411-F435 HydrophobicContact CG2-CD1 3.85Å; V411-F435 HydrophobicContact CG2-CE1 3.64Å
412	Q	97.3	Very high	97.5	Very high	109 Å²	109	69 Å²	69	51%	0.509	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-37.2	176.9	-66.4	-62.8	-34.3	0	0	111.3	E410 E434	E410-Q412 VanDerWaalsContact CD-NE2 3.32Å; E410-Q412 PolarHBondContact O-N 2.89Å; E410-Q412 PolarHBondContact OE2-NE2 3.49Å; Q412-E434 PolarHBondContact N-O 3.36Å
413	V	97.7	Very high	97	Very high	49 Å²	49	66.8 Å²	66.8	30%	0.297	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	120.9	177.6	-170.6	0	0	0	0	109.3	R416 E434	V413-R416 HydrophobicContact CG1-CG 4.47Å; V413-E434 HydrophobicContact CB-CB 3.83Å; V413-E434 HydrophobicContact CB-CG 4.14Å; V413-E434 HydrophobicContact CG2-CB 4Å; V413-E434 HydrophobicContact CG2-CG 4.39Å; V413-E434 PolarHBondContact N-O 3.4Å; V413-E434 PolarHBondContact O-N 3.23Å
414	K	97.8	Very high	96.6	Very high	179 Å²	179	75 Å²	75	78%	0.778	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	150.8	174.2	-68.8	-178.1	-179.8	179.3	0	110.3	R416	K414-R416 PolarHBondContact O-N 2.88Å
415	R	98.6	Very high	96.4	Very high	111 Å²	111	77.1 Å²	77.1	42%	0.419	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	124.5	178.7	-165.4	175.6	-164.1	-93.7	5	110.7	E401 F431 V432 K433	E401-R415 IonicContact OE1-CZ 3.89Å; E401-R415 IonicContact OE1-NE 3.07Å; E401-R415 PolarHBondContact OE1-NE 3.47Å; E401-R415 IonicContact OE1-NH2 3.84Å; E401-R415 IonicContact OE2-NH2 3.67Å; R415-F431 HydrophobicContact CG-CB 4.33Å; R415-V432 VanDerWaalsContact CA-O 3.31Å; R415-V432 WeakPolarHBondContact CA-O 3.35Å; R415-K433 HydrophobicContact CB-CB 4.43Å
416	R	98.6	Very high	96.3	Very high	73 Å²	73	80 Å²	80	28%	0.275	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	157.5	-178	62.9	175.5	178.4	84.3	0.3	110.4	V413 K414 F431 V432 E434 Y471	V413-R416 HydrophobicContact CG1-CG 4.47Å; K414-R416 PolarHBondContact O-N 2.88Å; R416-F431 CarbonylContact O-C 3.38Å; R416-F431 WeakPolarHBondContact O-CA 3.37Å; R416-V432 HydrophobicContact CG-CG1 3.84Å; R416-V432 PolarHBondContact N-O 3.4Å; R416-V432 PolarHBondContact O-N 3.33Å; R416-E434 IonicContact CZ-OE2 3.68Å; R416-E434 IonicContact NE-OE2 3.67Å; R416-E434 IonicContact NH2-OE2 2.87Å; R416-E434 PolarHBondContact NH2-OE2 3.02Å; R416-Y471 VanDerWaalsContact CZ-O 3.26Å; R416-Y471 PolarHBondContact NH1-O 2.97Å; R416-Y471 PolarHBondContact NH2-O 3.49Å
417	P	98.6	Very high	96.3	Very high	62 Å²	62	83.9 Å²	83.9	40%	0.403	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	146	167.8	29.2	-34.5	0	0	0	110.3	V428 G430 F431	P417-V428 HydrophobicContact CB-CG1 3.91Å; P417-V428 HydrophobicContact CB-CG2 4.32Å; P417-G430 VanDerWaalsContact CA-O 3.26Å; P417-G430 WeakPolarHBondContact CA-O 3.43Å; P417-F431 HydrophobicContact CB-CE1 4.4Å
418	W	98.6	Very high	96.3	Very high	0 Å²	0	86.2 Å²	86.2	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.1	165.3	70.4	-86.1	0	0	0	109.6	G429 G430 V432 L441 T442 V443 A457 T460 M461 Y471	W418-G429 VanDerWaalsContact CZ2-C 3.5Å; W418-G429 WeakPolarHBondContact CZ2-O 3.2Å; W418-G429 PolarHBondContact O-N 3.42Å; W418-G430 VanDerWaalsContact CD1-O 3.29Å; W418-G430 PolarHBondContact N-O 2.91Å; W418-V432 HydrophobicContact CB-CG1 4.06Å; W418-L441 HydrophobicContact CD2-CD1 4.17Å; W418-L441 HydrophobicContact CG-CD1 4.12Å; W418-L441 HydrophobicContact CZ2-CD2 3.82Å; W418-T442 PolarHBondContact NE1-O 2.75Å; W418-V443 HydrophobicContact CZ2-CG1 4.46Å; W418-V443 HydrophobicContact CZ2-CG2 4.22Å; W418-A457 HydrophobicContact CH2-CB 3.83Å; W418-T460 HydrophobicContact CZ3-CG2 4.47Å; W418-M461 HydrophobicContact CH2-CB 4.26Å; W418-Y471 WeakPolarHBondContact CB-OXT 3.23Å
419	L	98.3	Very high	96.3	Very high	66 Å²	66	79.3 Å²	79.3	35%	0.346	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	141.6	-172.1	-57.7	-179.4	0	0	0	111	Q427 V428 R464	L419-Q427 WeakPolarHBondContact CA-O 3.34Å; L419-V428 HydrophobicContact CD2-CB 4.44Å; L419-V428 HydrophobicContact CD2-CG2 3.83Å; L419-R464 PolarHBondContact O-NH1 2.87Å; L419-R464 PolarHBondContact O-NH2 3.33Å
420	Y	97.4	Very high	96.4	Very high	38 Å²	38	77.1 Å²	77.1	15%	0.149	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.6	169.6	76.3	-71.9	0	0	0	110	T422 Q426 Q427 I456 A457	Y420-T422 HydrophobicContact CD2-CG2 4.48Å; Y420-T422 HydrophobicContact CE2-CG2 3.76Å; Y420-Q426 WeakPolarHBondContact O-CA 3.3Å; Y420-Q427 HydrophobicContact CD1-CB 4.48Å; Y420-Q427 WeakPolarHBondContact CD1-O 3.31Å; Y420-Q427 HydrophobicContact CE1-CB 3.91Å; Y420-Q427 PolarHBondContact N-O 3.22Å; Y420-Q427 PolarHBondContact O-N 2.62Å; Y420-I456 HydrophobicContact CD2-CB 4.32Å; Y420-I456 HydrophobicContact CD2-CG2 3.87Å; Y420-I456 HydrophobicContact CE2-CB 4.13Å; Y420-I456 HydrophobicContact CE2-CG2 4.07Å; Y420-A457 HydrophobicContact CD1-CB 4.28Å; Y420-A457 HydrophobicContact CD2-CB 4.18Å; Y420-A457 HydrophobicContact CE1-CB 4.24Å; Y420-A457 HydrophobicContact CE2-CB 4.13Å; Y420-A457 HydrophobicContact CG-CB 4.24Å
421	Y	95.2	Very high	96.6	Very high	130 Å²	130	74.1 Å²	74.1	51%	0.51	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.1	-179.4	-171.9	-107.9	0	0	0	109.8	G423 E424 S425 Q426	Y421-G423 VanDerWaalsContact C-N 3.35Å; Y421-G423 VanDerWaalsContact CD1-N 3.27Å; Y421-G423 VanDerWaalsContact CE1-O 3.26Å; Y421-G423 WeakPolarHBondContact CE1-O 3.48Å; Y421-G423 VanDerWaalsContact CZ-O 3.26Å; Y421-G423 VanDerWaalsContact OH-C 3.3Å; Y421-G423 PolarHBondContact OH-O 3.16Å; Y421-E424 PolarHBondContact OH-O 3.38Å; Y421-S425 WeakPolarHBondContact CD2-O 3.47Å; Y421-Q426 HydrophobicContact CD2-CG 4.28Å
422	T	90.7	Very high	96.6	Very high	48 Å²	48	71.3 Å²	71.3	29%	0.294	35%	0.352	S	S	.	.			trans	-88.5	-0.4	-177.7	59.3	0	0	0	0	113.9	Y420 E424 S425 Q427	Y420-T422 HydrophobicContact CD2-CG2 4.48Å; Y420-T422 HydrophobicContact CE2-CG2 3.76Å; T422-E424 PolarHBondContact OG1-N 3.47Å; T422-S425 PolarHBondContact N-O 3.31Å; T422-S425 PolarHBondContact OG1-N 3.22Å; T422-S425 PolarHBondContact OG1-O 3.22Å; T422-Q427 HydrophobicContact CG2-CB 4.18Å; T422-Q427 HydrophobicContact CG2-CG 3.71Å
423	G	88.9	Confident	96.7	Very high	51 Å²	51	67.5 Å²	67.5	53%	0.526	33%	0.334	S	S	.	.	S	Bend	trans	100.8	-27.2	-165.9	0	0	0	0	0	112.6	Y421	Y421-G423 VanDerWaalsContact C-N 3.35Å; Y421-G423 VanDerWaalsContact CD1-N 3.27Å; Y421-G423 VanDerWaalsContact CE1-O 3.26Å; Y421-G423 WeakPolarHBondContact CE1-O 3.48Å; Y421-G423 VanDerWaalsContact CZ-O 3.26Å; Y421-G423 VanDerWaalsContact OH-C 3.3Å; Y421-G423 PolarHBondContact OH-O 3.16Å
424	E	89.7	Confident	96.7	Very high	175 Å²	175	66.6 Å²	66.6	82%	0.818	33%	0.327	S	S	*	.	S	Bend	trans	-115.1	-46.4	-177.6	-61.7	179.4	175.7	0	0	112.6	Y421 T422	Y421-E424 PolarHBondContact OH-O 3.38Å; T422-E424 PolarHBondContact OG1-N 3.47Å
425	S	94.9	Very high	96.7	Very high	46 Å²	46	58.5 Å²	58.5	32%	0.322	29%	0.292	S	S	.	.	S	Bend	trans	-145.6	166.2	-177.3	86.1	0	0	0	0	111.7	Y421 T422 Q427	Y421-S425 WeakPolarHBondContact CD2-O 3.47Å; T422-S425 PolarHBondContact N-O 3.31Å; T422-S425 PolarHBondContact OG1-N 3.22Å; T422-S425 PolarHBondContact OG1-O 3.22Å; S425-Q427 PolarHBondContact OG-NE2 3.17Å
426	Q	96.6	Very high	96.4	Very high	130 Å²	130	55 Å²	55	61%	0.607	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.1	141.7	163.5	-70.8	-172.5	-34.8	0	0	110	Y420 Y421	Y420-Q426 WeakPolarHBondContact O-CA 3.3Å; Y421-Q426 HydrophobicContact CD2-CG 4.28Å
427	Q	97.6	Very high	96.1	Very high	96 Å²	96	53.5 Å²	53.5	45%	0.449	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153	175.2	-68	-63	-30.4	0	0	109.7	L419 Y420 T422 S425 G429	L419-Q427 WeakPolarHBondContact CA-O 3.34Å; Y420-Q427 HydrophobicContact CD1-CB 4.48Å; Y420-Q427 WeakPolarHBondContact CD1-O 3.31Å; Y420-Q427 HydrophobicContact CE1-CB 3.91Å; Y420-Q427 PolarHBondContact N-O 3.22Å; Y420-Q427 PolarHBondContact O-N 2.62Å; T422-Q427 HydrophobicContact CG2-CB 4.18Å; T422-Q427 HydrophobicContact CG2-CG 3.71Å; S425-Q427 PolarHBondContact OG-NE2 3.17Å; Q427-G429 PolarHBondContact O-N 3.42Å
428	V	98.4	Very high	96.1	Very high	54 Å²	54	50.8 Å²	50.8	33%	0.327	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	115.4	172	177.9	0	0	0	0	108.6	P417 L419 G430 K444	P417-V428 HydrophobicContact CB-CG1 3.91Å; P417-V428 HydrophobicContact CB-CG2 4.32Å; L419-V428 HydrophobicContact CD2-CB 4.44Å; L419-V428 HydrophobicContact CD2-CG2 3.83Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 WeakPolarHBondContact CG1-O 3.13Å; V428-K444 VanDerWaalsContact O-CE 3.28Å; V428-K444 WeakPolarHBondContact O-CE 3.38Å
429	G	97.9	Very high	96.1	Very high	3 Å²	3	51 Å²	51	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	-21.3	175	0	0	0	0	0	112.9	W418 Q427 V443 K444	W418-G429 VanDerWaalsContact CZ2-C 3.5Å; W418-G429 WeakPolarHBondContact CZ2-O 3.2Å; W418-G429 PolarHBondContact O-N 3.42Å; Q427-G429 PolarHBondContact O-N 3.42Å; G429-V443 CarbonylContact O-C 3.56Å; G429-V443 WeakPolarHBondContact O-CA 3.31Å; G429-K444 PolarHBondContact O-N 3.3Å
430	G	98.8	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.4	-151	-179.8	0	0	0	0	0	109.9	P417 W418 V428 T442	P417-G430 VanDerWaalsContact CA-O 3.26Å; P417-G430 WeakPolarHBondContact CA-O 3.43Å; W418-G430 VanDerWaalsContact CD1-O 3.29Å; W418-G430 PolarHBondContact N-O 2.91Å; V428-G430 VanDerWaalsContact C-N 3.33Å; V428-G430 WeakPolarHBondContact CG1-O 3.13Å; G430-T442 WeakPolarHBondContact CA-O 3.39Å
431	F	98.9	Very high	96.2	Very high	76 Å²	76	46.2 Å²	46.2	33%	0.333	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.1	179.8	-68.4	-94.5	0	0	0	111.1	R415 R416 P417 L441 T442	R415-F431 HydrophobicContact CG-CB 4.33Å; R416-F431 CarbonylContact O-C 3.38Å; R416-F431 WeakPolarHBondContact O-CA 3.37Å; P417-F431 HydrophobicContact CB-CE1 4.4Å; F431-L441 CarbonylContact O-C 3.5Å; F431-L441 VanDerWaalsContact O-CA 3.3Å; F431-L441 WeakPolarHBondContact O-CA 3.47Å; F431-T442 PolarHBondContact N-OG1 2.83Å; F431-T442 PolarHBondContact O-N 2.51Å
432	V	98.9	Very high	96.4	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.2	175.9	64.2	0	0	0	0	109.9	R415 R416 W418 E434 A439 F440 L441 Y471	R415-V432 VanDerWaalsContact CA-O 3.31Å; R415-V432 WeakPolarHBondContact CA-O 3.35Å; R416-V432 HydrophobicContact CG-CG1 3.84Å; R416-V432 PolarHBondContact N-O 3.4Å; R416-V432 PolarHBondContact O-N 3.33Å; W418-V432 HydrophobicContact CB-CG1 4.06Å; V432-E434 HydrophobicContact CG2-CG 3.79Å; V432-A439 HydrophobicContact CG2-CB 4.4Å; V432-F440 CarbonylContact C-O 3.57Å; V432-F440 WeakPolarHBondContact CA-O 3.38Å; V432-F440 WeakPolarHBondContact CG2-O 3.4Å; V432-L441 HydrophobicContact CB-CB 4.47Å; V432-L441 HydrophobicContact CB-CD1 4.14Å; V432-L441 HydrophobicContact CB-CG 4.3Å; V432-L441 HydrophobicContact CG2-CB 4.26Å; V432-L441 HydrophobicContact CG2-CD1 4.11Å; V432-L441 HydrophobicContact CG2-CG 4.46Å; V432-Y471 HydrophobicContact CG2-CD2 3.98Å; V432-Y471 HydrophobicContact CG2-CG 4.2Å
433	K	98.6	Very high	96.7	Very high	30 Å²	30	37.9 Å²	37.9	13%	0.13	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.3	167.2	-172.1	-179.1	-178.7	-173.6	0	108.1	E405 R415 F435 A439 F440	E405-K433 WeakPolarHBondContact OE1-CD 3.39Å; E405-K433 WeakPolarHBondContact OE1-CE 3.42Å; E405-K433 IonicContact OE1-NZ 2.55Å; E405-K433 PolarHBondContact OE1-NZ 2.84Å; E405-K433 IonicContact OE2-NZ 2.72Å; E405-K433 PolarHBondContact OE2-NZ 3.37Å; R415-K433 HydrophobicContact CB-CB 4.43Å; K433-F435 HydrophobicContact CB-CE2 4.34Å; K433-F435 HydrophobicContact CD-CE1 4.45Å; K433-F435 HydrophobicContact CD-CE2 3.88Å; K433-F435 HydrophobicContact CD-CZ 3.6Å; K433-F435 HydrophobicContact CG-CE2 3.87Å; K433-F435 HydrophobicContact CG-CZ 4.06Å; K433-A439 WeakPolarHBondContact O-CA 3.16Å; K433-F440 PolarHBondContact N-O 2.86Å; K433-F440 PolarHBondContact O-N 2.83Å
434	E	98.4	Very high	97.2	Very high	29 Å²	29	40.4 Å²	40.4	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.6	-174.2	-48	175.3	83.7	0	0	109.9	Q412 V413 R416 V432 A439	Q412-E434 PolarHBondContact N-O 3.36Å; V413-E434 HydrophobicContact CB-CB 3.83Å; V413-E434 HydrophobicContact CB-CG 4.14Å; V413-E434 HydrophobicContact CG2-CB 4Å; V413-E434 HydrophobicContact CG2-CG 4.39Å; V413-E434 PolarHBondContact N-O 3.4Å; V413-E434 PolarHBondContact O-N 3.23Å; R416-E434 IonicContact CZ-OE2 3.68Å; R416-E434 IonicContact NE-OE2 3.67Å; R416-E434 IonicContact NH2-OE2 2.87Å; R416-E434 PolarHBondContact NH2-OE2 3.02Å; V432-E434 HydrophobicContact CG2-CG 3.79Å; E434-A439 HydrophobicContact CG-CB 4.27Å
435	F	97.4	Very high	97.6	Very high	10 Å²	10	33.4 Å²	33.4	4%	0.044	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-176.9	178	-57.4	-99.9	0	0	0	109.3	V404 Q409 E410 V411 K433 N437 L438	V404-F435 HydrophobicContact CG1-CD2 4.02Å; V404-F435 HydrophobicContact CG1-CE2 3.42Å; V404-F435 VanDerWaalsContact CG1-CE2 3.42Å; V404-F435 HydrophobicContact CG1-CZ 3.94Å; Q409-F435 HydrophobicContact CB-CB 3.83Å; Q409-F435 HydrophobicContact CB-CD1 3.97Å; Q409-F435 HydrophobicContact CB-CG 4.19Å; Q409-F435 WeakPolarHBondContact O-CD1 3.35Å; E410-F435 CarbonylContact O-C 3.57Å; E410-F435 WeakPolarHBondContact O-CA 3.32Å; E410-F435 WeakPolarHBondContact O-CB 3.28Å; V411-F435 HydrophobicContact CG2-CD1 3.85Å; V411-F435 HydrophobicContact CG2-CE1 3.64Å; K433-F435 HydrophobicContact CB-CE2 4.34Å; K433-F435 HydrophobicContact CD-CE1 4.45Å; K433-F435 HydrophobicContact CD-CE2 3.88Å; K433-F435 HydrophobicContact CD-CZ 3.6Å; K433-F435 HydrophobicContact CG-CE2 3.87Å; K433-F435 HydrophobicContact CG-CZ 4.06Å; F435-N437 PolarHBondContact O-N 3.27Å; F435-L438 WeakPolarHBondContact CA-O 3.47Å; F435-L438 HydrophobicContact CB-CB 4.22Å; F435-L438 HydrophobicContact CD2-CD2 4.48Å; F435-L438 HydrophobicContact CD2-CG 4.39Å; F435-L438 PolarHBondContact N-O 2.91Å
436	S	90.9	Very high	97.8	Very high	38 Å²	38	31.2 Å²	31.2	27%	0.266	16%	0.162	S	C	.	.	S	Bend	trans	-57.7	113.7	166.3	-176.2	0	0	0	0	109.3	E410 L438	E410-S436 PolarHBondContact O-N 3.16Å; S436-L438 PolarHBondContact O-N 2.81Å
437	N	92.8	Very high	97.9	Very high	40 Å²	40	25 Å²	25	21%	0.214	13%	0.133	C	C	.	.	S	Bend	trans	50.5	16	176.4	66.3	-69	0	0	0	117.7	Y382 V384 F435	Y382-N437 WeakPolarHBondContact O-CB 3.3Å; Y382-N437 PolarHBondContact O-ND2 3.45Å; Y382-N437 VanDerWaalsContact O-ND2 3.11Å; V384-N437 PolarHBondContact N-O 2.85Å; F435-N437 PolarHBondContact O-N 3.27Å
438	L	98.5	Very high	98	Very high	6 Å²	6	20.9 Å²	20.9	3%	0.031	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.9	177	170.9	64.9	0	0	0	110	L377 V384 V386 V404 L407 Q409 F435 S436	L377-L438 HydrophobicContact CD1-CD2 4.14Å; L377-L438 HydrophobicContact CD2-CB 3.82Å; V384-L438 HydrophobicContact CB-CB 4.47Å; V384-L438 HydrophobicContact CB-CD1 3.82Å; V384-L438 HydrophobicContact CG1-CD1 3.49Å; V384-L438 VanDerWaalsContact CG1-CD1 3.49Å; V384-L438 CarbonylContact O-C 3.55Å; V384-L438 WeakPolarHBondContact O-CA 3.26Å; V386-L438 HydrophobicContact CG2-CD1 4.43Å; V404-L438 HydrophobicContact CG1-CD2 3.74Å; V404-L438 HydrophobicContact CG1-CG 4.2Å; V404-L438 HydrophobicContact CG2-CD1 4.49Å; L407-L438 HydrophobicContact CD1-CD2 3.77Å; Q409-L438 HydrophobicContact CG-CD2 4.26Å; F435-L438 WeakPolarHBondContact CA-O 3.47Å; F435-L438 HydrophobicContact CB-CB 4.22Å; F435-L438 HydrophobicContact CD2-CD2 4.48Å; F435-L438 HydrophobicContact CD2-CG 4.39Å; F435-L438 PolarHBondContact N-O 2.91Å; S436-L438 PolarHBondContact O-N 2.81Å
439	A	98.8	Very high	98	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.033	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.2	168.8	0	0	0	0	0	110.9	V384 L385 V386 V432 K433 E434 Y471	V384-A439 PolarHBondContact O-N 2.85Å; L385-A439 HydrophobicContact CD1-CB 4.09Å; V386-A439 PolarHBondContact N-O 3.13Å; V432-A439 HydrophobicContact CG2-CB 4.4Å; K433-A439 WeakPolarHBondContact O-CA 3.16Å; E434-A439 HydrophobicContact CG-CB 4.27Å; A439-Y471 HydrophobicContact CB-CD2 4.15Å; A439-Y471 HydrophobicContact CB-CE2 3.63Å
440	F	98.9	Very high	98	Very high	3 Å²	3	20.2 Å²	20.2	1%	0.013	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	133.1	163	173.8	-101.9	0	0	0	109	V386 N388 F397 D400 E401 V404 V432 K433 T442	V386-F440 HydrophobicContact CB-CD2 4.31Å; V386-F440 HydrophobicContact CG1-CD2 4.11Å; V386-F440 HydrophobicContact CG1-CE2 4.48Å; V386-F440 CarbonylContact O-C 3.49Å; V386-F440 WeakPolarHBondContact O-CA 3.41Å; N388-F440 WeakPolarHBondContact OD1-CE2 3.25Å; F397-F440 HydrophobicContact CB-CZ 4.24Å; F397-F440 HydrophobicContact CD2-CZ 4.4Å; F397-F440 VanDerWaalsContact O-CZ 3.3Å; F397-F440 WeakPolarHBondContact O-CZ 3.42Å; D400-F440 HydrophobicContact CB-CE2 4Å; E401-F440 HydrophobicContact CB-CD1 3.94Å; E401-F440 HydrophobicContact CB-CD2 4.44Å; E401-F440 HydrophobicContact CB-CE1 3.47Å; E401-F440 VanDerWaalsContact CB-CE1 3.47Å; E401-F440 HydrophobicContact CB-CE2 4.02Å; E401-F440 HydrophobicContact CB-CG 4.41Å; E401-F440 HydrophobicContact CB-CZ 3.52Å; E401-F440 VanDerWaalsContact CD-CE1 3.43Å; E401-F440 HydrophobicContact CG-CD1 3.64Å; E401-F440 HydrophobicContact CG-CE1 3.5Å; E401-F440 VanDerWaalsContact CG-CE1 3.5Å; E401-F440 HydrophobicContact CG-CG 4.36Å; E401-F440 HydrophobicContact CG-CZ 4.11Å; V404-F440 HydrophobicContact CB-CB 4.23Å; V404-F440 HydrophobicContact CG1-CB 3.94Å; V404-F440 HydrophobicContact CG2-CB 4.22Å; V404-F440 HydrophobicContact CG2-CD2 4.37Å; V432-F440 CarbonylContact C-O 3.57Å; V432-F440 WeakPolarHBondContact CA-O 3.38Å; V432-F440 WeakPolarHBondContact CG2-O 3.4Å; K433-F440 PolarHBondContact N-O 2.86Å; K433-F440 PolarHBondContact O-N 2.83Å; F440-T442 HydrophobicContact CE1-CG2 3.7Å; F440-T442 HydrophobicContact CZ-CG2 3.84Å
441	L	98.9	Very high	98	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	129.5	-175.5	-174.2	149.5	0	0	0	112	L385 V386 Y387 N388 W418 F431 V432 V443 M461 Y471	L385-L441 HydrophobicContact CD1-CB 4.08Å; V386-L441 PolarHBondContact O-N 2.85Å; Y387-L441 CarbonylContact C-O 3.59Å; Y387-L441 WeakPolarHBondContact CA-O 3.36Å; N388-L441 PolarHBondContact N-O 2.94Å; W418-L441 HydrophobicContact CD2-CD1 4.17Å; W418-L441 HydrophobicContact CG-CD1 4.12Å; W418-L441 HydrophobicContact CZ2-CD2 3.82Å; F431-L441 CarbonylContact O-C 3.5Å; F431-L441 VanDerWaalsContact O-CA 3.3Å; F431-L441 WeakPolarHBondContact O-CA 3.47Å; V432-L441 HydrophobicContact CB-CB 4.47Å; V432-L441 HydrophobicContact CB-CD1 4.14Å; V432-L441 HydrophobicContact CB-CG 4.3Å; V432-L441 HydrophobicContact CG2-CB 4.26Å; V432-L441 HydrophobicContact CG2-CD1 4.11Å; V432-L441 HydrophobicContact CG2-CG 4.46Å; L441-V443 HydrophobicContact CD2-CG2 3.73Å; L441-M461 HydrophobicContact CD1-CG 4.29Å; L441-M461 HydrophobicContact CD2-CG 4.29Å; L441-M461 HydrophobicContact CD2-SD 3.71Å; L441-Y471 HydrophobicContact CD1-CD1 3.61Å; L441-Y471 HydrophobicContact CD1-CE1 4.36Å; L441-Y471 HydrophobicContact CD1-CG 3.77Å
442	T	98.9	Very high	98	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	146.8	168.4	71.3	0	0	0	0	111.5	N388 F397 W418 G430 F431 F440	N388-T442 CarbonylContact O-C 3.16Å; N388-T442 VanDerWaalsContact O-CA 3.25Å; N388-T442 WeakPolarHBondContact O-CA 3.49Å; F397-T442 HydrophobicContact CB-CG2 4.16Å; F397-T442 HydrophobicContact CD2-CG2 3.74Å; F397-T442 HydrophobicContact CG-CG2 4.15Å; W418-T442 PolarHBondContact NE1-O 2.75Å; G430-T442 WeakPolarHBondContact CA-O 3.39Å; F431-T442 PolarHBondContact N-OG1 2.83Å; F431-T442 PolarHBondContact O-N 2.51Å; F440-T442 HydrophobicContact CE1-CG2 3.7Å; F440-T442 HydrophobicContact CZ-CG2 3.84Å
443	V	98.9	Very high	98	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	106	171	-170.3	0	0	0	0	109	N388 D390 W418 G429 L441 G445 S446 V450 K454 A457 M461	N388-V443 PolarHBondContact O-N 2.89Å; D390-V443 PolarHBondContact N-O 3.29Å; W418-V443 HydrophobicContact CZ2-CG1 4.46Å; W418-V443 HydrophobicContact CZ2-CG2 4.22Å; G429-V443 CarbonylContact O-C 3.56Å; G429-V443 WeakPolarHBondContact O-CA 3.31Å; L441-V443 HydrophobicContact CD2-CG2 3.73Å; V443-G445 PolarHBondContact O-N 3.36Å; V443-S446 VanDerWaalsContact O-CB 3.24Å; V443-S446 WeakPolarHBondContact O-CB 3.24Å; V443-S446 PolarHBondContact O-N 2.69Å; V443-V450 HydrophobicContact CB-CG1 3.95Å; V443-V450 HydrophobicContact CG1-CG1 3.97Å; V443-V450 HydrophobicContact CG2-CG1 3.75Å; V443-K454 HydrophobicContact CG1-CB 3.94Å; V443-K454 HydrophobicContact CG1-CG 4Å; V443-A457 HydrophobicContact CG1-CB 4.24Å; V443-M461 HydrophobicContact CG2-SD 4.32Å
444	K	98.8	Very high	98	Very high	103 Å²	103	24 Å²	24	45%	0.448	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	123.5	-167.3	-172.2	-171.4	62.2	55	0	113	D390 V428 G429 S446 K454	D390-K444 WeakPolarHBondContact OD1-CA 3.39Å; D390-K444 WeakPolarHBondContact OD2-CA 3.5Å; V428-K444 VanDerWaalsContact O-CE 3.28Å; V428-K444 WeakPolarHBondContact O-CE 3.38Å; G429-K444 PolarHBondContact O-N 3.3Å; K444-S446 VanDerWaalsContact C-N 3.29Å; K444-K454 WeakPolarHBondContact O-CE 3.47Å
445	G	98.6	Very high	98	Very high	29 Å²	29	24.6 Å²	24.6	30%	0.299	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	22	-179.6	0	0	0	0	0	113.1	D390 V443 K454	D390-G445 PolarHBondContact OD1-N 3.48Å; V443-G445 PolarHBondContact O-N 3.36Å; G445-K454 VanDerWaalsContact C-CE 3.49Å; G445-K454 WeakPolarHBondContact O-CE 3.4Å; G445-K454 PolarHBondContact O-NZ 3.34Å
446	S	98.8	Very high	98.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.145	C	C	.	.			trans	-105.5	142.1	175.8	-165.3	0	0	0	0	110.1	G389 D390 V391 V443 K444 V450	G389-S446 CarbonylContact C-O 3.59Å; G389-S446 WeakPolarHBondContact CA-O 3.33Å; D390-S446 PolarHBondContact N-O 2.91Å; D390-S446 VanDerWaalsContact N-O 3.1Å; V391-S446 VanDerWaalsContact CG2-C 3.44Å; V391-S446 VanDerWaalsContact CG2-O 3.23Å; V391-S446 WeakPolarHBondContact CG2-O 3.25Å; V391-S446 PolarHBondContact N-O 2.59Å; V443-S446 VanDerWaalsContact O-CB 3.24Å; V443-S446 WeakPolarHBondContact O-CB 3.24Å; V443-S446 PolarHBondContact O-N 2.69Å; K444-S446 VanDerWaalsContact C-N 3.29Å; S446-V450 VanDerWaalsContact OG-CA 3.3Å; S446-V450 WeakPolarHBondContact OG-CA 3.23Å
447	G	98.8	Very high	98.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.			trans	-86.1	-152.9	170.3	0	0	0	0	0	112.6	Y264 G389 D453	Y264-G447 CarbonylContact O-C 3.53Å; Y264-G447 WeakPolarHBondContact O-CA 3.39Å; G389-G447 WeakPolarHBondContact CA-O 3.48Å; G447-D453 VanDerWaalsContact CA-OD2 3.28Å; G447-D453 WeakPolarHBondContact CA-OD2 3.35Å; G447-D453 PolarHBondContact N-OD2 3.02Å
448	H	98.8	Very high	98.7	Very high	9 Å²	9	22.6 Å²	22.6	4%	0.042	12%	0.123	C	C	.	.	S	Bend	trans	-62.3	-51.9	-174.2	-160.6	68.3	0	0	0	112	E166 S167 N195 Y264 D392 V450	E166-H448 VanDerWaalsContact CD-O 3.28Å; E166-H448 IonicContact OE1-CD2 3.55Å; E166-H448 VanDerWaalsContact OE2-O 3.06Å; S167-H448 WeakPolarHBondContact CB-NE2 3.4Å; S167-H448 PolarHBondContact OG-CE1 3.18Å; S167-H448 PolarHBondContact OG-NE2 2.67Å; N195-H448 PolarHBondContact OD1-O 3.12Å; Y264-H448 HydrophobicContact CD1-CB 3.65Å; Y264-H448 AromaticContact CD1-CD2 3.67Å; Y264-H448 AromaticContact CD1-CG 3.58Å; Y264-H448 AromaticContact CE1-CD2 3.9Å; Y264-H448 HydrophobicContact CG-CB 4.04Å; Y264-H448 PolarHBondContact O-N 3.01Å; D392-H448 HydrophobicContact CB-CB 4.43Å; D392-H448 VanDerWaalsContact CG-ND1 3.31Å; D392-H448 IonicContact OD1-CG 3.24Å; D392-H448 IonicContact OD1-ND1 2.86Å; D392-H448 PolarHBondContact OD1-ND1 2.98Å; D392-H448 IonicContact OD2-CE1 3.84Å; D392-H448 IonicContact OD2-CG 3.75Å; D392-H448 IonicContact OD2-ND1 3.8Å; D392-H448 PolarHBondContact OD2-ND1 2.86Å; H448-V450 PolarHBondContact O-N 2.81Å; H448-V450 VanDerWaalsContact O-N 3.1Å
449	M	98.6	Very high	98.7	Very high	42 Å²	42	23.9 Å²	23.9	21%	0.207	13%	0.129	C	C	.	.	S	Bend	trans	-84.5	78.5	177.2	-66.3	164.3	-76.1	0	0	109.6	E86 E166 P451 T452 D453	E86-M449 HydrophobicContact CG-CB 4.44Å; E166-M449 WeakPolarHBondContact OE1-CG 3.35Å; E166-M449 WeakPolarHBondContact OE2-CA 3.24Å; M449-P451 VanDerWaalsContact C-CD 3.41Å; M449-T452 WeakPolarHBondContact O-CB 3.47Å; M449-T452 PolarHBondContact O-N 2.85Å; M449-T452 VanDerWaalsContact O-N 3.11Å; M449-D453 PolarHBondContact O-N 3.48Å
450	V	98.9	Very high	98.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-54.2	-43.9	-174.1	171.7	0	0	0	0	114.1	N195 Y387 V443 S446 H448 T452 D453 K454 A458	N195-V450 WeakPolarHBondContact OD1-CG2 3.32Å; Y387-V450 HydrophobicContact CD2-CB 4.4Å; Y387-V450 HydrophobicContact CD2-CG1 4.37Å; Y387-V450 HydrophobicContact CD2-CG2 4.17Å; Y387-V450 HydrophobicContact CE2-CB 4.01Å; Y387-V450 HydrophobicContact CE2-CG1 4.26Å; Y387-V450 HydrophobicContact CE2-CG2 4.1Å; V443-V450 HydrophobicContact CB-CG1 3.95Å; V443-V450 HydrophobicContact CG1-CG1 3.97Å; V443-V450 HydrophobicContact CG2-CG1 3.75Å; S446-V450 VanDerWaalsContact OG-CA 3.3Å; S446-V450 WeakPolarHBondContact OG-CA 3.23Å; H448-V450 PolarHBondContact O-N 2.81Å; H448-V450 VanDerWaalsContact O-N 3.1Å; V450-T452 VanDerWaalsContact C-N 3.27Å; V450-T452 PolarHBondContact O-N 3.4Å; V450-D453 PolarHBondContact O-N 3.32Å; V450-K454 PolarHBondContact O-N 3.16Å; V450-A458 HydrophobicContact CG1-CB 4.14Å
451	P	98.8	Very high	98.7	Very high	3 Å²	3	25 Å²	25	2%	0.019	14%	0.136	C	C	.	.	H	α-helix	trans	-66.6	-28.4	-179.6	-13	26.8	0	0	0	113.3	E86 H87 W106 M449 P455 A458	E86-P451 HydrophobicContact CB-CB 3.98Å; E86-P451 HydrophobicContact CB-CG 4.14Å; H87-P451 HydrophobicContact CB-CB 3.86Å; H87-P451 HydrophobicContact CB-CG 4.4Å; W106-P451 HydrophobicContact CZ2-CG 4.17Å; M449-P451 VanDerWaalsContact C-CD 3.41Å; P451-P455 WeakPolarHBondContact O-CA 3.34Å; P451-P455 VanDerWaalsContact O-CB 3.31Å; P451-P455 WeakPolarHBondContact O-CB 3.16Å; P451-A458 HydrophobicContact CB-CB 4.07Å; P451-A458 HydrophobicContact CG-CB 4.42Å
452	T	98.6	Very high	98.7	Very high	60 Å²	60	25.3 Å²	25.3	37%	0.368	14%	0.137	S	C	.	.	H	α-helix	trans	-68.6	-48.3	174.8	-54.5	0	0	0	0	111.5	T85 E86 M449 V450	T85-T452 PolarHBondContact O-OG1 3.41Å; T85-T452 VanDerWaalsContact O-OG1 3.09Å; E86-T452 WeakPolarHBondContact CG-OG1 3.37Å; M449-T452 WeakPolarHBondContact O-CB 3.47Å; M449-T452 PolarHBondContact O-N 2.85Å; M449-T452 VanDerWaalsContact O-N 3.11Å; V450-T452 VanDerWaalsContact C-N 3.27Å; V450-T452 PolarHBondContact O-N 3.4Å
453	D	98.6	Very high	98.7	Very high	57 Å²	57	26 Å²	26	31%	0.305	14%	0.141	S	C	.	.	H	α-helix	trans	-79.8	-32.4	-172.9	-75.3	-19	0	0	0	113.5	N265 G447 M449 V450	N265-D453 PolarHBondContact ND2-OD2 3.23Å; G447-D453 VanDerWaalsContact CA-OD2 3.28Å; G447-D453 WeakPolarHBondContact CA-OD2 3.35Å; G447-D453 PolarHBondContact N-OD2 3.02Å; M449-D453 PolarHBondContact O-N 3.48Å; V450-D453 PolarHBondContact O-N 3.32Å
454	K	98.6	Very high	98.7	Very high	68 Å²	68	28.5 Å²	28.5	30%	0.296	15%	0.151	S	C	.	.			trans	-137	62.1	-176.3	-59.8	-64.5	172.4	-143.7	0	112.1	V443 K444 G445 V450 I456 A457 A458	V443-K454 HydrophobicContact CG1-CB 3.94Å; V443-K454 HydrophobicContact CG1-CG 4Å; K444-K454 WeakPolarHBondContact O-CE 3.47Å; G445-K454 VanDerWaalsContact C-CE 3.49Å; G445-K454 WeakPolarHBondContact O-CE 3.4Å; G445-K454 PolarHBondContact O-NZ 3.34Å; V450-K454 PolarHBondContact O-N 3.16Å; K454-I456 PolarHBondContact O-N 3.21Å; K454-A457 HydrophobicContact CB-CB 3.99Å; K454-A457 PolarHBondContact O-N 2.97Å; K454-A458 WeakPolarHBondContact O-CB 3.27Å; K454-A458 PolarHBondContact O-N 3.31Å
455	P	98.5	Very high	98.7	Very high	40 Å²	40	23.7 Å²	23.7	26%	0.26	13%	0.13	S	C	.	.	H	α-helix	trans	-58.9	-40.8	-170.8	21.5	-34.1	0	0	0	113.9	Y104 P451 F459	Y104-P455 HydrophobicContact CD2-CB 3.65Å; Y104-P455 HydrophobicContact CD2-CG 4.03Å; Y104-P455 HydrophobicContact CE2-CG 4.45Å; Y104-P455 HydrophobicContact CG-CB 4.05Å; P451-P455 WeakPolarHBondContact O-CA 3.34Å; P451-P455 VanDerWaalsContact O-CB 3.31Å; P451-P455 WeakPolarHBondContact O-CB 3.16Å; P455-F459 WeakPolarHBondContact O-CB 3.48Å; P455-F459 PolarHBondContact O-N 3.07Å
456	I	98.4	Very high	98.7	Very high	44 Å²	44	22.6 Å²	22.6	23%	0.226	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-45.3	177.8	-48.9	-177.6	0	0	0	111.3	Y104 Y420 K454 T460	Y104-I456 HydrophobicContact CD1-CG1 4.17Å; Y104-I456 HydrophobicContact CD2-CG1 4.34Å; Y104-I456 HydrophobicContact CE1-CB 4.37Å; Y104-I456 HydrophobicContact CE1-CD1 4.34Å; Y104-I456 HydrophobicContact CE1-CG1 3.66Å; Y104-I456 HydrophobicContact CE1-CG2 4.44Å; Y104-I456 HydrophobicContact CE2-CD1 4.48Å; Y104-I456 HydrophobicContact CE2-CG1 3.82Å; Y104-I456 HydrophobicContact CG-CG1 4.49Å; Y104-I456 VanDerWaalsContact CZ-CG1 3.46Å; Y420-I456 HydrophobicContact CD2-CB 4.32Å; Y420-I456 HydrophobicContact CD2-CG2 3.87Å; Y420-I456 HydrophobicContact CE2-CB 4.13Å; Y420-I456 HydrophobicContact CE2-CG2 4.07Å; K454-I456 PolarHBondContact O-N 3.21Å; I456-T460 WeakPolarHBondContact O-CB 3.38Å; I456-T460 PolarHBondContact O-N 3.09Å; I456-T460 PolarHBondContact O-OG1 3.24Å
457	A	98.6	Very high	98.7	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-69.8	-43.3	-178.3	0	0	0	0	0	110.4	W418 Y420 V443 K454 T460 M461	W418-A457 HydrophobicContact CH2-CB 3.83Å; Y420-A457 HydrophobicContact CD1-CB 4.28Å; Y420-A457 HydrophobicContact CD2-CB 4.18Å; Y420-A457 HydrophobicContact CE1-CB 4.24Å; Y420-A457 HydrophobicContact CE2-CB 4.13Å; Y420-A457 HydrophobicContact CG-CB 4.24Å; V443-A457 HydrophobicContact CG1-CB 4.24Å; K454-A457 HydrophobicContact CB-CB 3.99Å; K454-A457 PolarHBondContact O-N 2.97Å; A457-T460 PolarHBondContact O-N 2.92Å; A457-M461 WeakPolarHBondContact O-CB 3.35Å; A457-M461 PolarHBondContact O-N 3.38Å
458	A	98.8	Very high	98.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-59.1	-48.5	175.9	0	0	0	0	0	111.6	V450 P451 K454 T460 M461 F462	V450-A458 HydrophobicContact CG1-CB 4.14Å; P451-A458 HydrophobicContact CB-CB 4.07Å; P451-A458 HydrophobicContact CG-CB 4.42Å; K454-A458 WeakPolarHBondContact O-CB 3.27Å; K454-A458 PolarHBondContact O-N 3.31Å; A458-T460 VanDerWaalsContact C-N 3.35Å; A458-T460 PolarHBondContact O-N 3.11Å; A458-M461 PolarHBondContact O-N 2.96Å; A458-F462 VanDerWaalsContact O-CB 3.31Å; A458-F462 WeakPolarHBondContact O-CB 3.49Å; A458-F462 PolarHBondContact O-N 2.91Å
459	F	98.8	Very high	98.6	Very high	34 Å²	34	36 Å²	36	15%	0.149	18%	0.177	C	C	.	.	H	α-helix	trans	-63.5	-39.3	176	-179	-101.4	0	0	0	112.4	S105 M108 I109 P455 F462 S463	S105-F459 VanDerWaalsContact O-CE2 3.31Å; S105-F459 WeakPolarHBondContact O-CE2 3.45Å; M108-F459 HydrophobicContact CB-CE2 3.95Å; M108-F459 HydrophobicContact CB-CZ 4.04Å; M108-F459 HydrophobicContact CE-CZ 4.48Å; M108-F459 HydrophobicContact SD-CE2 4.13Å; M108-F459 HydrophobicContact SD-CZ 4.07Å; I109-F459 HydrophobicContact CG1-CE2 4.39Å; I109-F459 HydrophobicContact CG2-CZ 4.23Å; P455-F459 WeakPolarHBondContact O-CB 3.48Å; P455-F459 PolarHBondContact O-N 3.07Å; F459-F462 PolarHBondContact O-N 3.2Å; F459-S463 WeakPolarHBondContact O-CB 3.29Å; F459-S463 PolarHBondContact O-N 3.04Å
460	T	98.8	Very high	98.5	Very high	29 Å²	29	38.6 Å²	38.6	18%	0.178	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-46.3	176.5	-59.9	0	0	0	0	111.4	W418 I456 A457 A458 S463 R464	W418-T460 HydrophobicContact CZ3-CG2 4.47Å; I456-T460 WeakPolarHBondContact O-CB 3.38Å; I456-T460 PolarHBondContact O-N 3.09Å; I456-T460 PolarHBondContact O-OG1 3.24Å; A457-T460 PolarHBondContact O-N 2.92Å; A458-T460 VanDerWaalsContact C-N 3.35Å; A458-T460 PolarHBondContact O-N 3.11Å; T460-S463 PolarHBondContact O-N 2.95Å; T460-R464 WeakPolarHBondContact O-CG 3.36Å; T460-R464 PolarHBondContact O-N 3.43Å
461	M	98.9	Very high	98.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-50.1	175.4	174.9	-165.2	70.9	0	0	111.2	L385 Y387 W418 L441 V443 A457 A458 S463 R464 F465 Y471	L385-M461 HydrophobicContact CD2-CG 4.02Å; L385-M461 HydrophobicContact CD2-SD 4.11Å; Y387-M461 HydrophobicContact CD1-CE 3.71Å; Y387-M461 HydrophobicContact CD1-SD 3.99Å; Y387-M461 HydrophobicContact CD2-CE 3.65Å; Y387-M461 HydrophobicContact CD2-SD 3.93Å; Y387-M461 HydrophobicContact CE1-CE 3.81Å; Y387-M461 HydrophobicContact CE2-CE 3.78Å; Y387-M461 HydrophobicContact CG-CE 3.62Å; Y387-M461 HydrophobicContact CG-SD 3.56Å; Y387-M461 VanDerWaalsContact CG-SD 3.56Å; W418-M461 HydrophobicContact CH2-CB 4.26Å; L441-M461 HydrophobicContact CD1-CG 4.29Å; L441-M461 HydrophobicContact CD2-CG 4.29Å; L441-M461 HydrophobicContact CD2-SD 3.71Å; V443-M461 HydrophobicContact CG2-SD 4.32Å; A457-M461 WeakPolarHBondContact O-CB 3.35Å; A457-M461 PolarHBondContact O-N 3.38Å; A458-M461 PolarHBondContact O-N 2.96Å; M461-S463 PolarHBondContact O-N 3.02Å; M461-R464 PolarHBondContact O-N 2.98Å; M461-F465 WeakPolarHBondContact O-CB 3.44Å; M461-F465 PolarHBondContact O-N 2.95Å; M461-Y471 HydrophobicContact CG-CD1 4.43Å; M461-Y471 HydrophobicContact CG-CE1 4.3Å
462	F	98.9	Very high	98.3	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.022	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-48.4	177.4	172.9	-108.5	0	0	0	111.7	V68 W106 I109 A110 M112 A458 F459 R464 F465 I466	V68-F462 HydrophobicContact CG1-CE2 4.19Å; V68-F462 HydrophobicContact CG2-CE2 4.33Å; V68-F462 HydrophobicContact CG2-CZ 4.16Å; W106-F462 HydrophobicContact CB-CD1 3.9Å; W106-F462 HydrophobicContact CB-CE1 3.57Å; W106-F462 HydrophobicContact CB-CZ 3.93Å; W106-F462 AromaticContact CD1-CD1 3.94Å; W106-F462 HydrophobicContact CD2-CB 4.09Å; W106-F462 AromaticContact CD2-CD1 3.87Å; W106-F462 HydrophobicContact CD2-CD1 3.87Å; W106-F462 AromaticContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CD2 3.63Å; W106-F462 HydrophobicContact CD2-CE1 4.18Å; W106-F462 AromaticContact CD2-CE2 3.96Å; W106-F462 HydrophobicContact CD2-CE2 3.96Å; W106-F462 AromaticContact CD2-CG 3.58Å; W106-F462 HydrophobicContact CD2-CG 3.58Å; W106-F462 HydrophobicContact CD2-CZ 4.21Å; W106-F462 AromaticContact CE2-CG 3.79Å; W106-F462 HydrophobicContact CE3-CD1 4.41Å; W106-F462 AromaticContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CD2 3.45Å; W106-F462 VanDerWaalsContact CE3-CD2 3.45Å; W106-F462 HydrophobicContact CE3-CE1 4.46Å; W106-F462 AromaticContact CE3-CE2 3.5Å; W106-F462 HydrophobicContact CE3-CE2 3.5Å; W106-F462 AromaticContact CE3-CG 3.93Å; W106-F462 HydrophobicContact CE3-CG 3.93Å; W106-F462 HydrophobicContact CE3-CZ 4.03Å; W106-F462 HydrophobicContact CG-CB 4.46Å; W106-F462 AromaticContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD1 3.62Å; W106-F462 HydrophobicContact CG-CD2 4.26Å; W106-F462 AromaticContact CG-CE1 3.81Å; W106-F462 HydrophobicContact CG-CE1 3.81Å; W106-F462 HydrophobicContact CG-CE2 4.43Å; W106-F462 AromaticContact CG-CG 3.86Å; W106-F462 HydrophobicContact CG-CG 3.86Å; W106-F462 HydrophobicContact CG-CZ 4.21Å; W106-F462 HydrophobicContact CH2-CD2 4.18Å; W106-F462 HydrophobicContact CZ2-CB 4.03Å; W106-F462 HydrophobicContact CZ2-CD2 4.32Å; W106-F462 HydrophobicContact CZ2-CG 4.32Å; W106-F462 AromaticContact CZ3-CD2 3.75Å; W106-F462 HydrophobicContact CZ3-CD2 3.75Å; W106-F462 HydrophobicContact CZ3-CE2 4.03Å; W106-F462 HydrophobicContact CZ3-CG 4.44Å; W106-F462 WeakPolarHBondContact O-CE1 3.47Å; I109-F462 HydrophobicContact CD1-CD1 3.95Å; I109-F462 HydrophobicContact CD1-CE1 3.83Å; I109-F462 HydrophobicContact CG1-CD1 4.23Å; I109-F462 HydrophobicContact CG1-CE1 3.69Å; A110-F462 HydrophobicContact CB-CE1 4.31Å; A110-F462 HydrophobicContact CB-CZ 3.89Å; M112-F462 HydrophobicContact SD-CZ 4.1Å; A458-F462 VanDerWaalsContact O-CB 3.31Å; A458-F462 WeakPolarHBondContact O-CB 3.49Å; A458-F462 PolarHBondContact O-N 2.91Å; F459-F462 PolarHBondContact O-N 3.2Å; F462-R464 VanDerWaalsContact C-N 3.33Å; F462-R464 PolarHBondContact O-N 3.14Å; F462-F465 WeakPolarHBondContact O-CB 3.44Å; F462-F465 PolarHBondContact O-N 3.27Å; F462-I466 HydrophobicContact CD1-CG1 4.43Å; F462-I466 HydrophobicContact CD2-CD1 4.45Å; F462-I466 HydrophobicContact CD2-CG1 3.92Å; F462-I466 HydrophobicContact CE1-CG1 4.06Å; F462-I466 HydrophobicContact CE2-CD1 3.73Å; F462-I466 HydrophobicContact CE2-CG1 3.5Å; F462-I466 VanDerWaalsContact CE2-CG1 3.5Å; F462-I466 HydrophobicContact CG-CG1 4.37Å; F462-I466 HydrophobicContact CZ-CD1 4.01Å; F462-I466 HydrophobicContact CZ-CG1 3.59Å; F462-I466 WeakPolarHBondContact O-CG1 3.42Å; F462-I466 PolarHBondContact O-N 3.21Å
463	S	98.8	Very high	98.3	Very high	17 Å²	17	39.8 Å²	39.8	12%	0.119	20%	0.199	C	C	.	.	H	α-helix	trans	-58.5	-42.2	177.6	-175.4	0	0	0	0	112.5	F459 T460 M461 K467	F459-S463 WeakPolarHBondContact O-CB 3.29Å; F459-S463 PolarHBondContact O-N 3.04Å; T460-S463 PolarHBondContact O-N 2.95Å; M461-S463 PolarHBondContact O-N 3.02Å; S463-K467 VanDerWaalsContact O-CB 3.25Å; S463-K467 WeakPolarHBondContact O-CB 3.35Å; S463-K467 VanDerWaalsContact O-CG 3.3Å; S463-K467 WeakPolarHBondContact O-CG 3.33Å; S463-K467 PolarHBondContact O-N 2.86Å; S463-K467 PolarHBondContact OG-NZ 3.08Å
464	R	98.8	Very high	98.3	Very high	55 Å²	55	38.9 Å²	38.9	21%	0.208	19%	0.193	C	C	.	.	H	α-helix	trans	-68.5	-40.2	176	-72.3	171.4	174.1	158.8	3.1	112.3	L419 T460 M461 F462 K468 Q469 P470 Y471	L419-R464 PolarHBondContact O-NH1 2.87Å; L419-R464 PolarHBondContact O-NH2 3.33Å; T460-R464 WeakPolarHBondContact O-CG 3.36Å; T460-R464 PolarHBondContact O-N 3.43Å; M461-R464 PolarHBondContact O-N 2.98Å; F462-R464 VanDerWaalsContact C-N 3.33Å; F462-R464 PolarHBondContact O-N 3.14Å; R464-K468 CarbonylContact O-C 3.49Å; R464-K468 PolarHBondContact O-N 3.14Å; R464-K468 VanDerWaalsContact O-N 3.12Å; R464-Q469 HydrophobicContact CB-CB 4.18Å; R464-Q469 HydrophobicContact CG-CB 4.17Å; R464-Q469 PolarHBondContact O-N 2.67Å; R464-P470 WeakPolarHBondContact CD-O 3.39Å; R464-Y471 HydrophobicContact CB-CD1 4.34Å; R464-Y471 PolarHBondContact NH1-OXT 3.06Å
465	F	98.8	Very high	98.3	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-59.2	-53.9	174.3	169.7	-105	0	0	0	111.4	F162 I191 A192 R383 L385 M461 F462 K467 K468 Y471	F162-F465 HydrophobicContact CB-CE1 4.38Å; F162-F465 HydrophobicContact CD1-CD1 4.46Å; F162-F465 AromaticContact CD1-CE1 3.45Å; F162-F465 HydrophobicContact CD1-CE1 3.45Å; F162-F465 VanDerWaalsContact CD1-CE1 3.45Å; F162-F465 AromaticContact CD1-CZ 3.58Å; F162-F465 HydrophobicContact CD1-CZ 3.58Å; F162-F465 AromaticContact CE1-CE1 3.95Å; F162-F465 HydrophobicContact CE1-CE1 3.95Å; F162-F465 HydrophobicContact CE1-CZ 4Å; F162-F465 HydrophobicContact CG-CE1 4.12Å; I191-F465 WeakPolarHBondContact O-CE2 3.36Å; I191-F465 WeakPolarHBondContact O-CZ 3.37Å; A192-F465 HydrophobicContact CB-CD1 4.3Å; A192-F465 HydrophobicContact CB-CE1 3.92Å; A192-F465 HydrophobicContact CB-CE2 4.23Å; A192-F465 HydrophobicContact CB-CZ 3.88Å; R383-F465 HydrophobicContact CB-CE2 4.3Å; R383-F465 WeakPolarHBondContact CD-O 3.28Å; R383-F465 HydrophobicContact CG-CD2 4.06Å; R383-F465 HydrophobicContact CG-CE2 3.88Å; R383-F465 PolarHBondContact NE-O 3.23Å; L385-F465 HydrophobicContact CB-CD2 3.76Å; L385-F465 HydrophobicContact CB-CE2 3.89Å; L385-F465 HydrophobicContact CD2-CB 4.15Å; L385-F465 HydrophobicContact CD2-CD2 4.16Å; L385-F465 HydrophobicContact CD2-CG 4.24Å; M461-F465 WeakPolarHBondContact O-CB 3.44Å; M461-F465 PolarHBondContact O-N 2.95Å; F462-F465 WeakPolarHBondContact O-CB 3.44Å; F462-F465 PolarHBondContact O-N 3.27Å; F465-K467 PolarHBondContact O-N 3.26Å; F465-K468 PolarHBondContact O-N 3Å; F465-Y471 HydrophobicContact CB-CE1 4.25Å; F465-Y471 WeakPolarHBondContact CD2-OH 3.38Å
466	I	98.6	Very high	98.3	Very high	7 Å²	7	37 Å²	37	4%	0.036	18%	0.182	C	C	.	.	H	α-helix	trans	-61.5	-46.7	-179.1	-67.1	-61.6	0	0	0	111.5	P66 V68 F162 F462 K468	P66-I466 HydrophobicContact CB-CG2 4.45Å; P66-I466 HydrophobicContact CG-CG2 3.72Å; V68-I466 HydrophobicContact CG2-CD1 3.84Å; F162-I466 HydrophobicContact CB-CD1 4.39Å; F162-I466 HydrophobicContact CD1-CD1 4.24Å; F162-I466 HydrophobicContact CD2-CD1 3.61Å; F162-I466 HydrophobicContact CE1-CD1 4.41Å; F162-I466 HydrophobicContact CE2-CD1 3.82Å; F162-I466 HydrophobicContact CG-CD1 3.83Å; F162-I466 HydrophobicContact CZ-CD1 4.21Å; F462-I466 HydrophobicContact CD1-CG1 4.43Å; F462-I466 HydrophobicContact CD2-CD1 4.45Å; F462-I466 HydrophobicContact CD2-CG1 3.92Å; F462-I466 HydrophobicContact CE1-CG1 4.06Å; F462-I466 HydrophobicContact CE2-CD1 3.73Å; F462-I466 HydrophobicContact CE2-CG1 3.5Å; F462-I466 VanDerWaalsContact CE2-CG1 3.5Å; F462-I466 HydrophobicContact CG-CG1 4.37Å; F462-I466 HydrophobicContact CZ-CD1 4.01Å; F462-I466 HydrophobicContact CZ-CG1 3.59Å; F462-I466 WeakPolarHBondContact O-CG1 3.42Å; F462-I466 PolarHBondContact O-N 3.21Å; I466-K468 PolarHBondContact O-N 3.07Å; I466-K468 VanDerWaalsContact O-N 3.17Å
467	K	98.3	Very high	98.3	Very high	111 Å²	111	36.5 Å²	36.5	48%	0.483	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	6.3	-179.3	-65.4	175.3	-179.8	169.3	0	113.9	S463 F465 Q469	S463-K467 VanDerWaalsContact O-CB 3.25Å; S463-K467 WeakPolarHBondContact O-CB 3.35Å; S463-K467 VanDerWaalsContact O-CG 3.3Å; S463-K467 WeakPolarHBondContact O-CG 3.33Å; S463-K467 PolarHBondContact O-N 2.86Å; S463-K467 PolarHBondContact OG-NZ 3.08Å; F465-K467 PolarHBondContact O-N 3.26Å; K467-Q469 HydrophobicContact CB-CG 3.9Å; K467-Q469 PolarHBondContact O-N 3.11Å
468	K	97.5	Very high	98.3	Very high	91 Å²	91	39 Å²	39	40%	0.396	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	32.8	-178.3	-60.7	165.2	178.9	162.3	0	113.5	E160 R383 R464 F465 I466	E160-K468 IonicContact OE1-NZ 2.69Å; E160-K468 PolarHBondContact OE1-NZ 3.28Å; R383-K468 PolarHBondContact NH1-O 3.39Å; R464-K468 CarbonylContact O-C 3.49Å; R464-K468 PolarHBondContact O-N 3.14Å; R464-K468 VanDerWaalsContact O-N 3.12Å; F465-K468 PolarHBondContact O-N 3Å; I466-K468 PolarHBondContact O-N 3.07Å; I466-K468 VanDerWaalsContact O-N 3.17Å
469	Q	97.9	Very high	98.2	Very high	89 Å²	89	42 Å²	42	42%	0.416	21%	0.206	S	C	.	.			trans	-89	156.9	179.8	-64.1	178.5	-8.7	0	0	111.9	R383 R464 K467	R383-Q469 PolarHBondContact NH2-O 2.88Å; R464-Q469 HydrophobicContact CB-CB 4.18Å; R464-Q469 HydrophobicContact CG-CB 4.17Å; R464-Q469 PolarHBondContact O-N 2.67Å; K467-Q469 HydrophobicContact CB-CG 3.9Å; K467-Q469 PolarHBondContact O-N 3.11Å
470	P	96.1	Very high	98.2	Very high	95 Å²	95	42.7 Å²	42.7	62%	0.617	21%	0.211	S	C	*	.			trans	-60.3	146.6	168.9	-22	33.8	0	0	0	112	R464	R464-P470 WeakPolarHBondContact CD-O 3.39Å
471	Y	96.5	Very high	98.1	Very high	10 Å²	10	43.9 Å²	43.9	4%	0.039	21%	0.214	C	C	.	.			trans	-75.6	0	179.8	-63.5	-78.3	0	0	0	114	R383 L385 R416 W418 V432 A439 L441 M461 R464 F465	R383-Y471 PolarHBondContact NE-OH 2.84Å; R383-Y471 VanDerWaalsContact NH2-CE2 3.32Å; R383-Y471 VanDerWaalsContact NH2-CZ 3.35Å; R383-Y471 PolarHBondContact NH2-OH 2.58Å; L385-Y471 HydrophobicContact CD1-CE1 4.15Å; L385-Y471 HydrophobicContact CD1-CE2 4.42Å; L385-Y471 HydrophobicContact CD2-CE1 4.07Å; R416-Y471 VanDerWaalsContact CZ-O 3.26Å; R416-Y471 PolarHBondContact NH1-O 2.97Å; R416-Y471 PolarHBondContact NH2-O 3.49Å; W418-Y471 WeakPolarHBondContact CB-OXT 3.23Å; V432-Y471 HydrophobicContact CG2-CD2 3.98Å; V432-Y471 HydrophobicContact CG2-CG 4.2Å; A439-Y471 HydrophobicContact CB-CD2 4.15Å; A439-Y471 HydrophobicContact CB-CE2 3.63Å; L441-Y471 HydrophobicContact CD1-CD1 3.61Å; L441-Y471 HydrophobicContact CD1-CE1 4.36Å; L441-Y471 HydrophobicContact CD1-CG 3.77Å; M461-Y471 HydrophobicContact CG-CD1 4.43Å; M461-Y471 HydrophobicContact CG-CE1 4.3Å; R464-Y471 HydrophobicContact CB-CD1 4.34Å; R464-Y471 PolarHBondContact NH1-OXT 3.06Å; F465-Y471 HydrophobicContact CB-CE1 4.25Å; F465-Y471 WeakPolarHBondContact CD2-OH 3.38Å

Retrieved 471 of 471 residues in 249.1 ms (Link to these results)

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