A0A096N103_PAPAN Loading...

Protein N-terminal glutamine amidohydrolase

Mediates the side-chain deamidation of N-terminal glutamine residues to glutamate, an important step in N-end rule pathway of protein degradation. Conversion of the resulting N-terminal glutamine to glutamate renders the protein susceptible to arginylation, polyubiquitination and degradation as specified by the N-end rule. Does not act on substrates with internal or C-terminal glutamine and does not act on non-glutamine residues in any position. Does not deaminate acetylated N-terminal glutamine. With the exception of proline, all tested second-position residues on substrate peptides do not greatly influence the activity. In contrast, a proline at position 2, virtually abolishes deamidation of N-terminal glutamine.

AlphaFold DB , UniProt , Accession A0A096N103, Species PAPAN (Papio anubis, Olive baboon), Gene NTAQ1, Length 205 aa.

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(Predicted Aligned Error values between residue pairs)

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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	39.1	Very low	54.2	Low	247 Å²	247	127.2 Å²	127.2	100%	1.217	75%	0.754	S	S	*	*				0	91.3	0	-68.5	-174.5	-166.7	0	0	106.3
2	E	41.9	Very low	57.6	Low	199 Å²	199	125.8 Å²	125.8	93%	0.93	73%	0.734	S	S	*	*			trans	-86.8	111.5	172.4	-78.8	173.9	143.8	0	0	107.3	N4	E2-N4 PolarHBondContact O-N 3.09Å; E2-N4 VanDerWaalsContact O-N 3.11Å
3	G	44.1	Very low	60.7	Low	79 Å²	79	120.1 Å²	120.1	81%	0.814	70%	0.703	S	S	*	*			trans	-75.1	93.4	175.7	0	0	0	0	0	109.7	G5	G3-G5 VanDerWaalsContact C-N 3.26Å; G3-G5 PolarHBondContact O-N 3.11Å; G3-G5 VanDerWaalsContact O-N 3.09Å
4	N	46.4	Very low	63.3	Low	168 Å²	168	111.7 Å²	111.7	90%	0.898	66%	0.655	S	S	*	*			trans	-75.2	87.3	158	-112	11.4	0	0	0	107.4	E2	E2-N4 PolarHBondContact O-N 3.09Å; E2-N4 VanDerWaalsContact O-N 3.11Å
5	G	45.3	Very low	65.6	Low	52 Å²	52	104.9 Å²	104.9	54%	0.536	62%	0.616	S	S	.	*			trans	-61.6	146.4	160.8	0	0	0	0	0	109	G3 T7	G3-G5 VanDerWaalsContact C-N 3.26Å; G3-G5 PolarHBondContact O-N 3.11Å; G3-G5 VanDerWaalsContact O-N 3.09Å; G5-T7 PolarHBondContact O-N 2.98Å
6	P	46.7	Very low	67.6	Low	132 Å²	132	99.9 Å²	99.9	86%	0.857	59%	0.587	S	S	*	*			trans	-62.1	112.3	175.8	25	-30.1	0	0	0	108	A8	P6-A8 PolarHBondContact O-N 2.88Å; P6-A8 VanDerWaalsContact O-N 3.1Å
7	T	47.4	Very low	69.4	Low	121 Å²	121	99.4 Å²	99.4	74%	0.742	59%	0.587	S	S	*	*			trans	-58	114.9	164	30.1	0	0	0	0	106.5	G5 V9	G5-T7 PolarHBondContact O-N 2.98Å; T7-V9 WeakPolarHBondContact O-CG2 3.48Å; T7-V9 PolarHBondContact O-N 3.1Å
8	A	46.9	Very low	71	Confident	77 Å²	77	97.5 Å²	97.5	64%	0.636	57%	0.568	S	S	*	*			trans	-58	106.1	169.7	0	0	0	0	0	106.8	P6 H10	P6-A8 PolarHBondContact O-N 2.88Å; P6-A8 VanDerWaalsContact O-N 3.1Å; A8-H10 VanDerWaalsContact C-N 3.31Å; A8-H10 PolarHBondContact O-N 3.3Å
9	V	61.9	Low	72.4	Confident	133 Å²	133	100.4 Å²	100.4	81%	0.806	58%	0.581	S	S	*	*			trans	-73.2	94	-178.4	-170.1	0	0	0	0	106.3	T7 Y11	T7-V9 WeakPolarHBondContact O-CG2 3.48Å; T7-V9 PolarHBondContact O-N 3.1Å; V9-Y11 PolarHBondContact O-N 2.96Å
10	H	84.1	Confident	73.7	Confident	149 Å²	149	98.5 Å²	98.5	69%	0.69	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-61.4	127.3	174.3	-74.3	-72.8	0	0	0	109	A8 Q12	A8-H10 VanDerWaalsContact C-N 3.31Å; A8-H10 PolarHBondContact O-N 3.3Å; H10-Q12 PolarHBondContact O-N 3.24Å; H10-Q12 PolarHBondContact O-NE2 3Å; H10-Q12 VanDerWaalsContact O-NE2 3.1Å
11	Y	92.6	Very high	74.9	Confident	42 Å²	42	94.5 Å²	94.5	17%	0.165	56%	0.556	C	S	.	*	P	Polyproline II helix	trans	-51.8	131.9	176.5	173	-110.5	0	0	0	111.3	V9 H86 F94 Y96 P105	V9-Y11 PolarHBondContact O-N 2.96Å; Y11-H86 AromaticContact CE2-CE1 3.79Å; Y11-H86 AromaticContact CE2-ND1 3.48Å; Y11-H86 WeakPolarHBondContact CE2-ND1 3.31Å; Y11-H86 AromaticContact CZ-ND1 3.58Å; Y11-H86 PolarHBondContact OH-ND1 2.82Å; Y11-F94 AromaticContact CD1-CD1 3.86Å; Y11-F94 HydrophobicContact CD1-CD1 3.86Å; Y11-F94 AromaticContact CD1-CD2 3.95Å; Y11-F94 HydrophobicContact CD1-CD2 3.95Å; Y11-F94 AromaticContact CD1-CE1 3.62Å; Y11-F94 HydrophobicContact CD1-CE1 3.62Å; Y11-F94 AromaticContact CD1-CE2 3.72Å; Y11-F94 HydrophobicContact CD1-CE2 3.72Å; Y11-F94 HydrophobicContact CD1-CG 4.03Å; Y11-F94 AromaticContact CD1-CZ 3.55Å; Y11-F94 HydrophobicContact CD1-CZ 3.55Å; Y11-F94 AromaticContact CD2-CD2 3.96Å; Y11-F94 HydrophobicContact CD2-CD2 3.96Å; Y11-F94 AromaticContact CD2-CE2 3.57Å; Y11-F94 HydrophobicContact CD2-CE2 3.57Å; Y11-F94 HydrophobicContact CD2-CZ 4.09Å; Y11-F94 HydrophobicContact CE1-CB 4.13Å; Y11-F94 AromaticContact CE1-CD1 3.69Å; Y11-F94 HydrophobicContact CE1-CD1 3.69Å; Y11-F94 AromaticContact CE1-CD2 3.63Å; Y11-F94 HydrophobicContact CE1-CD2 3.63Å; Y11-F94 AromaticContact CE1-CE1 3.96Å; Y11-F94 HydrophobicContact CE1-CE1 3.96Å; Y11-F94 AromaticContact CE1-CE2 3.9Å; Y11-F94 HydrophobicContact CE1-CE2 3.9Å; Y11-F94 AromaticContact CE1-CG 3.52Å; Y11-F94 HydrophobicContact CE1-CG 3.52Å; Y11-F94 HydrophobicContact CE1-CZ 4.06Å; Y11-F94 AromaticContact CE2-CD2 3.68Å; Y11-F94 HydrophobicContact CE2-CD2 3.68Å; Y11-F94 AromaticContact CE2-CE2 3.8Å; Y11-F94 HydrophobicContact CE2-CE2 3.8Å; Y11-F94 HydrophobicContact CE2-CG 4.39Å; Y11-F94 HydrophobicContact CG-CD2 4.06Å; Y11-F94 HydrophobicContact CG-CE1 4.08Å; Y11-F94 AromaticContact CG-CE2 3.49Å; Y11-F94 HydrophobicContact CG-CE2 3.49Å; Y11-F94 VanDerWaalsContact CG-CE2 3.49Å; Y11-F94 AromaticContact CG-CZ 3.5Å; Y11-F94 HydrophobicContact CG-CZ 3.5Å; Y11-F94 AromaticContact CZ-CD2 3.45Å; Y11-F94 VanDerWaalsContact CZ-CD2 3.45Å; Y11-F94 AromaticContact CZ-CE2 3.92Å; Y11-F94 AromaticContact CZ-CG 3.7Å; Y11-Y96 WeakPolarHBondContact OH-CE2 3.44Å; Y11-Y96 PolarHBondContact OH-OH 2.87Å; Y11-P105 HydrophobicContact CD1-CG 4.4Å; Y11-P105 HydrophobicContact CE1-CB 4.4Å; Y11-P105 HydrophobicContact CE1-CG 3.66Å
12	Q	95.1	Very high	77.7	Confident	111 Å²	111	86.3 Å²	86.3	52%	0.519	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-99.5	130.9	173.2	-62	-55.9	-59.3	0	0	108.6	H10 Y45	H10-Q12 PolarHBondContact O-N 3.24Å; H10-Q12 PolarHBondContact O-NE2 3Å; H10-Q12 VanDerWaalsContact O-NE2 3.1Å; Q12-Y45 VanDerWaalsContact O-CE2 3.3Å; Q12-Y45 WeakPolarHBondContact O-CE2 3.27Å; Q12-Y45 PolarHBondContact O-OH 2.88Å
13	P	97.1	Very high	80.4	Confident	51 Å²	51	81 Å²	81	33%	0.331	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-57.3	143.8	175.5	-26.5	36	0	0	0	112.4	S15 Q44 Y96 P105	P13-S15 VanDerWaalsContact C-N 3.27Å; P13-Q44 PolarHBondContact O-NE2 2.84Å; P13-Q44 PolarHBondContact O-OE1 2.82Å; P13-Y96 WeakPolarHBondContact CA-OH 3.3Å; P13-Y96 HydrophobicContact CB-CE1 4.39Å; P13-P105 HydrophobicContact CB-CG 4.12Å; P13-P105 HydrophobicContact CG-CG 4.08Å
14	A	97.1	Very high	83	Confident	3 Å²	3	78.1 Å²	78.1	3%	0.025	46%	0.458	C	S	.	.	S	Bend	trans	-84.7	-2	174.7	0	0	0	0	0	112.3	Y38 I39 Y45 Y96	A14-Y38 WeakPolarHBondContact O-CD1 3.48Å; A14-Y38 WeakPolarHBondContact O-CE1 3.15Å; A14-I39 HydrophobicContact CB-CD1 3.95Å; A14-I39 HydrophobicContact CB-CG1 4.07Å; A14-I39 WeakPolarHBondContact O-CG1 3.38Å; A14-Y45 HydrophobicContact CB-CD2 3.57Å; A14-Y45 HydrophobicContact CB-CE2 4Å; A14-Y96 PolarHBondContact N-OH 3.45Å
15	S	97.7	Very high	85.4	Confident	10 Å²	10	72.7 Å²	72.7	7%	0.07	43%	0.434	C	S	.	.	S	Bend	trans	-122.7	165.2	-179.7	70.5	0	0	0	0	110.7	P13 Y96 F104	P13-S15 VanDerWaalsContact C-N 3.27Å; S15-Y96 WeakPolarHBondContact OG-CD1 3.45Å; S15-Y96 VanDerWaalsContact OG-CE1 3.25Å; S15-Y96 WeakPolarHBondContact OG-CE1 3.41Å; S15-F104 VanDerWaalsContact OG-CE1 3.23Å; S15-F104 WeakPolarHBondContact OG-CE1 3.1Å
16	P	98.1	Very high	87.9	Confident	25 Å²	25	71.9 Å²	71.9	16%	0.162	42%	0.42	C	S	.	.			trans	-56.8	168.4	158.6	-20	34.1	0	0	0	111.3	A20 Y38	P16-A20 HydrophobicContact CB-CB 3.78Å; P16-Y38 HydrophobicContact CG-CD2 3.98Å; P16-Y38 HydrophobicContact CG-CE1 4.26Å; P16-Y38 HydrophobicContact CG-CE2 3.52Å
17	P	98.3	Very high	90.4	Very high	90 Å²	90	65.6 Å²	65.6	58%	0.584	38%	0.379	S	S	*	.			trans	-52.7	155.3	163.4	-24.1	35	0	0	0	111.9	D19 A20 C21	P17-D19 VanDerWaalsContact C-N 3.27Å; P17-D19 WeakPolarHBondContact CB-OD1 3.46Å; P17-D19 PolarHBondContact O-N 2.99Å; P17-A20 PolarHBondContact O-N 3.31Å; P17-C21 PolarHBondContact O-N 3.37Å; P17-C21 PolarHBondContact O-SG 3.11Å
18	R	98.5	Very high	92.8	Very high	66 Å²	66	60.2 Å²	60.2	25%	0.249	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-51.4	-44.2	-174.5	-174.4	-167.5	-72.1	-79.8	7.6	112.8	A20 C21 D97 L98 T100 L102 F104	R18-A20 VanDerWaalsContact C-N 3.26Å; R18-A20 PolarHBondContact O-N 3.1Å; R18-C21 PolarHBondContact O-N 2.93Å; R18-D97 PolarHBondContact NH1-O 2.91Å; R18-L98 HydrophobicContact CG-CD2 4.03Å; R18-L98 VanDerWaalsContact NH1-CA 3.35Å; R18-L98 PolarHBondContact NH1-O 2.77Å; R18-T100 PolarHBondContact NH1-O 2.93Å; R18-T100 PolarHBondContact NH2-O 2.97Å; R18-L102 PolarHBondContact NH2-O 3.33Å; R18-F104 HydrophobicContact CB-CB 4.22Å; R18-F104 HydrophobicContact CB-CD1 3.76Å; R18-F104 HydrophobicContact CB-CE1 4.3Å; R18-F104 HydrophobicContact CB-CG 4.07Å; R18-F104 HydrophobicContact CG-CD1 4.42Å; R18-F104 HydrophobicContact CG-CG 4.35Å
19	D	97.8	Very high	95.3	Very high	152 Å²	152	56.5 Å²	56.5	81%	0.813	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-73.6	-14.1	-177.3	60.7	-4.7	0	0	0	114.3	P17	P17-D19 VanDerWaalsContact C-N 3.27Å; P17-D19 WeakPolarHBondContact CB-OD1 3.46Å; P17-D19 PolarHBondContact O-N 2.99Å
20	A	98.3	Very high	97.1	Very high	62 Å²	62	50.2 Å²	50.2	51%	0.512	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-99.7	-3	175.9	0	0	0	0	0	113	P16 P17 R18	P16-A20 HydrophobicContact CB-CB 3.78Å; P17-A20 PolarHBondContact O-N 3.31Å; R18-A20 VanDerWaalsContact C-N 3.26Å; R18-A20 PolarHBondContact O-N 3.1Å
21	C	98.4	Very high	97.8	Very high	16 Å²	16	43.1 Å²	43.1	11%	0.108	24%	0.244	C	C	.	.	S	Bend	trans	-77.6	145.2	176.4	-67	0	0	0	0	111.2	P17 R18 Y23 L35 L98	P17-C21 PolarHBondContact O-N 3.37Å; P17-C21 PolarHBondContact O-SG 3.11Å; R18-C21 PolarHBondContact O-N 2.93Å; C21-Y23 PolarHBondContact O-N 2.89Å; C21-L35 HydrophobicContact CB-CD2 4.42Å; C21-L98 HydrophobicContact CB-CD1 4.26Å; C21-L98 HydrophobicContact CB-CD2 3.69Å
22	V	98.6	Very high	98.1	Very high	74 Å²	74	41.2 Å²	41.2	45%	0.448	24%	0.237	S	C	.	.			trans	-64.8	124.9	167.9	178.7	0	0	0	0	108.3	K34 Y163	V22-K34 HydrophobicContact CB-CB 4.06Å; V22-K34 HydrophobicContact CB-CG 4.19Å; V22-K34 HydrophobicContact CG1-CB 4.35Å; V22-K34 HydrophobicContact CG1-CD 4.34Å; V22-K34 HydrophobicContact CG1-CG 3.95Å; V22-Y163 HydrophobicContact CG1-CE1 3.74Å
23	Y	98.6	Very high	98.2	Very high	88 Å²	88	37.5 Å²	37.5	35%	0.345	22%	0.218	S	C	.	.			trans	-146	140.2	-175.2	175.1	-99.4	0	0	0	112	C21 N31 L98 D99	C21-Y23 PolarHBondContact O-N 2.89Å; Y23-N31 WeakPolarHBondContact CA-OD1 3.21Å; Y23-N31 VanDerWaalsContact CD2-ND2 3.26Å; Y23-N31 WeakPolarHBondContact CD2-ND2 3.28Å; Y23-L98 HydrophobicContact CD2-CB 3.72Å; Y23-L98 HydrophobicContact CD2-CD1 4.17Å; Y23-L98 HydrophobicContact CD2-CG 4.46Å; Y23-L98 HydrophobicContact CE2-CB 3.99Å; Y23-D99 WeakPolarHBondContact CE2-OD1 3.17Å; Y23-D99 PolarHBondContact OH-OD1 2.82Å
24	S	98.3	Very high	98.3	Very high	18 Å²	18	37 Å²	37	13%	0.126	21%	0.211	C	C	.	.			trans	-141.1	126.7	165.3	-63.4	0	0	0	0	108.6	C26 Y27 N31	S24-C26 PolarHBondContact O-N 3.1Å; S24-Y27 PolarHBondContact O-N 3.37Å; S24-N31 PolarHBondContact N-OD1 3.39Å; S24-N31 PolarHBondContact O-ND2 3.11Å
25	S	97.2	Very high	98.4	Very high	55 Å²	55	37 Å²	37	39%	0.385	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	137.8	179.6	-179.8	0	0	0	0	110.5	Y27	S25-Y27 WeakPolarHBondContact O-CD2 3.47Å; S25-Y27 PolarHBondContact O-N 2.7Å
26	C	97.6	Very high	98.5	Very high	35 Å²	35	36.6 Å²	36.6	24%	0.236	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	14.1	-178.4	-54.5	0	0	0	0	115.9	S24 M149 E158	S24-C26 PolarHBondContact O-N 3.1Å; C26-M149 HydrophobicContact CB-CE 3.63Å; C26-E158 HydrophobicContact CB-CB 4.34Å; C26-E158 HydrophobicContact CB-CG 3.96Å
27	Y	98.6	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.213	C	C	.	.			trans	-121.3	44.8	169.3	-62.7	-94	0	0	0	110.2	S24 S25 E29 E30 N31 R146 M149 E158 P159 P160 P161	S24-Y27 PolarHBondContact O-N 3.37Å; S25-Y27 WeakPolarHBondContact O-CD2 3.47Å; S25-Y27 PolarHBondContact O-N 2.7Å; Y27-E29 VanDerWaalsContact CA-OE2 3.26Å; Y27-E29 WeakPolarHBondContact CA-OE2 3.47Å; Y27-E29 PolarHBondContact O-N 3.09Å; Y27-E30 PolarHBondContact O-N 2.96Å; Y27-N31 PolarHBondContact O-N 2.86Å; Y27-N31 PolarHBondContact O-ND2 3.02Å; Y27-N31 PolarHBondContact O-OD1 3.21Å; Y27-R146 HydrophobicContact CE1-CB 4.28Å; Y27-R146 HydrophobicContact CE1-CG 4.13Å; Y27-M149 HydrophobicContact CD1-CG 4.3Å; Y27-M149 HydrophobicContact CE1-CB 3.93Å; Y27-M149 HydrophobicContact CE1-CG 3.56Å; Y27-M149 HydrophobicContact CE2-CE 4Å; Y27-M149 VanDerWaalsContact OH-CB 3.31Å; Y27-M149 WeakPolarHBondContact OH-CB 3.26Å; Y27-E158 HydrophobicContact CE2-CB 4.2Å; Y27-E158 PolarHBondContact OH-O 3.12Å; Y27-P159 VanDerWaalsContact CE2-O 3.27Å; Y27-P159 WeakPolarHBondContact CE2-O 3.19Å; Y27-P160 WeakPolarHBondContact OH-CA 3.41Å; Y27-P161 HydrophobicContact CD1-CG 4.1Å; Y27-P161 HydrophobicContact CD2-CG 4.31Å; Y27-P161 HydrophobicContact CG-CG 3.9Å
28	C	98.7	Very high	98.5	Very high	7 Å²	7	37.5 Å²	37.5	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-34	-175.2	59.7	0	0	0	0	112.7	E30 N31 I32 V82	C28-E30 VanDerWaalsContact C-N 3.34Å; C28-E30 PolarHBondContact O-N 3.32Å; C28-N31 PolarHBondContact O-N 2.94Å; C28-I32 WeakPolarHBondContact O-CG1 3.32Å; C28-I32 PolarHBondContact O-N 2.93Å; C28-V82 HydrophobicContact CB-CB 4.31Å; C28-V82 PolarHBondContact SG-N 2.95Å
29	E	98.9	Very high	98.5	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-41.5	173.2	73.8	-70.9	-179.3	0	0	112.5	Y27 W33 F54 Y80 V82 Y138 F142 H148 L175	Y27-E29 VanDerWaalsContact CA-OE2 3.26Å; Y27-E29 WeakPolarHBondContact CA-OE2 3.47Å; Y27-E29 PolarHBondContact O-N 3.09Å; E29-W33 WeakPolarHBondContact O-CB 3.39Å; E29-W33 PolarHBondContact O-N 3.18Å; E29-F54 HydrophobicContact CB-CE1 4.07Å; E29-F54 HydrophobicContact CB-CZ 3.92Å; E29-Y80 HydrophobicContact CB-CE2 4.33Å; E29-Y80 VanDerWaalsContact CD-OH 3.29Å; E29-Y80 PolarHBondContact OE2-OH 3.35Å; E29-Y80 VanDerWaalsContact OE2-OH 3.09Å; E29-V82 HydrophobicContact CB-CG2 3.96Å; E29-Y138 PolarHBondContact O-OH 2.88Å; E29-F142 HydrophobicContact CB-CE2 4.27Å; E29-F142 HydrophobicContact CB-CZ 3.92Å; E29-F142 HydrophobicContact CG-CE1 4.31Å; E29-F142 HydrophobicContact CG-CE2 4.2Å; E29-F142 HydrophobicContact CG-CZ 3.49Å; E29-F142 VanDerWaalsContact CG-CZ 3.49Å; E29-H148 IonicContact OE1-CE1 2.9Å; E29-H148 IonicContact OE1-NE2 3.41Å; E29-L175 HydrophobicContact CB-CD1 4.21Å; E29-L175 HydrophobicContact CG-CD1 3.99Å
30	E	98.9	Very high	98.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-79.9	-34.2	177.9	-56.7	-163.1	-142.4	0	0	111.7	Y27 C28 I32 W33 K34 F142 R146 Y163 I166	Y27-E30 PolarHBondContact O-N 2.96Å; C28-E30 VanDerWaalsContact C-N 3.34Å; C28-E30 PolarHBondContact O-N 3.32Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 2.9Å; E30-W33 WeakPolarHBondContact O-CB 3.38Å; E30-W33 PolarHBondContact O-N 3.15Å; E30-K34 WeakPolarHBondContact O-CG 3.39Å; E30-K34 PolarHBondContact O-N 3.08Å; E30-F142 HydrophobicContact CG-CE1 4.49Å; E30-R146 WeakPolarHBondContact OE1-CD 3.36Å; E30-R146 VanDerWaalsContact OE1-CG 3.25Å; E30-R146 WeakPolarHBondContact OE1-CG 3.25Å; E30-R146 IonicContact OE1-CZ 3.82Å; E30-R146 IonicContact OE1-NE 2.63Å; E30-R146 PolarHBondContact OE1-NE 3.09Å; E30-R146 IonicContact OE1-NH2 2.75Å; E30-R146 IonicContact OE2-CZ 3.51Å; E30-R146 IonicContact OE2-NE 3.94Å; E30-R146 PolarHBondContact OE2-NE 3.22Å; E30-R146 IonicContact OE2-NH2 3.15Å; E30-R146 PolarHBondContact OE2-NH2 3.35Å; E30-Y163 WeakPolarHBondContact CB-OH 3.19Å; E30-Y163 WeakPolarHBondContact OE2-CE2 3.49Å; E30-Y163 PolarHBondContact OE2-OH 2.9Å; E30-I166 HydrophobicContact CB-CD1 4.11Å; E30-I166 HydrophobicContact CG-CD1 3.97Å
31	N	98.9	Very high	98.5	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-59.9	-46	174.7	-60.7	-25.8	0	0	0	110.9	Y23 S24 Y27 C28 K34 L35 L98	Y23-N31 WeakPolarHBondContact CA-OD1 3.21Å; Y23-N31 VanDerWaalsContact CD2-ND2 3.26Å; Y23-N31 WeakPolarHBondContact CD2-ND2 3.28Å; S24-N31 PolarHBondContact N-OD1 3.39Å; S24-N31 PolarHBondContact O-ND2 3.11Å; Y27-N31 PolarHBondContact O-N 2.86Å; Y27-N31 PolarHBondContact O-ND2 3.02Å; Y27-N31 PolarHBondContact O-OD1 3.21Å; C28-N31 PolarHBondContact O-N 2.94Å; N31-K34 PolarHBondContact O-N 3.14Å; N31-L35 PolarHBondContact O-N 3.4Å; N31-L35 VanDerWaalsContact O-N 3.09Å; N31-L98 HydrophobicContact CB-CD1 3.83Å
32	I	98.9	Very high	98.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-69.6	-35	175.6	-64.5	-45.7	0	0	0	111.7	C28 E30 K34 L35 C36 A52 V82 L84 Y138	C28-I32 WeakPolarHBondContact O-CG1 3.32Å; C28-I32 PolarHBondContact O-N 2.93Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 2.9Å; I32-K34 VanDerWaalsContact C-N 3.28Å; I32-K34 PolarHBondContact O-N 3.2Å; I32-L35 HydrophobicContact CD1-CD1 3.88Å; I32-L35 PolarHBondContact O-N 3.39Å; I32-C36 PolarHBondContact O-N 2.94Å; I32-C36 PolarHBondContact O-SG 3.42Å; I32-C36 VanDerWaalsContact O-SG 3.37Å; I32-A52 HydrophobicContact CG2-CB 3.96Å; I32-V82 HydrophobicContact CB-CG1 3.92Å; I32-V82 HydrophobicContact CG1-CB 4.14Å; I32-V82 HydrophobicContact CG1-CG1 3.86Å; I32-V82 WeakPolarHBondContact CG1-O 3.36Å; I32-V82 HydrophobicContact CG2-CG1 4.05Å; I32-L84 HydrophobicContact CD1-CB 4.06Å; I32-L84 HydrophobicContact CG2-CB 4.03Å; I32-L84 HydrophobicContact CG2-CD1 4.35Å; I32-Y138 HydrophobicContact CG2-CE1 4.4Å
33	W	98.9	Very high	98.1	Very high	32 Å²	32	43.9 Å²	43.9	12%	0.121	22%	0.217	C	C	.	.	H	α-helix	trans	-59.8	-41.6	172.7	-170	100.9	0	0	0	111.2	E29 E30 C36 E37 Y138 L139 F142 I166	E29-W33 WeakPolarHBondContact O-CB 3.39Å; E29-W33 PolarHBondContact O-N 3.18Å; E30-W33 WeakPolarHBondContact O-CB 3.38Å; E30-W33 PolarHBondContact O-N 3.15Å; W33-C36 WeakPolarHBondContact O-CB 3.31Å; W33-C36 PolarHBondContact O-N 2.76Å; W33-E37 HydrophobicContact CE3-CB 4.17Å; W33-E37 HydrophobicContact CH2-CB 4.37Å; W33-E37 HydrophobicContact CH2-CG 4.46Å; W33-E37 WeakPolarHBondContact CH2-OE1 3.31Å; W33-E37 HydrophobicContact CZ3-CB 3.86Å; W33-E37 HydrophobicContact CZ3-CG 4.15Å; W33-E37 WeakPolarHBondContact CZ3-OE1 3.48Å; W33-E37 WeakPolarHBondContact CZ3-OE2 3.48Å; W33-E37 PolarHBondContact O-N 2.96Å; W33-Y138 HydrophobicContact CB-CD1 4.41Å; W33-Y138 HydrophobicContact CB-CE1 3.64Å; W33-Y138 AromaticContact CD1-CE1 3.86Å; W33-Y138 HydrophobicContact CG-CE1 4.14Å; W33-L139 HydrophobicContact CD2-CD2 3.72Å; W33-L139 VanDerWaalsContact CE2-CD2 3.43Å; W33-L139 HydrophobicContact CE3-CD2 4.38Å; W33-L139 HydrophobicContact CG-CD2 3.98Å; W33-L139 HydrophobicContact CH2-CD2 4.46Å; W33-L139 HydrophobicContact CZ2-CD2 3.85Å; W33-F142 AromaticContact CD1-CD1 3.69Å; W33-F142 HydrophobicContact CG-CD1 4.38Å; W33-I166 HydrophobicContact CB-CD1 3.99Å; W33-I166 HydrophobicContact CD2-CD1 3.55Å; W33-I166 HydrophobicContact CD2-CG1 4.23Å; W33-I166 HydrophobicContact CD2-CG2 4.35Å; W33-I166 HydrophobicContact CE3-CD1 3.72Å; W33-I166 HydrophobicContact CE3-CG1 4.3Å; W33-I166 HydrophobicContact CG-CD1 3.68Å; W33-I166 HydrophobicContact CZ2-CG2 4.02Å; W33-I166 HydrophobicContact CZ3-CD1 4.42Å
34	K	98.9	Very high	98	Very high	40 Å²	40	44 Å²	44	17%	0.174	22%	0.221	C	C	.	.	H	α-helix	trans	-67.2	-34.2	177	-72.4	-73.9	164.9	-168.9	0	113	V22 E30 N31 I32 E37 Y38 Y163	V22-K34 HydrophobicContact CB-CB 4.06Å; V22-K34 HydrophobicContact CB-CG 4.19Å; V22-K34 HydrophobicContact CG1-CB 4.35Å; V22-K34 HydrophobicContact CG1-CD 4.34Å; V22-K34 HydrophobicContact CG1-CG 3.95Å; E30-K34 WeakPolarHBondContact O-CG 3.39Å; E30-K34 PolarHBondContact O-N 3.08Å; N31-K34 PolarHBondContact O-N 3.14Å; I32-K34 VanDerWaalsContact C-N 3.28Å; I32-K34 PolarHBondContact O-N 3.2Å; K34-E37 WeakPolarHBondContact CD-OE2 3.41Å; K34-E37 IonicContact NZ-OE1 3.56Å; K34-E37 IonicContact NZ-OE2 3.45Å; K34-E37 PolarHBondContact NZ-OE2 3.1Å; K34-E37 PolarHBondContact O-N 3.44Å; K34-Y38 WeakPolarHBondContact O-CB 3.42Å; K34-Y38 PolarHBondContact O-N 3.14Å; K34-Y163 HydrophobicContact CG-CE1 4.5Å
35	L	98.8	Very high	97.9	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-43.5	169.9	-70.9	-179.4	0	0	0	111.9	C21 N31 I32 E37 Y38 I39 L84 L98 F104	C21-L35 HydrophobicContact CB-CD2 4.42Å; N31-L35 PolarHBondContact O-N 3.4Å; N31-L35 VanDerWaalsContact O-N 3.09Å; I32-L35 HydrophobicContact CD1-CD1 3.88Å; I32-L35 PolarHBondContact O-N 3.39Å; L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 2.78Å; L35-Y38 WeakPolarHBondContact O-CB 3.49Å; L35-Y38 PolarHBondContact O-N 3.26Å; L35-I39 WeakPolarHBondContact O-CG1 3.47Å; L35-I39 PolarHBondContact O-N 2.91Å; L35-L84 HydrophobicContact CB-CD2 4.32Å; L35-L98 HydrophobicContact CD1-CD1 4.25Å; L35-F104 HydrophobicContact CD1-CE2 4.5Å; L35-F104 HydrophobicContact CD1-CZ 4.25Å
36	C	98.8	Very high	97.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-42.7	174.1	-69.1	0	0	0	0	111.8	I32 W33 I39 K40 L84 A135 L139	I32-C36 PolarHBondContact O-N 2.94Å; I32-C36 PolarHBondContact O-SG 3.42Å; I32-C36 VanDerWaalsContact O-SG 3.37Å; W33-C36 WeakPolarHBondContact O-CB 3.31Å; W33-C36 PolarHBondContact O-N 2.76Å; C36-I39 PolarHBondContact O-N 3.26Å; C36-K40 WeakPolarHBondContact O-CB 3.31Å; C36-K40 PolarHBondContact O-N 3.23Å; C36-L84 WeakPolarHBondContact SG-CD1 3.4Å; C36-A135 HydrophobicContact CB-CB 4.2Å; C36-A135 VanDerWaalsContact SG-CB 3.6Å; C36-L139 HydrophobicContact CB-CD1 4.13Å; C36-L139 HydrophobicContact CB-CD2 3.72Å; C36-L139 HydrophobicContact CB-CG 3.85Å
37	E	98.8	Very high	97.8	Very high	62 Å²	62	45 Å²	45	29%	0.29	22%	0.218	S	C	.	.	H	α-helix	trans	-62.1	-44.7	176	177.6	178.1	-123	0	0	111.2	W33 K34 L35 K40 N41 L139	W33-E37 HydrophobicContact CE3-CB 4.17Å; W33-E37 HydrophobicContact CH2-CB 4.37Å; W33-E37 HydrophobicContact CH2-CG 4.46Å; W33-E37 WeakPolarHBondContact CH2-OE1 3.31Å; W33-E37 HydrophobicContact CZ3-CB 3.86Å; W33-E37 HydrophobicContact CZ3-CG 4.15Å; W33-E37 WeakPolarHBondContact CZ3-OE1 3.48Å; W33-E37 WeakPolarHBondContact CZ3-OE2 3.48Å; W33-E37 PolarHBondContact O-N 2.96Å; K34-E37 WeakPolarHBondContact CD-OE2 3.41Å; K34-E37 IonicContact NZ-OE1 3.56Å; K34-E37 IonicContact NZ-OE2 3.45Å; K34-E37 PolarHBondContact NZ-OE2 3.1Å; K34-E37 PolarHBondContact O-N 3.44Å; L35-E37 VanDerWaalsContact C-N 3.33Å; L35-E37 PolarHBondContact O-N 2.78Å; E37-K40 PolarHBondContact O-N 3.29Å; E37-N41 VanDerWaalsContact O-CG 3.27Å; E37-N41 PolarHBondContact O-N 2.61Å; E37-N41 VanDerWaalsContact O-N 3.14Å; E37-N41 PolarHBondContact O-ND2 3.26Å; E37-L139 HydrophobicContact CB-CD2 4.29Å
38	Y	98.7	Very high	97.7	Very high	72 Å²	72	49.5 Å²	49.5	28%	0.282	24%	0.239	S	C	.	.	H	α-helix	trans	-56.7	-52.8	175.1	178.5	-87	0	0	0	110.9	A14 P16 K34 L35 K40 N41 H42	A14-Y38 WeakPolarHBondContact O-CD1 3.48Å; A14-Y38 WeakPolarHBondContact O-CE1 3.15Å; P16-Y38 HydrophobicContact CG-CD2 3.98Å; P16-Y38 HydrophobicContact CG-CE1 4.26Å; P16-Y38 HydrophobicContact CG-CE2 3.52Å; K34-Y38 WeakPolarHBondContact O-CB 3.42Å; K34-Y38 PolarHBondContact O-N 3.14Å; L35-Y38 WeakPolarHBondContact O-CB 3.49Å; L35-Y38 PolarHBondContact O-N 3.26Å; Y38-K40 VanDerWaalsContact C-N 3.34Å; Y38-K40 PolarHBondContact O-N 3.46Å; Y38-N41 PolarHBondContact O-N 2.82Å; Y38-N41 VanDerWaalsContact O-N 3.08Å; Y38-H42 AromaticContact CD1-ND1 3.93Å; Y38-H42 AromaticContact CD2-CE1 3.5Å; Y38-H42 AromaticContact CD2-ND1 3.86Å; Y38-H42 AromaticContact CE1-ND1 3.81Å; Y38-H42 AromaticContact CE2-CE1 3.17Å; Y38-H42 WeakPolarHBondContact CE2-CE1 3.34Å; Y38-H42 AromaticContact CE2-ND1 3.76Å; Y38-H42 AromaticContact CE2-NE2 3.63Å; Y38-H42 AromaticContact CG-ND1 3.95Å; Y38-H42 AromaticContact CZ-CE1 3.46Å; Y38-H42 VanDerWaalsContact CZ-CE1 3.46Å; Y38-H42 AromaticContact CZ-ND1 3.73Å; Y38-H42 AromaticContact CZ-NE2 3.65Å; Y38-H42 PolarHBondContact O-N 2.75Å; Y38-H42 PolarHBondContact O-ND1 3.47Å
39	I	98.4	Very high	97.7	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-44.2	-178.9	-67.1	163.7	0	0	0	110.9	A14 L35 C36 N41 H42 L47 L84	A14-I39 HydrophobicContact CB-CD1 3.95Å; A14-I39 HydrophobicContact CB-CG1 4.07Å; A14-I39 WeakPolarHBondContact O-CG1 3.38Å; L35-I39 WeakPolarHBondContact O-CG1 3.47Å; L35-I39 PolarHBondContact O-N 2.91Å; C36-I39 PolarHBondContact O-N 3.26Å; I39-N41 PolarHBondContact O-N 3.39Å; I39-H42 PolarHBondContact O-N 2.85Å; I39-H42 VanDerWaalsContact O-N 3.1Å; I39-L47 HydrophobicContact CB-CD1 4.36Å; I39-L47 HydrophobicContact CG2-CD1 4.11Å; I39-L84 HydrophobicContact CD1-CD2 3.58Å
40	K	98.3	Very high	97.7	Very high	128 Å²	128	51.3 Å²	51.3	56%	0.557	25%	0.247	S	C	*	.	H	α-helix	trans	-56.4	-35.5	177	179.6	-178.4	169.7	-169.4	0	112.7	C36 E37 Y38 H42 L47 L139	C36-K40 WeakPolarHBondContact O-CB 3.31Å; C36-K40 PolarHBondContact O-N 3.23Å; E37-K40 PolarHBondContact O-N 3.29Å; Y38-K40 VanDerWaalsContact C-N 3.34Å; Y38-K40 PolarHBondContact O-N 3.46Å; K40-H42 VanDerWaalsContact C-N 3.32Å; K40-L47 HydrophobicContact CB-CD1 4.18Å; K40-L47 HydrophobicContact CB-CD2 3.95Å; K40-L47 HydrophobicContact CD-CD2 4.27Å; K40-L47 HydrophobicContact CG-CD2 4.05Å; K40-L139 HydrophobicContact CB-CD1 3.99Å; K40-L139 HydrophobicContact CD-CD1 3.6Å; K40-L139 HydrophobicContact CG-CD1 4.38Å
41	N	98.1	Very high	97.7	Very high	111 Å²	111	53.7 Å²	53.7	59%	0.594	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	3.8	-176.1	-65.5	-25	0	0	0	113.2	E37 Y38 I39	E37-N41 VanDerWaalsContact O-CG 3.27Å; E37-N41 PolarHBondContact O-N 2.61Å; E37-N41 VanDerWaalsContact O-N 3.14Å; E37-N41 PolarHBondContact O-ND2 3.26Å; Y38-N41 PolarHBondContact O-N 2.82Å; Y38-N41 VanDerWaalsContact O-N 3.08Å; I39-N41 PolarHBondContact O-N 3.39Å
42	H	96.2	Very high	97.7	Very high	81 Å²	81	53.6 Å²	53.6	38%	0.375	26%	0.256	S	S	.	.	S	Bend	trans	-127.6	132.5	177.7	-67.9	78.2	0	0	0	110.9	Y38 I39 K40 Q44	Y38-H42 AromaticContact CD1-ND1 3.93Å; Y38-H42 AromaticContact CD2-CE1 3.5Å; Y38-H42 AromaticContact CD2-ND1 3.86Å; Y38-H42 AromaticContact CE1-ND1 3.81Å; Y38-H42 AromaticContact CE2-CE1 3.17Å; Y38-H42 WeakPolarHBondContact CE2-CE1 3.34Å; Y38-H42 AromaticContact CE2-ND1 3.76Å; Y38-H42 AromaticContact CE2-NE2 3.63Å; Y38-H42 AromaticContact CG-ND1 3.95Å; Y38-H42 AromaticContact CZ-CE1 3.46Å; Y38-H42 VanDerWaalsContact CZ-CE1 3.46Å; Y38-H42 AromaticContact CZ-ND1 3.73Å; Y38-H42 AromaticContact CZ-NE2 3.65Å; Y38-H42 PolarHBondContact O-N 2.75Å; Y38-H42 PolarHBondContact O-ND1 3.47Å; I39-H42 PolarHBondContact O-N 2.85Å; I39-H42 VanDerWaalsContact O-N 3.1Å; K40-H42 VanDerWaalsContact C-N 3.32Å; H42-Q44 PolarHBondContact O-N 3.05Å
43	D	91.9	Very high	97.7	Very high	179 Å²	179	53.5 Å²	53.5	96%	0.957	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	26.1	-176.4	-62.9	-42.4	0	0	0	114
44	Q	95.6	Very high	97.7	Very high	92 Å²	92	52 Å²	52	43%	0.43	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-42.9	-177.5	-172.6	-178.6	-17.6	0	0	112.6	P13 H42	P13-Q44 PolarHBondContact O-NE2 2.84Å; P13-Q44 PolarHBondContact O-OE1 2.82Å; H42-Q44 PolarHBondContact O-N 3.05Å
45	Y	96.4	Very high	97.7	Very high	45 Å²	45	50.1 Å²	50.1	18%	0.176	24%	0.242	C	C	.	.	S	Bend	trans	-138.3	143.9	-179	-67.1	-66.2	0	0	0	110.9	Q12 A14 L47 H86	Q12-Y45 VanDerWaalsContact O-CE2 3.3Å; Q12-Y45 WeakPolarHBondContact O-CE2 3.27Å; Q12-Y45 PolarHBondContact O-OH 2.88Å; A14-Y45 HydrophobicContact CB-CD2 3.57Å; A14-Y45 HydrophobicContact CB-CE2 4Å; Y45-L47 PolarHBondContact O-N 2.81Å; Y45-H86 AromaticContact CD1-CE1 3.67Å; Y45-H86 AromaticContact CD1-NE2 3.86Å; Y45-H86 AromaticContact CD2-CE1 3.78Å; Y45-H86 AromaticContact CE1-CE1 3.92Å; Y45-H86 AromaticContact CE2-CE1 3.97Å; Y45-H86 AromaticContact CG-CE1 3.63Å; Y45-H86 AromaticContact CG-NE2 3.76Å
46	P	96.7	Very high	97.7	Very high	63 Å²	63	49.9 Å²	49.9	41%	0.409	24%	0.241	S	C	.	.			trans	-60.6	130.1	171.4	-20.4	32.3	0	0	0	111	Q48 E49	P46-Q48 PolarHBondContact O-N 2.81Å; P46-E49 HydrophobicContact CB-CG 4.23Å; P46-E49 HydrophobicContact CG-CG 4.37Å; P46-E49 WeakPolarHBondContact CG-OE1 3.38Å; P46-E49 WeakPolarHBondContact O-CB 3.24Å; P46-E49 PolarHBondContact O-N 2.88Å
47	L	97.6	Very high	97.7	Very high	20 Å²	20	50.2 Å²	50.2	11%	0.105	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-57.1	-25.6	178	-173.3	64.9	0	0	0	112.8	I39 K40 Y45 E49 C50 A135 D136 L139	I39-L47 HydrophobicContact CB-CD1 4.36Å; I39-L47 HydrophobicContact CG2-CD1 4.11Å; K40-L47 HydrophobicContact CB-CD1 4.18Å; K40-L47 HydrophobicContact CB-CD2 3.95Å; K40-L47 HydrophobicContact CD-CD2 4.27Å; K40-L47 HydrophobicContact CG-CD2 4.05Å; Y45-L47 PolarHBondContact O-N 2.81Å; L47-E49 PolarHBondContact O-N 2.92Å; L47-C50 WeakPolarHBondContact O-CB 3.27Å; L47-C50 PolarHBondContact O-N 3.1Å; L47-C50 VanDerWaalsContact O-N 3.09Å; L47-A135 HydrophobicContact CD1-CB 3.55Å; L47-A135 HydrophobicContact CG-CB 3.91Å; L47-D136 HydrophobicContact CD2-CB 3.84Å; L47-D136 HydrophobicContact CG-CB 4.36Å; L47-L139 HydrophobicContact CD2-CD1 4.02Å
48	Q	96.3	Very high	97.6	Very high	95 Å²	95	53.7 Å²	53.7	44%	0.444	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-71.6	-13.9	179.2	-61.5	79.2	13.4	0	0	113.8	P46	P46-Q48 PolarHBondContact O-N 2.81Å
49	E	97.4	Very high	97.6	Very high	45 Å²	45	57.9 Å²	57.9	21%	0.21	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-81.3	-8.6	171.3	-66.2	-179.9	-169.9	0	0	111.8	P46 L47 Y51 H86 V87	P46-E49 HydrophobicContact CB-CG 4.23Å; P46-E49 HydrophobicContact CG-CG 4.37Å; P46-E49 WeakPolarHBondContact CG-OE1 3.38Å; P46-E49 WeakPolarHBondContact O-CB 3.24Å; P46-E49 PolarHBondContact O-N 2.88Å; L47-E49 PolarHBondContact O-N 2.92Å; E49-Y51 WeakPolarHBondContact O-CE2 3.36Å; E49-H86 IonicContact OE2-NE2 3.58Å; E49-V87 PolarHBondContact O-N 2.81Å
50	C	98.6	Very high	97.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	146	-175.4	-64.1	0	0	0	0	112.4	L47 L84 L85 H86 A135	L47-C50 WeakPolarHBondContact O-CB 3.27Å; L47-C50 PolarHBondContact O-N 3.1Å; L47-C50 VanDerWaalsContact O-N 3.09Å; C50-L84 HydrophobicContact CB-CD1 4.2Å; C50-L85 CarbonylContact C-O 3.57Å; C50-L85 WeakPolarHBondContact CA-O 3.48Å; C50-H86 VanDerWaalsContact SG-CD2 3.53Å; C50-A135 HydrophobicContact CB-CB 3.8Å; C50-A135 VanDerWaalsContact O-CB 3.31Å; C50-A135 WeakPolarHBondContact O-CB 3.33Å; C50-A135 PolarHBondContact O-N 2.87Å
51	Y	98.9	Very high	97.6	Very high	49 Å²	49	59 Å²	59	19%	0.192	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	133.8	-177.6	-54.9	-100.7	0	0	0	110.5	E49 L84 L85 V87 V132 I133 R134	E49-Y51 WeakPolarHBondContact O-CE2 3.36Å; Y51-L84 CarbonylContact O-C 3.56Å; Y51-L84 WeakPolarHBondContact O-CA 3.29Å; Y51-L85 HydrophobicContact CD2-CD2 4.44Å; Y51-L85 HydrophobicContact CD2-CG 4.45Å; Y51-L85 PolarHBondContact N-O 2.57Å; Y51-L85 PolarHBondContact O-N 3.11Å; Y51-V87 HydrophobicContact CD2-CG2 4.13Å; Y51-V87 HydrophobicContact CE2-CB 4.34Å; Y51-V87 HydrophobicContact CE2-CG2 3.79Å; Y51-V132 HydrophobicContact CD1-CG1 3.64Å; Y51-V132 HydrophobicContact CG-CG1 3.89Å; Y51-I133 CarbonylContact C-O 3.58Å; Y51-I133 WeakPolarHBondContact CA-O 3.43Å; Y51-I133 WeakPolarHBondContact CB-O 3.26Å; Y51-R134 HydrophobicContact CD1-CB 4.32Å; Y51-R134 HydrophobicContact CD1-CG 3.76Å; Y51-R134 HydrophobicContact CE1-CB 4.37Å; Y51-R134 HydrophobicContact CE1-CG 3.37Å
52	A	98.9	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	131.1	161.2	0	0	0	0	0	108.4	I32 I133 Y138	I32-A52 HydrophobicContact CG2-CB 3.96Å; A52-I133 PolarHBondContact N-O 3.49Å; A52-I133 WeakPolarHBondContact O-CD1 3.21Å; A52-I133 PolarHBondContact O-N 3.36Å; A52-Y138 HydrophobicContact CB-CD1 3.57Å; A52-Y138 HydrophobicContact CB-CD2 4.08Å; A52-Y138 HydrophobicContact CB-CE1 3.91Å; A52-Y138 HydrophobicContact CB-CE2 4.41Å; A52-Y138 HydrophobicContact CB-CG 3.66Å
53	V	98.9	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	105.6	-179.8	-175.6	0	0	0	0	108.5	I55 V82 V83 L85 F130 R131 V132 F196	V53-I55 HydrophobicContact CG1-CG1 4.27Å; V53-V82 WeakPolarHBondContact O-CA 3.39Å; V53-V83 HydrophobicContact CB-CG2 3.89Å; V53-V83 HydrophobicContact CG1-CG2 4.46Å; V53-V83 PolarHBondContact N-O 3.37Å; V53-V83 PolarHBondContact O-N 3.07Å; V53-L85 HydrophobicContact CG2-CB 3.66Å; V53-L85 HydrophobicContact CG2-CD2 4.3Å; V53-F130 HydrophobicContact CG1-CB 4.23Å; V53-F130 HydrophobicContact CG1-CD1 4Å; V53-R131 CarbonylContact C-O 3.59Å; V53-R131 WeakPolarHBondContact CA-O 3.42Å; V53-V132 HydrophobicContact CG1-CG2 4.2Å; V53-V132 HydrophobicContact CG2-CG1 4.32Å; V53-V132 HydrophobicContact CG2-CG2 4.22Å; V53-F196 HydrophobicContact CG1-CE2 3.99Å; V53-F196 HydrophobicContact CG1-CZ 4.1Å; V53-F196 HydrophobicContact CG2-CE2 4.31Å; V53-F196 HydrophobicContact CG2-CZ 4.47Å
54	F	98.9	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	132.7	170.1	-78.1	-109.9	0	0	0	108.8	E29 Y80 V82 F130 R131 I133 Y138 F142 L175 F178 I179 M181	E29-F54 HydrophobicContact CB-CE1 4.07Å; E29-F54 HydrophobicContact CB-CZ 3.92Å; F54-Y80 HydrophobicContact CD1-CD2 4.14Å; F54-Y80 HydrophobicContact CE1-CD2 4.32Å; F54-Y80 HydrophobicContact CE1-CE2 4.31Å; F54-V82 HydrophobicContact CD1-CG2 3.5Å; F54-V82 HydrophobicContact CD2-CG1 3.92Å; F54-V82 HydrophobicContact CD2-CG2 4.15Å; F54-V82 HydrophobicContact CE1-CG2 3.44Å; F54-V82 VanDerWaalsContact CE1-CG2 3.44Å; F54-V82 HydrophobicContact CE2-CG1 3.83Å; F54-V82 HydrophobicContact CE2-CG2 4.1Å; F54-V82 HydrophobicContact CG-CG1 4.36Å; F54-V82 HydrophobicContact CG-CG2 3.86Å; F54-V82 HydrophobicContact CZ-CG1 4.21Å; F54-V82 HydrophobicContact CZ-CG2 3.76Å; F54-F130 CarbonylContact O-C 3.56Å; F54-F130 WeakPolarHBondContact O-CA 3.34Å; F54-R131 HydrophobicContact CB-CB 4.21Å; F54-R131 PolarHBondContact N-O 3.46Å; F54-R131 PolarHBondContact O-N 3Å; F54-I133 HydrophobicContact CD2-CD1 3.65Å; F54-I133 HydrophobicContact CE2-CD1 4.2Å; F54-Y138 HydrophobicContact CE2-CD2 4.28Å; F54-Y138 AromaticContact CE2-CE2 3.5Å; F54-Y138 HydrophobicContact CE2-CE2 3.5Å; F54-Y138 VanDerWaalsContact CE2-CE2 3.5Å; F54-Y138 AromaticContact CE2-CZ 3.86Å; F54-Y138 AromaticContact CZ-CE2 3.79Å; F54-Y138 HydrophobicContact CZ-CE2 3.79Å; F54-F142 HydrophobicContact CZ-CE2 4.25Å; F54-L175 HydrophobicContact CE1-CD1 3.81Å; F54-L175 HydrophobicContact CZ-CD1 4.42Å; F54-F178 HydrophobicContact CD1-CB 3.84Å; F54-F178 HydrophobicContact CD2-CB 4.15Å; F54-F178 HydrophobicContact CD2-CD1 4.43Å; F54-F178 HydrophobicContact CE1-CB 3.58Å; F54-F178 HydrophobicContact CE2-CB 3.92Å; F54-F178 AromaticContact CE2-CD1 3.96Å; F54-F178 HydrophobicContact CE2-CD1 3.96Å; F54-F178 HydrophobicContact CE2-CG 4.25Å; F54-F178 HydrophobicContact CG-CB 4.13Å; F54-F178 HydrophobicContact CZ-CB 3.62Å; F54-F178 HydrophobicContact CZ-CD1 4.27Å; F54-F178 HydrophobicContact CZ-CG 4.12Å; F54-I179 HydrophobicContact CD1-CG1 4.34Å; F54-M181 HydrophobicContact CB-CE 4.05Å
55	I	98.9	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.1	-178.2	-43.5	167.8	0	0	0	106.2	V53 I62 I64 Y80 H81 V83 F116 R128 K129 F130	V53-I55 HydrophobicContact CG1-CG1 4.27Å; I55-I62 HydrophobicContact CB-CD1 3.79Å; I55-I62 HydrophobicContact CG2-CD1 3.56Å; I55-I62 WeakPolarHBondContact O-CD1 3.41Å; I55-I64 HydrophobicContact CD1-CD1 4.18Å; I55-Y80 CarbonylContact O-C 3.59Å; I55-Y80 WeakPolarHBondContact O-CA 3.41Å; I55-Y80 WeakPolarHBondContact O-CB 3.43Å; I55-H81 PolarHBondContact N-O 2.8Å; I55-H81 PolarHBondContact O-N 3.38Å; I55-V83 HydrophobicContact CD1-CG1 4.32Å; I55-V83 HydrophobicContact CD1-CG2 4.25Å; I55-F116 HydrophobicContact CD1-CE1 3.67Å; I55-F116 HydrophobicContact CD1-CZ 3.53Å; I55-R128 HydrophobicContact CG2-CB 4.09Å; I55-R128 HydrophobicContact CG2-CG 4.29Å; I55-K129 WeakPolarHBondContact CA-O 3.22Å; I55-F130 HydrophobicContact CB-CE1 4.48Å; I55-F130 HydrophobicContact CD1-CE1 4.27Å; I55-F130 HydrophobicContact CG1-CD1 3.95Å; I55-F130 HydrophobicContact CG1-CE1 4.04Å; I55-F130 HydrophobicContact CG2-CD1 4.06Å; I55-F130 HydrophobicContact CG2-CE1 3.69Å; I55-F130 HydrophobicContact CG2-CZ 4.18Å
56	S	98.9	Very high	98.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	-168.1	175.7	-165.7	0	0	0	0	109.5	D79 K129	S56-D79 PolarHBondContact OG-O 3.04Å; S56-K129 PolarHBondContact N-O 3.34Å; S56-K129 VanDerWaalsContact N-O 3.14Å; S56-K129 PolarHBondContact O-N 3.33Å
57	N	98.6	Very high	98.3	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.032	16%	0.16	C	C	.	.			trans	-155.6	-179.8	168.2	60.6	24.5	0	0	0	109.8	R59 K60 M61 I62 Q125 R127	N57-R59 PolarHBondContact O-N 3.33Å; N57-R59 VanDerWaalsContact O-N 3.11Å; N57-R59 PolarHBondContact OD1-N 2.96Å; N57-R59 VanDerWaalsContact OD1-N 3.12Å; N57-K60 PolarHBondContact O-N 3.13Å; N57-K60 PolarHBondContact OD1-N 3.01Å; N57-M61 PolarHBondContact ND2-O 2.94Å; N57-M61 PolarHBondContact OD1-N 2.75Å; N57-I62 HydrophobicContact CB-CG2 4.17Å; N57-I62 WeakPolarHBondContact ND2-CG2 3.33Å; N57-Q125 PolarHBondContact ND2-O 2.86Å; N57-Q125 VanDerWaalsContact ND2-O 3.09Å; N57-R127 VanDerWaalsContact CB-O 3.28Å; N57-R127 WeakPolarHBondContact CB-O 3.07Å; N57-R127 PolarHBondContact ND2-O 2.79Å
58	E	98.3	Very high	98.2	Very high	136 Å²	136	39.1 Å²	39.1	64%	0.636	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.1	-178	-63.4	78.2	-174.9	0	0	112.9	K129	E58-K129 WeakPolarHBondContact OE1-CE 3.13Å; E58-K129 IonicContact OE1-NZ 3.69Å; E58-K129 PolarHBondContact OE1-NZ 3.22Å
59	R	98.3	Very high	98.1	Very high	159 Å²	159	38.5 Å²	38.5	60%	0.6	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-7.9	179.9	-67.1	-61.1	-175.2	178.3	-2	113.2	N57 M61 Q125	N57-R59 PolarHBondContact O-N 3.33Å; N57-R59 VanDerWaalsContact O-N 3.11Å; N57-R59 PolarHBondContact OD1-N 2.96Å; N57-R59 VanDerWaalsContact OD1-N 3.12Å; R59-M61 HydrophobicContact CB-CB 4.47Å; R59-M61 HydrophobicContact CB-CE 3.88Å; R59-M61 HydrophobicContact CG-CE 4.45Å; R59-M61 PolarHBondContact O-N 3.26Å; R59-Q125 HydrophobicContact CG-CB 4.35Å
60	K	98.4	Very high	97.9	Very high	88 Å²	88	43 Å²	43	38%	0.383	20%	0.198	S	C	.	.	S	Bend	trans	47.2	52.4	-170.5	-59.7	-174.1	176.7	-168.3	0	110.2	N57 D79 I179	N57-K60 PolarHBondContact O-N 3.13Å; N57-K60 PolarHBondContact OD1-N 3.01Å; K60-D79 VanDerWaalsContact CA-O 3.31Å; K60-D79 WeakPolarHBondContact CA-O 3.36Å; K60-D79 HydrophobicContact CB-CB 3.96Å; K60-D79 WeakPolarHBondContact CB-O 3.49Å; K60-D79 VanDerWaalsContact O-CA 3.27Å; K60-D79 WeakPolarHBondContact O-CA 3.47Å; K60-I179 HydrophobicContact CD-CG2 4.38Å
61	M	98.4	Very high	96.9	Very high	68 Å²	68	47.9 Å²	47.9	34%	0.335	23%	0.23	S	C	.	.			trans	-145.1	95.7	175.6	-68.7	-169.4	-64.4	0	0	107.8	N57 R59 I77 W78 F126	N57-M61 PolarHBondContact ND2-O 2.94Å; N57-M61 PolarHBondContact OD1-N 2.75Å; R59-M61 HydrophobicContact CB-CB 4.47Å; R59-M61 HydrophobicContact CB-CE 3.88Å; R59-M61 HydrophobicContact CG-CE 4.45Å; R59-M61 PolarHBondContact O-N 3.26Å; M61-I77 HydrophobicContact CB-CG2 4.06Å; M61-I77 HydrophobicContact CG-CG2 4.45Å; M61-W78 CarbonylContact C-O 3.31Å; M61-W78 WeakPolarHBondContact CA-O 3.45Å; M61-F126 HydrophobicContact CB-CD1 3.89Å; M61-F126 HydrophobicContact CB-CE1 3.91Å; M61-F126 HydrophobicContact CE-CE1 4.06Å; M61-F126 WeakPolarHBondContact O-CA 3.29Å; M61-F126 WeakPolarHBondContact O-CD1 3.26Å; M61-F126 HydrophobicContact SD-CE1 4.09Å
62	I	98.5	Very high	96.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	128.9	-179.6	51	153.2	0	0	0	110.6	I55 N57 I64 I77 W78 H81 R128	I55-I62 HydrophobicContact CB-CD1 3.79Å; I55-I62 HydrophobicContact CG2-CD1 3.56Å; I55-I62 WeakPolarHBondContact O-CD1 3.41Å; N57-I62 HydrophobicContact CB-CG2 4.17Å; N57-I62 WeakPolarHBondContact ND2-CG2 3.33Å; I62-I64 HydrophobicContact CD1-CD1 4.01Å; I62-I64 HydrophobicContact CD1-CG1 4.31Å; I62-I77 WeakPolarHBondContact O-CA 3.4Å; I62-W78 HydrophobicContact CD1-CB 4.29Å; I62-W78 HydrophobicContact CG1-CB 3.99Å; I62-W78 VanDerWaalsContact CG1-O 3.29Å; I62-W78 WeakPolarHBondContact CG1-O 3.45Å; I62-W78 PolarHBondContact N-O 3.24Å; I62-W78 PolarHBondContact O-N 3.09Å; I62-H81 HydrophobicContact CD1-CB 4.46Å; I62-R128 HydrophobicContact CB-CG 3.89Å; I62-R128 HydrophobicContact CG2-CB 4.38Å; I62-R128 HydrophobicContact CG2-CG 3.82Å
63	P	98.3	Very high	95.5	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.032	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.8	173.9	32.1	-32	0	0	0	110	W65 P75 V76 I77 I122 F126	P63-W65 HydrophobicContact CB-CE3 4.38Å; P63-W65 HydrophobicContact CB-CH2 3.8Å; P63-W65 HydrophobicContact CB-CZ3 3.63Å; P63-W65 HydrophobicContact CG-CH2 4.1Å; P63-W65 HydrophobicContact CG-CZ3 3.88Å; P63-P75 HydrophobicContact CB-CB 3.69Å; P63-P75 HydrophobicContact CB-CG 4.04Å; P63-V76 WeakPolarHBondContact CA-O 3.17Å; P63-I77 HydrophobicContact CB-CD1 3.72Å; P63-I122 HydrophobicContact CG-CD1 3.84Å; P63-F126 WeakPolarHBondContact CD-O 3.46Å; P63-F126 HydrophobicContact CG-CB 4.31Å
64	I	98.5	Very high	95.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	124.3	167.9	-54.3	-178	0	0	0	108.3	I55 I62 Q67 P75 V76 H81 A115 F116	I55-I64 HydrophobicContact CD1-CD1 4.18Å; I62-I64 HydrophobicContact CD1-CD1 4.01Å; I62-I64 HydrophobicContact CD1-CG1 4.31Å; I64-Q67 HydrophobicContact CB-CG 4.06Å; I64-Q67 HydrophobicContact CG2-CG 3.83Å; I64-Q67 WeakPolarHBondContact O-CG 3.48Å; I64-P75 VanDerWaalsContact O-CA 3.32Å; I64-P75 WeakPolarHBondContact O-CA 3.45Å; I64-V76 PolarHBondContact N-O 2.96Å; I64-V76 PolarHBondContact O-N 2.91Å; I64-H81 HydrophobicContact CD1-CB 3.55Å; I64-A115 HydrophobicContact CG2-CB 4.25Å; I64-F116 HydrophobicContact CD1-CE1 4.42Å; I64-F116 HydrophobicContact CG2-CD1 4.48Å; I64-F116 HydrophobicContact CG2-CE1 4.46Å
65	W	98.1	Very high	95.1	Very high	31 Å²	31	55.8 Å²	55.8	12%	0.117	29%	0.292	C	S	.	.	S	Bend	trans	-84.3	169.3	175.1	-78.3	-95.8	0	0	0	111.5	P63 Q67 D73 P75 D114 A115 K117 I122	P63-W65 HydrophobicContact CB-CE3 4.38Å; P63-W65 HydrophobicContact CB-CH2 3.8Å; P63-W65 HydrophobicContact CB-CZ3 3.63Å; P63-W65 HydrophobicContact CG-CH2 4.1Å; P63-W65 HydrophobicContact CG-CZ3 3.88Å; W65-Q67 VanDerWaalsContact C-N 3.34Å; W65-Q67 PolarHBondContact O-N 3.44Å; W65-D73 PolarHBondContact NE1-O 3.45Å; W65-P75 HydrophobicContact CD2-CB 3.79Å; W65-P75 HydrophobicContact CD2-CG 4.44Å; W65-P75 HydrophobicContact CE3-CB 4.08Å; W65-P75 HydrophobicContact CG-CB 4.28Å; W65-P75 HydrophobicContact CH2-CB 4.23Å; W65-P75 HydrophobicContact CH2-CG 4.21Å; W65-P75 HydrophobicContact CZ2-CB 3.94Å; W65-P75 HydrophobicContact CZ2-CG 3.72Å; W65-P75 HydrophobicContact CZ3-CB 4.29Å; W65-D114 WeakPolarHBondContact CB-O 3.4Å; W65-A115 PolarHBondContact N-O 2.87Å; W65-K117 HydrophobicContact CD2-CD 3.73Å; W65-K117 HydrophobicContact CD2-CG 4.41Å; W65-K117 HydrophobicContact CE3-CD 3.94Å; W65-K117 HydrophobicContact CE3-CG 4.24Å; W65-K117 HydrophobicContact CG-CD 4.12Å; W65-K117 HydrophobicContact CZ2-CD 4.33Å; W65-K117 HydrophobicContact CZ3-CD 4.32Å; W65-K117 VanDerWaalsContact NE1-NZ 3.15Å; W65-I122 HydrophobicContact CH2-CG2 4.34Å
66	K	97.8	Very high	95	Very high	57 Å²	57	56.9 Å²	56.9	25%	0.248	30%	0.299	C	S	.	.	S	Bend	trans	56.6	47	177.5	-53.1	-60.3	-174.8	-173.4	0	111.8	D73 T100 V101 L102 D114	K66-D73 IonicContact NZ-OD1 3.67Å; K66-T100 CarbonylContact O-C 3.15Å; K66-T100 WeakPolarHBondContact O-CA 3.26Å; K66-T100 PolarHBondContact O-OG1 2.78Å; K66-V101 HydrophobicContact CB-CG2 3.76Å; K66-V101 HydrophobicContact CD-CG2 4.22Å; K66-V101 PolarHBondContact O-N 2.93Å; K66-L102 HydrophobicContact CB-CD1 4.31Å; K66-L102 HydrophobicContact CB-CD2 4.37Å; K66-L102 HydrophobicContact CB-CG 3.9Å; K66-L102 HydrophobicContact CG-CD1 4.44Å; K66-L102 HydrophobicContact CG-CD2 4.14Å; K66-L102 HydrophobicContact CG-CG 4.16Å; K66-D114 HydrophobicContact CG-CB 4.23Å
67	Q	98.1	Very high	95	Very high	2 Å²	2	61 Å²	61	1%	0.009	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-108.1	141.1	179.3	-66.3	-73.7	-75.5	0	0	110.7	I64 W65 A69 R70 V76 W78 D97 D99	I64-Q67 HydrophobicContact CB-CG 4.06Å; I64-Q67 HydrophobicContact CG2-CG 3.83Å; I64-Q67 WeakPolarHBondContact O-CG 3.48Å; W65-Q67 VanDerWaalsContact C-N 3.34Å; W65-Q67 PolarHBondContact O-N 3.44Å; Q67-A69 VanDerWaalsContact C-N 3.28Å; Q67-A69 PolarHBondContact O-N 3.41Å; Q67-R70 CarbonylContact O-C 3.54Å; Q67-R70 PolarHBondContact O-N 2.87Å; Q67-V76 HydrophobicContact CB-CB 4.22Å; Q67-V76 HydrophobicContact CB-CG2 3.61Å; Q67-V76 HydrophobicContact CG-CB 4.28Å; Q67-V76 HydrophobicContact CG-CG2 4.22Å; Q67-W78 VanDerWaalsContact OE1-NE1 3.14Å; Q67-D97 PolarHBondContact NE2-OD2 3.35Å; Q67-D99 CarbonylContact C-O 3.52Å; Q67-D99 WeakPolarHBondContact CA-O 3.42Å
68	Q	96.3	Very high	95	Very high	80 Å²	80	62.3 Å²	62.3	37%	0.374	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-34.1	-176.8	-73.7	173.5	36.3	0	0	112.8	R70 P71 L98 D99 T100 V101	Q68-R70 PolarHBondContact O-N 3.3Å; Q68-P71 VanDerWaalsContact O-CD 3.27Å; Q68-P71 WeakPolarHBondContact O-CD 3.25Å; Q68-P71 WeakPolarHBondContact O-CG 3.23Å; Q68-L98 PolarHBondContact NE2-O 2.84Å; Q68-D99 WeakPolarHBondContact CB-O 3.45Å; Q68-D99 WeakPolarHBondContact CG-O 3.47Å; Q68-D99 PolarHBondContact N-O 2.75Å; Q68-T100 PolarHBondContact NE2-O 2.78Å; Q68-V101 HydrophobicContact CB-CG1 4.5Å; Q68-V101 HydrophobicContact CG-CG1 3.92Å
69	A	93.7	Very high	95	Very high	81 Å²	81	59.5 Å²	59.5	67%	0.669	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.2	177.1	0	0	0	0	0	113.3	Q67 V76	Q67-A69 VanDerWaalsContact C-N 3.28Å; Q67-A69 PolarHBondContact O-N 3.41Å; A69-V76 HydrophobicContact CB-CG2 4.16Å
70	R	92.1	Very high	95	Very high	140 Å²	140	52.4 Å²	52.4	53%	0.528	29%	0.287	S	S	.	.	S	Bend	trans	-143.7	79.7	174.8	-166.6	-177.5	-174.9	174.7	4.2	111.2	Q67 Q68 G72 P75 V76	Q67-R70 CarbonylContact O-C 3.54Å; Q67-R70 PolarHBondContact O-N 2.87Å; Q68-R70 PolarHBondContact O-N 3.3Å; R70-G72 PolarHBondContact O-N 3.22Å; R70-P75 WeakPolarHBondContact CD-O 3.45Å; R70-P75 PolarHBondContact NH1-O 3.28Å; R70-V76 HydrophobicContact CB-CG2 3.66Å
71	P	78.3	Confident	95	Very high	102 Å²	102	48.2 Å²	48.2	66%	0.662	27%	0.268	S	S	*	.			trans	-62.9	130.7	176.2	-19.4	33.7	0	0	0	110.4	Q68	Q68-P71 VanDerWaalsContact O-CD 3.27Å; Q68-P71 WeakPolarHBondContact O-CD 3.25Å; Q68-P71 WeakPolarHBondContact O-CG 3.23Å
72	G	85.4	Confident	95.1	Very high	43 Å²	43	45 Å²	45	44%	0.443	25%	0.253	S	S	.	.	S	Bend	trans	131.5	-158.6	-176.9	0	0	0	0	0	112.5	R70	R70-G72 PolarHBondContact O-N 3.22Å
73	D	82.2	Confident	95.1	Very high	126 Å²	126	45 Å²	45	67%	0.674	25%	0.253	S	S	*	.	S	Bend	trans	-97.6	1.2	-173.7	-69.6	-27.7	0	0	0	114.5	W65 K66	W65-D73 PolarHBondContact NE1-O 3.45Å; K66-D73 IonicContact NZ-OD1 3.67Å
74	G	92.8	Very high	95.1	Very high	20 Å²	20	44.8 Å²	44.8	21%	0.206	25%	0.251	C	S	.	.	S	Bend	trans	-88.2	151.1	175.1	0	0	0	0	0	112.4
75	P	96.9	Very high	95.1	Very high	26 Å²	26	44.8 Å²	44.8	17%	0.169	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-78.8	158.4	172.7	32.6	-32.3	0	0	0	111.6	P63 I64 W65 R70 I77	P63-P75 HydrophobicContact CB-CB 3.69Å; P63-P75 HydrophobicContact CB-CG 4.04Å; I64-P75 VanDerWaalsContact O-CA 3.32Å; I64-P75 WeakPolarHBondContact O-CA 3.45Å; W65-P75 HydrophobicContact CD2-CB 3.79Å; W65-P75 HydrophobicContact CD2-CG 4.44Å; W65-P75 HydrophobicContact CE3-CB 4.08Å; W65-P75 HydrophobicContact CG-CB 4.28Å; W65-P75 HydrophobicContact CH2-CB 4.23Å; W65-P75 HydrophobicContact CH2-CG 4.21Å; W65-P75 HydrophobicContact CZ2-CB 3.94Å; W65-P75 HydrophobicContact CZ2-CG 3.72Å; W65-P75 HydrophobicContact CZ3-CB 4.29Å; R70-P75 WeakPolarHBondContact CD-O 3.45Å; R70-P75 PolarHBondContact NH1-O 3.28Å; P75-I77 HydrophobicContact CB-CD1 4.4Å; P75-I77 HydrophobicContact CG-CD1 4.13Å
76	V	97.9	Very high	95.2	Very high	24 Å²	24	43.3 Å²	43.3	15%	0.145	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.8	153.3	178.8	0	0	0	0	107.4	P63 I64 Q67 A69 R70 W78	P63-V76 WeakPolarHBondContact CA-O 3.17Å; I64-V76 PolarHBondContact N-O 2.96Å; I64-V76 PolarHBondContact O-N 2.91Å; Q67-V76 HydrophobicContact CB-CB 4.22Å; Q67-V76 HydrophobicContact CB-CG2 3.61Å; Q67-V76 HydrophobicContact CG-CB 4.28Å; Q67-V76 HydrophobicContact CG-CG2 4.22Å; A69-V76 HydrophobicContact CB-CG2 4.16Å; R70-V76 HydrophobicContact CB-CG2 3.66Å; V76-W78 HydrophobicContact CG1-CD2 3.93Å; V76-W78 VanDerWaalsContact CG1-CE2 3.48Å; V76-W78 HydrophobicContact CG1-CG 4.15Å; V76-W78 HydrophobicContact CG1-CZ2 3.91Å
77	I	98.2	Very high	95.1	Very high	88 Å²	88	42.6 Å²	42.6	45%	0.451	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	107.3	174.4	-52.4	-55.4	0	0	0	107.6	M61 I62 P63 P75	M61-I77 HydrophobicContact CB-CG2 4.06Å; M61-I77 HydrophobicContact CG-CG2 4.45Å; I62-I77 WeakPolarHBondContact O-CA 3.4Å; P63-I77 HydrophobicContact CB-CD1 3.72Å; P75-I77 HydrophobicContact CB-CD1 4.4Å; P75-I77 HydrophobicContact CG-CD1 4.13Å
78	W	98.5	Very high	94.8	Very high	33 Å²	33	43.3 Å²	43.3	13%	0.125	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	149.5	179.2	-68	107.6	0	0	0	111.1	M61 I62 Q67 V76 H81	M61-W78 CarbonylContact C-O 3.31Å; M61-W78 WeakPolarHBondContact CA-O 3.45Å; I62-W78 HydrophobicContact CD1-CB 4.29Å; I62-W78 HydrophobicContact CG1-CB 3.99Å; I62-W78 VanDerWaalsContact CG1-O 3.29Å; I62-W78 WeakPolarHBondContact CG1-O 3.45Å; I62-W78 PolarHBondContact N-O 3.24Å; I62-W78 PolarHBondContact O-N 3.09Å; Q67-W78 VanDerWaalsContact OE1-NE1 3.14Å; V76-W78 HydrophobicContact CG1-CD2 3.93Å; V76-W78 VanDerWaalsContact CG1-CE2 3.48Å; V76-W78 HydrophobicContact CG1-CG 4.15Å; V76-W78 HydrophobicContact CG1-CZ2 3.91Å; W78-H81 HydrophobicContact CB-CB 4.49Å; W78-H81 HydrophobicContact CG-CB 4.34Å
79	D	98.3	Very high	94.2	Very high	77 Å²	77	44.6 Å²	44.6	41%	0.412	27%	0.269	S	S	.	.	S	Bend	trans	-73.7	-42.3	165.5	59.8	-23	0	0	0	111.2	S56 K60	S56-D79 PolarHBondContact OG-O 3.04Å; K60-D79 VanDerWaalsContact CA-O 3.31Å; K60-D79 WeakPolarHBondContact CA-O 3.36Å; K60-D79 HydrophobicContact CB-CB 3.96Å; K60-D79 WeakPolarHBondContact CB-O 3.49Å; K60-D79 VanDerWaalsContact O-CA 3.27Å; K60-D79 WeakPolarHBondContact O-CA 3.47Å
80	Y	98.9	Very high	93.5	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.035	27%	0.267	C	S	.	.			trans	-151.7	160	161	69.5	-75.5	0	0	0	109.6	E29 F54 I55 V82 H148 L175 I179	E29-Y80 HydrophobicContact CB-CE2 4.33Å; E29-Y80 VanDerWaalsContact CD-OH 3.29Å; E29-Y80 PolarHBondContact OE2-OH 3.35Å; E29-Y80 VanDerWaalsContact OE2-OH 3.09Å; F54-Y80 HydrophobicContact CD1-CD2 4.14Å; F54-Y80 HydrophobicContact CE1-CD2 4.32Å; F54-Y80 HydrophobicContact CE1-CE2 4.31Å; I55-Y80 CarbonylContact O-C 3.59Å; I55-Y80 WeakPolarHBondContact O-CA 3.41Å; I55-Y80 WeakPolarHBondContact O-CB 3.43Å; Y80-V82 HydrophobicContact CD2-CG2 3.94Å; Y80-V82 HydrophobicContact CE2-CG2 4.03Å; Y80-H148 PolarHBondContact OH-NE2 3.23Å; Y80-H148 VanDerWaalsContact OH-NE2 3.12Å; Y80-L175 HydrophobicContact CE2-CD1 4.25Å; Y80-I179 HydrophobicContact CD1-CD1 3.44Å; Y80-I179 VanDerWaalsContact CD1-CD1 3.44Å; Y80-I179 HydrophobicContact CD1-CG1 3.91Å; Y80-I179 HydrophobicContact CD2-CD1 4.17Å; Y80-I179 HydrophobicContact CD2-CG1 3.89Å; Y80-I179 HydrophobicContact CE1-CD1 3.5Å; Y80-I179 HydrophobicContact CE1-CG1 4.29Å; Y80-I179 HydrophobicContact CE2-CD1 4.21Å; Y80-I179 HydrophobicContact CE2-CG1 4.24Å; Y80-I179 HydrophobicContact CG-CD1 3.79Å; Y80-I179 HydrophobicContact CG-CG1 3.7Å; Y80-I179 HydrophobicContact CG-CG2 4.43Å
81	H	98.9	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	153.6	169.9	-168.5	45.8	0	0	0	109.8	I55 I62 I64 W78 D97 D99	I55-H81 PolarHBondContact N-O 2.8Å; I55-H81 PolarHBondContact O-N 3.38Å; I62-H81 HydrophobicContact CD1-CB 4.46Å; I64-H81 HydrophobicContact CD1-CB 3.55Å; W78-H81 HydrophobicContact CB-CB 4.49Å; W78-H81 HydrophobicContact CG-CB 4.34Å; H81-D97 IonicContact CE1-OD1 3.67Å; H81-D97 IonicContact NE2-OD1 2.68Å; H81-D97 PolarHBondContact NE2-OD1 3.39Å; H81-D97 IonicContact NE2-OD2 2.99Å; H81-D97 PolarHBondContact NE2-OD2 2.98Å; H81-D99 IonicContact CE1-OD2 3.31Å; H81-D99 PolarHBondContact CE1-OD2 2.9Å
82	V	98.9	Very high	93.7	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	130.5	179.7	-165.8	0	0	0	0	110.1	C28 E29 I32 V53 F54 Y80	C28-V82 HydrophobicContact CB-CB 4.31Å; C28-V82 PolarHBondContact SG-N 2.95Å; E29-V82 HydrophobicContact CB-CG2 3.96Å; I32-V82 HydrophobicContact CB-CG1 3.92Å; I32-V82 HydrophobicContact CG1-CB 4.14Å; I32-V82 HydrophobicContact CG1-CG1 3.86Å; I32-V82 WeakPolarHBondContact CG1-O 3.36Å; I32-V82 HydrophobicContact CG2-CG1 4.05Å; V53-V82 WeakPolarHBondContact O-CA 3.39Å; F54-V82 HydrophobicContact CD1-CG2 3.5Å; F54-V82 HydrophobicContact CD2-CG1 3.92Å; F54-V82 HydrophobicContact CD2-CG2 4.15Å; F54-V82 HydrophobicContact CE1-CG2 3.44Å; F54-V82 VanDerWaalsContact CE1-CG2 3.44Å; F54-V82 HydrophobicContact CE2-CG1 3.83Å; F54-V82 HydrophobicContact CE2-CG2 4.1Å; F54-V82 HydrophobicContact CG-CG1 4.36Å; F54-V82 HydrophobicContact CG-CG2 3.86Å; F54-V82 HydrophobicContact CZ-CG1 4.21Å; F54-V82 HydrophobicContact CZ-CG2 3.76Å; Y80-V82 HydrophobicContact CD2-CG2 3.94Å; Y80-V82 HydrophobicContact CE2-CG2 4.03Å
83	V	98.9	Very high	94.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	158.5	174.4	-56.3	0	0	0	0	110.3	V53 I55 I95 D97	V53-V83 HydrophobicContact CB-CG2 3.89Å; V53-V83 HydrophobicContact CG1-CG2 4.46Å; V53-V83 PolarHBondContact N-O 3.37Å; V53-V83 PolarHBondContact O-N 3.07Å; I55-V83 HydrophobicContact CD1-CG1 4.32Å; I55-V83 HydrophobicContact CD1-CG2 4.25Å; V83-I95 HydrophobicContact CB-CG2 3.99Å; V83-I95 HydrophobicContact CG1-CG2 4.37Å; V83-I95 HydrophobicContact CG2-CD1 4.28Å; V83-I95 HydrophobicContact CG2-CG2 4.06Å; V83-D97 HydrophobicContact CB-CB 4.41Å; V83-D97 HydrophobicContact CG1-CB 3.68Å
84	L	98.9	Very high	95	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.7	169.1	177.8	91.1	0	0	0	109.2	I32 L35 C36 I39 C50 Y51 I95 Y96	I32-L84 HydrophobicContact CD1-CB 4.06Å; I32-L84 HydrophobicContact CG2-CB 4.03Å; I32-L84 HydrophobicContact CG2-CD1 4.35Å; L35-L84 HydrophobicContact CB-CD2 4.32Å; C36-L84 WeakPolarHBondContact SG-CD1 3.4Å; I39-L84 HydrophobicContact CD1-CD2 3.58Å; C50-L84 HydrophobicContact CB-CD1 4.2Å; Y51-L84 CarbonylContact O-C 3.56Å; Y51-L84 WeakPolarHBondContact O-CA 3.29Å; L84-I95 CarbonylContact O-C 3.29Å; L84-I95 WeakPolarHBondContact O-CA 3.33Å; L84-Y96 HydrophobicContact CD2-CD2 3.89Å; L84-Y96 HydrophobicContact CD2-CE2 4.42Å; L84-Y96 HydrophobicContact CD2-CG 4.15Å; L84-Y96 PolarHBondContact N-O 2.88Å; L84-Y96 PolarHBondContact O-N 2.83Å
85	L	98.9	Very high	95.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126	170.3	168.8	66.6	0	0	0	109.1	C50 Y51 V53 V87 F94 I95 F108 F196 F200	C50-L85 CarbonylContact C-O 3.57Å; C50-L85 WeakPolarHBondContact CA-O 3.48Å; Y51-L85 HydrophobicContact CD2-CD2 4.44Å; Y51-L85 HydrophobicContact CD2-CG 4.45Å; Y51-L85 PolarHBondContact N-O 2.57Å; Y51-L85 PolarHBondContact O-N 3.11Å; V53-L85 HydrophobicContact CG2-CB 3.66Å; V53-L85 HydrophobicContact CG2-CD2 4.3Å; L85-V87 HydrophobicContact CD1-CG2 4.44Å; L85-V87 HydrophobicContact CD2-CG2 4.26Å; L85-V87 HydrophobicContact CG-CG2 4.12Å; L85-F94 WeakPolarHBondContact CA-O 3.42Å; L85-I95 HydrophobicContact CB-CD1 4.09Å; L85-I95 HydrophobicContact CD1-CD1 3.81Å; L85-F108 HydrophobicContact CD1-CD2 3.74Å; L85-F108 HydrophobicContact CD1-CE2 4.15Å; L85-F196 HydrophobicContact CD2-CE2 4.26Å; L85-F196 HydrophobicContact CD2-CZ 4.43Å; L85-F200 HydrophobicContact CD2-CB 4.32Å; L85-F200 HydrophobicContact CD2-CD1 3.71Å; L85-F200 HydrophobicContact CD2-CD2 3.94Å; L85-F200 HydrophobicContact CD2-CE1 3.88Å; L85-F200 HydrophobicContact CD2-CE2 4.12Å; L85-F200 HydrophobicContact CD2-CG 3.73Å; L85-F200 HydrophobicContact CD2-CZ 4.08Å
86	H	98.5	Very high	95.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.4	170.2	-179.2	-145.2	0	0	0	109.7	Y11 Y45 E49 C50 S93 F94 Y96	Y11-H86 AromaticContact CE2-CE1 3.79Å; Y11-H86 AromaticContact CE2-ND1 3.48Å; Y11-H86 WeakPolarHBondContact CE2-ND1 3.31Å; Y11-H86 AromaticContact CZ-ND1 3.58Å; Y11-H86 PolarHBondContact OH-ND1 2.82Å; Y45-H86 AromaticContact CD1-CE1 3.67Å; Y45-H86 AromaticContact CD1-NE2 3.86Å; Y45-H86 AromaticContact CD2-CE1 3.78Å; Y45-H86 AromaticContact CE1-CE1 3.92Å; Y45-H86 AromaticContact CE2-CE1 3.97Å; Y45-H86 AromaticContact CG-CE1 3.63Å; Y45-H86 AromaticContact CG-NE2 3.76Å; E49-H86 IonicContact OE2-NE2 3.58Å; C50-H86 VanDerWaalsContact SG-CD2 3.53Å; H86-S93 CarbonylContact O-C 3.42Å; H86-S93 VanDerWaalsContact O-CA 3.31Å; H86-S93 WeakPolarHBondContact O-CA 3.33Å; H86-F94 PolarHBondContact N-O 2.91Å; H86-F94 PolarHBondContact O-N 2.83Å; H86-Y96 HydrophobicContact CB-CE2 3.88Å
87	V	96.9	Very high	95.4	Very high	42 Å²	42	30 Å²	30	26%	0.255	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	93.2	176.2	-175.7	0	0	0	0	108.1	E49 Y51 L85 F200	E49-V87 PolarHBondContact O-N 2.81Å; Y51-V87 HydrophobicContact CD2-CG2 4.13Å; Y51-V87 HydrophobicContact CE2-CB 4.34Å; Y51-V87 HydrophobicContact CE2-CG2 3.79Å; L85-V87 HydrophobicContact CD1-CG2 4.44Å; L85-V87 HydrophobicContact CD2-CG2 4.26Å; L85-V87 HydrophobicContact CG-CG2 4.12Å; V87-F200 HydrophobicContact CG2-CD1 3.88Å; V87-F200 HydrophobicContact CG2-CE1 4.16Å
88	S	91.3	Very high	95.5	Very high	18 Å²	18	26.1 Å²	26.1	13%	0.126	17%	0.172	C	C	.	.			trans	-67.1	146.2	-176.8	170.3	0	0	0	0	111.5	G90 G91 Q92	S88-G90 PolarHBondContact O-N 3.01Å; S88-G90 PolarHBondContact OG-N 2.82Å; S88-G91 PolarHBondContact O-N 2.85Å; S88-Q92 VanDerWaalsContact CB-O 3.28Å; S88-Q92 WeakPolarHBondContact CB-O 3.31Å; S88-Q92 PolarHBondContact N-O 3.37Å
89	S	83.8	Confident	95.5	Very high	107 Å²	107	25 Å²	25	75%	0.748	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-21	172.1	68.1	0	0	0	0	113.9	G91	S89-G91 PolarHBondContact O-N 2.84Å
90	G	79.6	Confident	95.5	Very high	60 Å²	60	21.4 Å²	21.4	62%	0.619	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	2.6	174.2	0	0	0	0	0	115.1	S88 Q92	S88-G90 PolarHBondContact O-N 3.01Å; S88-G90 PolarHBondContact OG-N 2.82Å; G90-Q92 VanDerWaalsContact C-N 3.27Å; G90-Q92 PolarHBondContact O-N 3.47Å
91	G	82.1	Confident	95.4	Very high	57 Å²	57	24.5 Å²	24.5	59%	0.588	17%	0.169	S	C	*	.	S	Bend	trans	78.9	8.4	-179.2	0	0	0	0	0	114.3	S88 S89	S88-G91 PolarHBondContact O-N 2.85Å; S89-G91 PolarHBondContact O-N 2.84Å
92	Q	91.1	Very high	95.4	Very high	104 Å²	104	25.4 Å²	25.4	49%	0.486	17%	0.174	S	C	.	.			trans	-104.5	140.4	175.8	-66.6	-177.9	-40.5	0	0	110.4	S88 G90 F94	S88-Q92 VanDerWaalsContact CB-O 3.28Å; S88-Q92 WeakPolarHBondContact CB-O 3.31Å; S88-Q92 PolarHBondContact N-O 3.37Å; G90-Q92 VanDerWaalsContact C-N 3.27Å; G90-Q92 PolarHBondContact O-N 3.47Å; Q92-F94 HydrophobicContact CB-CE2 3.77Å; Q92-F94 HydrophobicContact CB-CZ 4.22Å
93	S	97.4	Very high	95.4	Very high	12 Å²	12	29.3 Å²	29.3	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	145.4	176.5	-61.4	0	0	0	0	110.7	H86 F108 F200	H86-S93 CarbonylContact O-C 3.42Å; H86-S93 VanDerWaalsContact O-CA 3.31Å; H86-S93 WeakPolarHBondContact O-CA 3.33Å; S93-F108 VanDerWaalsContact O-CB 3.27Å; S93-F108 WeakPolarHBondContact O-CB 3.37Å; S93-F108 PolarHBondContact O-N 3.43Å; S93-F200 VanDerWaalsContact CB-O 3.27Å; S93-F200 WeakPolarHBondContact CB-O 3.41Å; S93-F200 PolarHBondContact OG-O 3.38Å
94	F	98.4	Very high	95.4	Very high	20 Å²	20	31 Å²	31	9%	0.088	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	141	179.3	-65.2	-89.9	0	0	0	111.3	Y11 L85 H86 Q92 Y96 P105 C106 P107	Y11-F94 AromaticContact CD1-CD1 3.86Å; Y11-F94 HydrophobicContact CD1-CD1 3.86Å; Y11-F94 AromaticContact CD1-CD2 3.95Å; Y11-F94 HydrophobicContact CD1-CD2 3.95Å; Y11-F94 AromaticContact CD1-CE1 3.62Å; Y11-F94 HydrophobicContact CD1-CE1 3.62Å; Y11-F94 AromaticContact CD1-CE2 3.72Å; Y11-F94 HydrophobicContact CD1-CE2 3.72Å; Y11-F94 HydrophobicContact CD1-CG 4.03Å; Y11-F94 AromaticContact CD1-CZ 3.55Å; Y11-F94 HydrophobicContact CD1-CZ 3.55Å; Y11-F94 AromaticContact CD2-CD2 3.96Å; Y11-F94 HydrophobicContact CD2-CD2 3.96Å; Y11-F94 AromaticContact CD2-CE2 3.57Å; Y11-F94 HydrophobicContact CD2-CE2 3.57Å; Y11-F94 HydrophobicContact CD2-CZ 4.09Å; Y11-F94 HydrophobicContact CE1-CB 4.13Å; Y11-F94 AromaticContact CE1-CD1 3.69Å; Y11-F94 HydrophobicContact CE1-CD1 3.69Å; Y11-F94 AromaticContact CE1-CD2 3.63Å; Y11-F94 HydrophobicContact CE1-CD2 3.63Å; Y11-F94 AromaticContact CE1-CE1 3.96Å; Y11-F94 HydrophobicContact CE1-CE1 3.96Å; Y11-F94 AromaticContact CE1-CE2 3.9Å; Y11-F94 HydrophobicContact CE1-CE2 3.9Å; Y11-F94 AromaticContact CE1-CG 3.52Å; Y11-F94 HydrophobicContact CE1-CG 3.52Å; Y11-F94 HydrophobicContact CE1-CZ 4.06Å; Y11-F94 AromaticContact CE2-CD2 3.68Å; Y11-F94 HydrophobicContact CE2-CD2 3.68Å; Y11-F94 AromaticContact CE2-CE2 3.8Å; Y11-F94 HydrophobicContact CE2-CE2 3.8Å; Y11-F94 HydrophobicContact CE2-CG 4.39Å; Y11-F94 HydrophobicContact CG-CD2 4.06Å; Y11-F94 HydrophobicContact CG-CE1 4.08Å; Y11-F94 AromaticContact CG-CE2 3.49Å; Y11-F94 HydrophobicContact CG-CE2 3.49Å; Y11-F94 VanDerWaalsContact CG-CE2 3.49Å; Y11-F94 AromaticContact CG-CZ 3.5Å; Y11-F94 HydrophobicContact CG-CZ 3.5Å; Y11-F94 AromaticContact CZ-CD2 3.45Å; Y11-F94 VanDerWaalsContact CZ-CD2 3.45Å; Y11-F94 AromaticContact CZ-CE2 3.92Å; Y11-F94 AromaticContact CZ-CG 3.7Å; L85-F94 WeakPolarHBondContact CA-O 3.42Å; H86-F94 PolarHBondContact N-O 2.91Å; H86-F94 PolarHBondContact O-N 2.83Å; Q92-F94 HydrophobicContact CB-CE2 3.77Å; Q92-F94 HydrophobicContact CB-CZ 4.22Å; F94-Y96 HydrophobicContact CB-CE2 4.27Å; F94-P105 HydrophobicContact CB-CB 4.22Å; F94-C106 CarbonylContact C-O 3.4Å; F94-C106 WeakPolarHBondContact CA-O 3.5Å; F94-P107 HydrophobicContact CE1-CG 4.34Å
95	I	98.8	Very high	95.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.2	174.1	-62.2	-65.2	0	0	0	109.8	V83 L84 L85 D97 P105 C106 F108 Y111	V83-I95 HydrophobicContact CB-CG2 3.99Å; V83-I95 HydrophobicContact CG1-CG2 4.37Å; V83-I95 HydrophobicContact CG2-CD1 4.28Å; V83-I95 HydrophobicContact CG2-CG2 4.06Å; L84-I95 CarbonylContact O-C 3.29Å; L84-I95 WeakPolarHBondContact O-CA 3.33Å; L85-I95 HydrophobicContact CB-CD1 4.09Å; L85-I95 HydrophobicContact CD1-CD1 3.81Å; I95-D97 HydrophobicContact CG2-CB 4.26Å; I95-P105 WeakPolarHBondContact O-CA 3.43Å; I95-C106 PolarHBondContact N-O 3.47Å; I95-C106 PolarHBondContact O-N 3.27Å; I95-F108 HydrophobicContact CD1-CD2 3.93Å; I95-F108 HydrophobicContact CD1-CE2 4.35Å; I95-F108 HydrophobicContact CG1-CD2 4.04Å; I95-Y111 HydrophobicContact CB-CD1 4.14Å; I95-Y111 HydrophobicContact CB-CD2 4.05Å; I95-Y111 HydrophobicContact CB-CG 3.81Å; I95-Y111 HydrophobicContact CG1-CD1 3.95Å; I95-Y111 HydrophobicContact CG1-CG 3.96Å; I95-Y111 HydrophobicContact CG2-CD1 3.83Å; I95-Y111 HydrophobicContact CG2-CD2 3.72Å; I95-Y111 HydrophobicContact CG2-CE1 3.85Å; I95-Y111 HydrophobicContact CG2-CE2 3.75Å; I95-Y111 HydrophobicContact CG2-CG 3.76Å
96	Y	98.9	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	102.7	169.5	-63.2	-106.3	0	0	0	107.7	Y11 P13 A14 S15 L84 H86 F94 F104 P105	Y11-Y96 WeakPolarHBondContact OH-CE2 3.44Å; Y11-Y96 PolarHBondContact OH-OH 2.87Å; P13-Y96 WeakPolarHBondContact CA-OH 3.3Å; P13-Y96 HydrophobicContact CB-CE1 4.39Å; A14-Y96 PolarHBondContact N-OH 3.45Å; S15-Y96 WeakPolarHBondContact OG-CD1 3.45Å; S15-Y96 VanDerWaalsContact OG-CE1 3.25Å; S15-Y96 WeakPolarHBondContact OG-CE1 3.41Å; L84-Y96 HydrophobicContact CD2-CD2 3.89Å; L84-Y96 HydrophobicContact CD2-CE2 4.42Å; L84-Y96 HydrophobicContact CD2-CG 4.15Å; L84-Y96 PolarHBondContact N-O 2.88Å; L84-Y96 PolarHBondContact O-N 2.83Å; H86-Y96 HydrophobicContact CB-CE2 3.88Å; F94-Y96 HydrophobicContact CB-CE2 4.27Å; Y96-F104 HydrophobicContact CD1-CD2 4.41Å; Y96-F104 HydrophobicContact CD1-CE1 4.12Å; Y96-F104 AromaticContact CD1-CE2 3.9Å; Y96-F104 HydrophobicContact CD1-CE2 3.9Å; Y96-F104 AromaticContact CD1-CZ 3.74Å; Y96-F104 HydrophobicContact CD1-CZ 3.74Å; Y96-F104 HydrophobicContact CG-CE2 4.31Å; Y96-P105 HydrophobicContact CD1-CB 3.85Å; Y96-P105 HydrophobicContact CD1-CG 4.43Å; Y96-P105 HydrophobicContact CD2-CB 4.11Å; Y96-P105 HydrophobicContact CE1-CB 3.56Å; Y96-P105 HydrophobicContact CE1-CG 3.73Å; Y96-P105 HydrophobicContact CE2-CB 3.85Å; Y96-P105 HydrophobicContact CE2-CG 4.47Å; Y96-P105 HydrophobicContact CG-CB 4.1Å
97	D	98.9	Very high	95.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.011	23%	0.23	C	C	.	.			trans	-117.2	115.8	173.9	179.1	5.9	0	0	0	108.2	R18 Q67 H81 V83 I95 D99 T100 F104 Y111	R18-D97 PolarHBondContact NH1-O 2.91Å; Q67-D97 PolarHBondContact NE2-OD2 3.35Å; H81-D97 IonicContact CE1-OD1 3.67Å; H81-D97 IonicContact NE2-OD1 2.68Å; H81-D97 PolarHBondContact NE2-OD1 3.39Å; H81-D97 IonicContact NE2-OD2 2.99Å; H81-D97 PolarHBondContact NE2-OD2 2.98Å; V83-D97 HydrophobicContact CB-CB 4.41Å; V83-D97 HydrophobicContact CG1-CB 3.68Å; I95-D97 HydrophobicContact CG2-CB 4.26Å; D97-D99 PolarHBondContact O-N 3.14Å; D97-D99 PolarHBondContact OD1-N 3.23Å; D97-T100 HydrophobicContact CB-CG2 3.9Å; D97-T100 WeakPolarHBondContact O-CG2 3.41Å; D97-T100 PolarHBondContact OD1-N 3.27Å; D97-T100 WeakPolarHBondContact OD2-CB 3.47Å; D97-T100 PolarHBondContact OD2-N 3.16Å; D97-F104 WeakPolarHBondContact O-CD2 3.36Å; D97-Y111 HydrophobicContact CB-CE2 3.67Å; D97-Y111 PolarHBondContact OD2-OH 2.88Å
98	L	98.8	Very high	95.3	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.8	180	-75.7	163.5	0	0	0	112.4	R18 C21 Y23 N31 L35 Q68 F104	R18-L98 HydrophobicContact CG-CD2 4.03Å; R18-L98 VanDerWaalsContact NH1-CA 3.35Å; R18-L98 PolarHBondContact NH1-O 2.77Å; C21-L98 HydrophobicContact CB-CD1 4.26Å; C21-L98 HydrophobicContact CB-CD2 3.69Å; Y23-L98 HydrophobicContact CD2-CB 3.72Å; Y23-L98 HydrophobicContact CD2-CD1 4.17Å; Y23-L98 HydrophobicContact CD2-CG 4.46Å; Y23-L98 HydrophobicContact CE2-CB 3.99Å; N31-L98 HydrophobicContact CB-CD1 3.83Å; L35-L98 HydrophobicContact CD1-CD1 4.25Å; Q68-L98 PolarHBondContact NE2-O 2.84Å; L98-F104 HydrophobicContact CD2-CD2 4.35Å; L98-F104 HydrophobicContact CD2-CE1 4.33Å; L98-F104 HydrophobicContact CD2-CE2 3.63Å; L98-F104 HydrophobicContact CD2-CZ 3.62Å; L98-F104 HydrophobicContact CG-CE2 3.87Å; L98-F104 HydrophobicContact CG-CZ 4.18Å
99	D	98.6	Very high	95.6	Very high	10 Å²	10	35 Å²	35	5%	0.053	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-6	-178.1	-66.7	-71.9	0	0	0	113.4	Y23 Q67 Q68 H81 D97	Y23-D99 WeakPolarHBondContact CE2-OD1 3.17Å; Y23-D99 PolarHBondContact OH-OD1 2.82Å; Q67-D99 CarbonylContact C-O 3.52Å; Q67-D99 WeakPolarHBondContact CA-O 3.42Å; Q68-D99 WeakPolarHBondContact CB-O 3.45Å; Q68-D99 WeakPolarHBondContact CG-O 3.47Å; Q68-D99 PolarHBondContact N-O 2.75Å; H81-D99 IonicContact CE1-OD2 3.31Å; H81-D99 PolarHBondContact CE1-OD2 2.9Å; D97-D99 PolarHBondContact O-N 3.14Å; D97-D99 PolarHBondContact OD1-N 3.23Å
100	T	98.5	Very high	96.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-76.4	154	176.2	-165.9	0	0	0	0	113	R18 K66 Q68 D97 L102 Y111	R18-T100 PolarHBondContact NH1-O 2.93Å; R18-T100 PolarHBondContact NH2-O 2.97Å; K66-T100 CarbonylContact O-C 3.15Å; K66-T100 WeakPolarHBondContact O-CA 3.26Å; K66-T100 PolarHBondContact O-OG1 2.78Å; Q68-T100 PolarHBondContact NE2-O 2.78Å; D97-T100 HydrophobicContact CB-CG2 3.9Å; D97-T100 WeakPolarHBondContact O-CG2 3.41Å; D97-T100 PolarHBondContact OD1-N 3.27Å; D97-T100 WeakPolarHBondContact OD2-CB 3.47Å; D97-T100 PolarHBondContact OD2-N 3.16Å; T100-L102 HydrophobicContact CG2-CB 3.86Å; T100-L102 WeakPolarHBondContact OG1-CB 3.32Å; T100-L102 PolarHBondContact OG1-N 3.29Å; T100-Y111 HydrophobicContact CG2-CE2 4.14Å
101	V	98.1	Very high	97.2	Very high	74 Å²	74	29.7 Å²	29.7	45%	0.448	18%	0.18	S	C	.	.	S	Bend	trans	-90.3	-7.5	163.9	-54.4	0	0	0	0	113	K66 Q68	K66-V101 HydrophobicContact CB-CG2 3.76Å; K66-V101 HydrophobicContact CD-CG2 4.22Å; K66-V101 PolarHBondContact O-N 2.93Å; Q68-V101 HydrophobicContact CB-CG1 4.5Å; Q68-V101 HydrophobicContact CG-CG1 3.92Å
102	L	98.1	Very high	98	Very high	19 Å²	19	27.9 Å²	27.9	10%	0.099	16%	0.158	C	C	.	.	S	Bend	trans	-66	170	169.7	-65.5	176.3	0	0	0	110.9	R18 K66 T100 Y111 D114 A115	R18-L102 PolarHBondContact NH2-O 3.33Å; K66-L102 HydrophobicContact CB-CD1 4.31Å; K66-L102 HydrophobicContact CB-CD2 4.37Å; K66-L102 HydrophobicContact CB-CG 3.9Å; K66-L102 HydrophobicContact CG-CD1 4.44Å; K66-L102 HydrophobicContact CG-CD2 4.14Å; K66-L102 HydrophobicContact CG-CG 4.16Å; T100-L102 HydrophobicContact CG2-CB 3.86Å; T100-L102 WeakPolarHBondContact OG1-CB 3.32Å; T100-L102 PolarHBondContact OG1-N 3.29Å; L102-Y111 HydrophobicContact CD1-CD2 3.84Å; L102-Y111 HydrophobicContact CD1-CE2 4.41Å; L102-Y111 HydrophobicContact CD1-CG 4.45Å; L102-D114 HydrophobicContact CD1-CB 4.04Å; L102-D114 HydrophobicContact CD2-CB 4.18Å; L102-A115 HydrophobicContact CD1-CB 4.13Å
103	P	98.4	Very high	98.3	Very high	83 Å²	83	29.7 Å²	29.7	54%	0.539	17%	0.167	S	C	.	.			trans	-53.1	152.5	173.2	-28.1	37.1	0	0	0	112.9	P105 C106	P103-P105 CarbonylContact C-O 3.53Å; P103-P105 WeakPolarHBondContact CB-O 3.2Å; P103-P105 CarbonylContact O-C 3.59Å; P103-P105 VanDerWaalsContact O-C 3.29Å; P103-C106 WeakPolarHBondContact O-CB 3.15Å; P103-C106 PolarHBondContact O-N 3.36Å
104	F	98.5	Very high	98.3	Very high	34 Å²	34	32 Å²	32	15%	0.149	18%	0.178	C	C	.	.	S	Bend	trans	-125.8	110.9	173.6	-179.8	-93	0	0	0	109.3	S15 R18 L35 Y96 D97 L98	S15-F104 VanDerWaalsContact OG-CE1 3.23Å; S15-F104 WeakPolarHBondContact OG-CE1 3.1Å; R18-F104 HydrophobicContact CB-CB 4.22Å; R18-F104 HydrophobicContact CB-CD1 3.76Å; R18-F104 HydrophobicContact CB-CE1 4.3Å; R18-F104 HydrophobicContact CB-CG 4.07Å; R18-F104 HydrophobicContact CG-CD1 4.42Å; R18-F104 HydrophobicContact CG-CG 4.35Å; L35-F104 HydrophobicContact CD1-CE2 4.5Å; L35-F104 HydrophobicContact CD1-CZ 4.25Å; Y96-F104 HydrophobicContact CD1-CD2 4.41Å; Y96-F104 HydrophobicContact CD1-CE1 4.12Å; Y96-F104 AromaticContact CD1-CE2 3.9Å; Y96-F104 HydrophobicContact CD1-CE2 3.9Å; Y96-F104 AromaticContact CD1-CZ 3.74Å; Y96-F104 HydrophobicContact CD1-CZ 3.74Å; Y96-F104 HydrophobicContact CG-CE2 4.31Å; D97-F104 WeakPolarHBondContact O-CD2 3.36Å; L98-F104 HydrophobicContact CD2-CD2 4.35Å; L98-F104 HydrophobicContact CD2-CE1 4.33Å; L98-F104 HydrophobicContact CD2-CE2 3.63Å; L98-F104 HydrophobicContact CD2-CZ 3.62Å; L98-F104 HydrophobicContact CG-CE2 3.87Å; L98-F104 HydrophobicContact CG-CZ 4.18Å
105	P	98.4	Very high	98.2	Very high	19 Å²	19	31 Å²	31	12%	0.123	17%	0.173	C	C	.	.	S	Bend	cis	-68.4	161.9	-8.3	25.2	-29.9	0	0	0	113.6	Y11 P13 F94 I95 Y96 P103	Y11-P105 HydrophobicContact CD1-CG 4.4Å; Y11-P105 HydrophobicContact CE1-CB 4.4Å; Y11-P105 HydrophobicContact CE1-CG 3.66Å; P13-P105 HydrophobicContact CB-CG 4.12Å; P13-P105 HydrophobicContact CG-CG 4.08Å; F94-P105 HydrophobicContact CB-CB 4.22Å; I95-P105 WeakPolarHBondContact O-CA 3.43Å; Y96-P105 HydrophobicContact CD1-CB 3.85Å; Y96-P105 HydrophobicContact CD1-CG 4.43Å; Y96-P105 HydrophobicContact CD2-CB 4.11Å; Y96-P105 HydrophobicContact CE1-CB 3.56Å; Y96-P105 HydrophobicContact CE1-CG 3.73Å; Y96-P105 HydrophobicContact CE2-CB 3.85Å; Y96-P105 HydrophobicContact CE2-CG 4.47Å; Y96-P105 HydrophobicContact CG-CB 4.1Å; P103-P105 CarbonylContact C-O 3.53Å; P103-P105 WeakPolarHBondContact CB-O 3.2Å; P103-P105 CarbonylContact O-C 3.59Å; P103-P105 VanDerWaalsContact O-C 3.29Å
106	C	98.4	Very high	98.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	137.8	173.5	-168.6	0	0	0	0	110.2	F94 I95 P103 F108 Y111	F94-C106 CarbonylContact C-O 3.4Å; F94-C106 WeakPolarHBondContact CA-O 3.5Å; I95-C106 PolarHBondContact N-O 3.47Å; I95-C106 PolarHBondContact O-N 3.27Å; P103-C106 WeakPolarHBondContact O-CB 3.15Å; P103-C106 PolarHBondContact O-N 3.36Å; C106-F108 PolarHBondContact O-N 3.14Å; C106-Y111 HydrophobicContact CB-CD2 4.02Å
107	P	97.8	Very high	98	Very high	58 Å²	58	34.8 Å²	34.8	38%	0.377	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	137.7	166.6	-24	34.6	0	0	0	111.1	F94 D109 T110 Y111	F94-P107 HydrophobicContact CE1-CG 4.34Å; P107-D109 PolarHBondContact O-N 2.99Å; P107-T110 PolarHBondContact O-N 3.19Å; P107-Y111 PolarHBondContact O-N 3.31Å
108	F	98.4	Very high	97.9	Very high	3 Å²	3	37 Å²	37	1%	0.013	21%	0.205	C	C	.	.	H	α-helix	trans	-55	-49.6	-173.4	178.1	-86.2	0	0	0	113.2	L85 S93 I95 C106 T110 Y111 V112 F196 F200	L85-F108 HydrophobicContact CD1-CD2 3.74Å; L85-F108 HydrophobicContact CD1-CE2 4.15Å; S93-F108 VanDerWaalsContact O-CB 3.27Å; S93-F108 WeakPolarHBondContact O-CB 3.37Å; S93-F108 PolarHBondContact O-N 3.43Å; I95-F108 HydrophobicContact CD1-CD2 3.93Å; I95-F108 HydrophobicContact CD1-CE2 4.35Å; I95-F108 HydrophobicContact CG1-CD2 4.04Å; C106-F108 PolarHBondContact O-N 3.14Å; F108-T110 VanDerWaalsContact C-N 3.32Å; F108-T110 PolarHBondContact O-N 3.31Å; F108-Y111 PolarHBondContact O-N 3.32Å; F108-Y111 VanDerWaalsContact O-N 3.14Å; F108-V112 HydrophobicContact CD1-CG2 3.93Å; F108-V112 HydrophobicContact CE1-CG2 3.53Å; F108-V112 HydrophobicContact CE2-CG2 4.27Å; F108-V112 HydrophobicContact CG-CG2 4.46Å; F108-V112 HydrophobicContact CZ-CG2 3.71Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 3.32Å; F108-F196 HydrophobicContact CE2-CD1 4.05Å; F108-F196 AromaticContact CE2-CE1 3.29Å; F108-F196 HydrophobicContact CE2-CE1 3.29Å; F108-F196 HydrophobicContact CE2-CE2 4.38Å; F108-F196 AromaticContact CE2-CZ 3.5Å; F108-F196 HydrophobicContact CE2-CZ 3.5Å; F108-F196 AromaticContact CZ-CD1 3.69Å; F108-F196 HydrophobicContact CZ-CD1 3.69Å; F108-F196 AromaticContact CZ-CE1 3.41Å; F108-F196 HydrophobicContact CZ-CE1 3.41Å; F108-F196 VanDerWaalsContact CZ-CE1 3.41Å; F108-F196 HydrophobicContact CZ-CG 4.5Å; F108-F196 HydrophobicContact CZ-CZ 4.02Å; F108-F200 HydrophobicContact CD2-CB 4.16Å; F108-F200 HydrophobicContact CE1-CB 4.17Å; F108-F200 HydrophobicContact CE2-CB 3.57Å; F108-F200 HydrophobicContact CZ-CB 3.59Å
109	D	97.4	Very high	97.7	Very high	64 Å²	64	37.5 Å²	37.5	34%	0.342	21%	0.208	S	C	.	.	H	α-helix	trans	-62.6	-41.8	-176.1	-58.9	-36.8	0	0	0	111.2	P107 V112 E113 G201 S202	P107-D109 PolarHBondContact O-N 2.99Å; D109-V112 PolarHBondContact O-N 3.49Å; D109-E113 WeakPolarHBondContact O-CB 3.35Å; D109-E113 PolarHBondContact O-N 3.4Å; D109-G201 WeakPolarHBondContact OD1-CA 3.49Å; D109-S202 PolarHBondContact OD1-N 2.87Å; D109-S202 VanDerWaalsContact OD1-N 3.13Å; D109-S202 WeakPolarHBondContact OD2-CB 3.33Å; D109-S202 PolarHBondContact OD2-N 2.94Å; D109-S202 PolarHBondContact OD2-OG 3.01Å
110	T	98.1	Very high	97.5	Very high	56 Å²	56	43.2 Å²	43.2	34%	0.344	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-45.2	174	-54.4	0	0	0	0	111.6	P107 F108 V112 E113 D114	P107-T110 PolarHBondContact O-N 3.19Å; F108-T110 VanDerWaalsContact C-N 3.32Å; F108-T110 PolarHBondContact O-N 3.31Å; T110-V112 PolarHBondContact O-N 3.2Å; T110-E113 PolarHBondContact O-N 3.32Å; T110-D114 WeakPolarHBondContact O-CB 3.44Å; T110-D114 PolarHBondContact O-N 3.42Å
111	Y	98.6	Very high	97.1	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.5	-43.4	179.5	-169.7	-86.5	0	0	0	111.5	I95 D97 T100 L102 C106 P107 F108 A115 F116	I95-Y111 HydrophobicContact CB-CD1 4.14Å; I95-Y111 HydrophobicContact CB-CD2 4.05Å; I95-Y111 HydrophobicContact CB-CG 3.81Å; I95-Y111 HydrophobicContact CG1-CD1 3.95Å; I95-Y111 HydrophobicContact CG1-CG 3.96Å; I95-Y111 HydrophobicContact CG2-CD1 3.83Å; I95-Y111 HydrophobicContact CG2-CD2 3.72Å; I95-Y111 HydrophobicContact CG2-CE1 3.85Å; I95-Y111 HydrophobicContact CG2-CE2 3.75Å; I95-Y111 HydrophobicContact CG2-CG 3.76Å; D97-Y111 HydrophobicContact CB-CE2 3.67Å; D97-Y111 PolarHBondContact OD2-OH 2.88Å; T100-Y111 HydrophobicContact CG2-CE2 4.14Å; L102-Y111 HydrophobicContact CD1-CD2 3.84Å; L102-Y111 HydrophobicContact CD1-CE2 4.41Å; L102-Y111 HydrophobicContact CD1-CG 4.45Å; C106-Y111 HydrophobicContact CB-CD2 4.02Å; P107-Y111 PolarHBondContact O-N 3.31Å; F108-Y111 PolarHBondContact O-N 3.32Å; F108-Y111 VanDerWaalsContact O-N 3.14Å; Y111-A115 HydrophobicContact CD1-CB 4.11Å; Y111-A115 HydrophobicContact CD2-CB 4.33Å; Y111-A115 HydrophobicContact CE1-CB 3.89Å; Y111-A115 HydrophobicContact CE2-CB 4.12Å; Y111-A115 HydrophobicContact CG-CB 4.32Å; Y111-A115 WeakPolarHBondContact O-CA 3.34Å; Y111-A115 WeakPolarHBondContact O-CB 3.49Å; Y111-A115 PolarHBondContact O-N 2.88Å; Y111-F116 HydrophobicContact CD1-CD2 4.48Å; Y111-F116 HydrophobicContact CD1-CE1 4.34Å; Y111-F116 AromaticContact CD1-CE2 4Å; Y111-F116 HydrophobicContact CD1-CE2 4Å; Y111-F116 AromaticContact CD1-CZ 3.93Å; Y111-F116 HydrophobicContact CD1-CZ 3.93Å; Y111-F116 HydrophobicContact CE1-CD1 4.28Å; Y111-F116 AromaticContact CE1-CE1 3.58Å; Y111-F116 HydrophobicContact CE1-CE1 3.58Å; Y111-F116 AromaticContact CE1-CE2 3.94Å; Y111-F116 HydrophobicContact CE1-CE2 3.94Å; Y111-F116 AromaticContact CE1-CZ 3.39Å; Y111-F116 HydrophobicContact CE1-CZ 3.39Å
112	V	98	Very high	96.8	Very high	20 Å²	20	47.9 Å²	47.9	12%	0.121	26%	0.261	C	S	.	.	I	π-helix	trans	-61.4	-49.7	176.2	169.2	0	0	0	0	111	F108 D109 T110 D114 F116 K117 T197	F108-V112 HydrophobicContact CD1-CG2 3.93Å; F108-V112 HydrophobicContact CE1-CG2 3.53Å; F108-V112 HydrophobicContact CE2-CG2 4.27Å; F108-V112 HydrophobicContact CG-CG2 4.46Å; F108-V112 HydrophobicContact CZ-CG2 3.71Å; F108-V112 WeakPolarHBondContact O-CG2 3.47Å; F108-V112 PolarHBondContact O-N 3.32Å; D109-V112 PolarHBondContact O-N 3.49Å; T110-V112 PolarHBondContact O-N 3.2Å; V112-D114 PolarHBondContact O-N 3.47Å; V112-F116 HydrophobicContact CB-CD2 4.36Å; V112-F116 HydrophobicContact CG2-CD2 4.01Å; V112-F116 HydrophobicContact CG2-CE2 4.37Å; V112-F116 CarbonylContact O-C 3.58Å; V112-F116 WeakPolarHBondContact O-CA 3.39Å; V112-F116 WeakPolarHBondContact O-CB 3.35Å; V112-F116 PolarHBondContact O-N 3.09Å; V112-F116 VanDerWaalsContact O-N 3.17Å; V112-K117 PolarHBondContact O-N 2.95Å; V112-T197 HydrophobicContact CB-CG2 4.41Å; V112-T197 HydrophobicContact CG1-CG2 3.44Å; V112-T197 VanDerWaalsContact CG1-CG2 3.44Å; V112-T197 HydrophobicContact CG2-CG2 4.12Å
113	E	97.3	Very high	96.8	Very high	142 Å²	142	52 Å²	52	66%	0.664	28%	0.279	S	S	*	.	I	π-helix	trans	-60.9	-47.8	-177.2	-173.8	174.4	-174.7	0	0	111.5	D109 T110 K117	D109-E113 WeakPolarHBondContact O-CB 3.35Å; D109-E113 PolarHBondContact O-N 3.4Å; T110-E113 PolarHBondContact O-N 3.32Å; E113-K117 WeakPolarHBondContact O-CA 3.35Å; E113-K117 WeakPolarHBondContact O-CG 3.36Å; E113-K117 PolarHBondContact O-N 3.49Å
114	D	97.1	Very high	96.7	Very high	59 Å²	59	51.9 Å²	51.9	32%	0.316	28%	0.278	S	S	.	.	I	π-helix	trans	-88.9	-39.6	-170.9	-76.1	-20.1	0	0	0	114.1	W65 K66 L102 T110 V112	W65-D114 WeakPolarHBondContact CB-O 3.4Å; K66-D114 HydrophobicContact CG-CB 4.23Å; L102-D114 HydrophobicContact CD1-CB 4.04Å; L102-D114 HydrophobicContact CD2-CB 4.18Å; T110-D114 WeakPolarHBondContact O-CB 3.44Å; T110-D114 PolarHBondContact O-N 3.42Å; V112-D114 PolarHBondContact O-N 3.47Å
115	A	97.9	Very high	96.6	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.291	C	S	.	.	I	π-helix	trans	-91	-38.4	-175	0	0	0	0	0	112.1	I64 W65 L102 Y111	I64-A115 HydrophobicContact CG2-CB 4.25Å; W65-A115 PolarHBondContact N-O 2.87Å; L102-A115 HydrophobicContact CD1-CB 4.13Å; Y111-A115 HydrophobicContact CD1-CB 4.11Å; Y111-A115 HydrophobicContact CD2-CB 4.33Å; Y111-A115 HydrophobicContact CE1-CB 3.89Å; Y111-A115 HydrophobicContact CE2-CB 4.12Å; Y111-A115 HydrophobicContact CG-CB 4.32Å; Y111-A115 WeakPolarHBondContact O-CA 3.34Å; Y111-A115 WeakPolarHBondContact O-CB 3.49Å; Y111-A115 PolarHBondContact O-N 2.88Å
116	F	97.1	Very high	96.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-93.4	-43.6	-179.9	-60.1	-27.7	0	0	0	112	I55 I64 Y111 V112 R128 F130 L193 F196	I55-F116 HydrophobicContact CD1-CE1 3.67Å; I55-F116 HydrophobicContact CD1-CZ 3.53Å; I64-F116 HydrophobicContact CD1-CE1 4.42Å; I64-F116 HydrophobicContact CG2-CD1 4.48Å; I64-F116 HydrophobicContact CG2-CE1 4.46Å; Y111-F116 HydrophobicContact CD1-CD2 4.48Å; Y111-F116 HydrophobicContact CD1-CE1 4.34Å; Y111-F116 AromaticContact CD1-CE2 4Å; Y111-F116 HydrophobicContact CD1-CE2 4Å; Y111-F116 AromaticContact CD1-CZ 3.93Å; Y111-F116 HydrophobicContact CD1-CZ 3.93Å; Y111-F116 HydrophobicContact CE1-CD1 4.28Å; Y111-F116 AromaticContact CE1-CE1 3.58Å; Y111-F116 HydrophobicContact CE1-CE1 3.58Å; Y111-F116 AromaticContact CE1-CE2 3.94Å; Y111-F116 HydrophobicContact CE1-CE2 3.94Å; Y111-F116 AromaticContact CE1-CZ 3.39Å; Y111-F116 HydrophobicContact CE1-CZ 3.39Å; V112-F116 HydrophobicContact CB-CD2 4.36Å; V112-F116 HydrophobicContact CG2-CD2 4.01Å; V112-F116 HydrophobicContact CG2-CE2 4.37Å; V112-F116 CarbonylContact O-C 3.58Å; V112-F116 WeakPolarHBondContact O-CA 3.39Å; V112-F116 WeakPolarHBondContact O-CB 3.35Å; V112-F116 PolarHBondContact O-N 3.09Å; V112-F116 VanDerWaalsContact O-N 3.17Å; F116-R128 VanDerWaalsContact CB-NH2 3.35Å; F116-R128 PolarHBondContact O-NH1 2.99Å; F116-R128 VanDerWaalsContact O-NH1 3.17Å; F116-R128 PolarHBondContact O-NH2 2.93Å; F116-F130 HydrophobicContact CD2-CE1 4.01Å; F116-F130 HydrophobicContact CD2-CZ 4.01Å; F116-F130 HydrophobicContact CE1-CE1 4.26Å; F116-F130 HydrophobicContact CE2-CD1 4.48Å; F116-F130 AromaticContact CE2-CE1 3.47Å; F116-F130 HydrophobicContact CE2-CE1 3.47Å; F116-F130 VanDerWaalsContact CE2-CE1 3.47Å; F116-F130 AromaticContact CE2-CZ 3.95Å; F116-F130 HydrophobicContact CE2-CZ 3.95Å; F116-F130 HydrophobicContact CG-CZ 4.45Å; F116-F130 AromaticContact CZ-CE1 3.59Å; F116-F130 HydrophobicContact CZ-CE1 3.59Å; F116-F130 HydrophobicContact CZ-CZ 4.31Å; F116-L193 HydrophobicContact CB-CD1 4.24Å; F116-L193 HydrophobicContact CD2-CD1 4.18Å; F116-F196 HydrophobicContact CE2-CE1 4.15Å
117	K	96.3	Very high	96.6	Very high	81 Å²	81	61.4 Å²	61.4	35%	0.352	32%	0.317	S	S	.	.			trans	59	-171.9	-171.6	-52.2	-179.3	174.9	-178	0	112.2	W65 V112 E113 R128 L193	W65-K117 HydrophobicContact CD2-CD 3.73Å; W65-K117 HydrophobicContact CD2-CG 4.41Å; W65-K117 HydrophobicContact CE3-CD 3.94Å; W65-K117 HydrophobicContact CE3-CG 4.24Å; W65-K117 HydrophobicContact CG-CD 4.12Å; W65-K117 HydrophobicContact CZ2-CD 4.33Å; W65-K117 HydrophobicContact CZ3-CD 4.32Å; W65-K117 VanDerWaalsContact NE1-NZ 3.15Å; V112-K117 PolarHBondContact O-N 2.95Å; E113-K117 WeakPolarHBondContact O-CA 3.35Å; E113-K117 WeakPolarHBondContact O-CG 3.36Å; E113-K117 PolarHBondContact O-N 3.49Å; K117-R128 PolarHBondContact O-NH2 3.05Å; K117-L193 WeakPolarHBondContact O-CD2 3.32Å
118	S	96.3	Very high	96.6	Very high	47 Å²	47	58.8 Å²	58.8	33%	0.329	30%	0.299	S	S	.	.			trans	-71.9	148.6	177	-171	0	0	0	0	112.8	D120 R128	S118-D120 WeakPolarHBondContact OG-CB 3.37Å; S118-D120 PolarHBondContact OG-N 2.85Å; S118-R128 PolarHBondContact O-NH1 2.88Å
119	D	95.4	Very high	96.7	Very high	18 Å²	18	61.4 Å²	61.4	10%	0.096	31%	0.311	C	S	.	.	S	Bend	trans	-85	-11.1	167	-98.3	-12.1	0	0	0	112.6	D121 I122 R127 R128 L193	D119-D121 VanDerWaalsContact C-N 3.35Å; D119-I122 VanDerWaalsContact OD1-CD1 3.31Å; D119-I122 WeakPolarHBondContact OD1-CD1 3.35Å; D119-R127 HydrophobicContact CB-CG 3.94Å; D119-R127 PolarHBondContact O-NE 3.4Å; D119-R127 PolarHBondContact O-NH2 3.27Å; D119-R127 WeakPolarHBondContact OD1-CA 3.39Å; D119-R128 IonicContact OD1-CZ 3.61Å; D119-R128 PolarHBondContact OD1-N 2.88Å; D119-R128 IonicContact OD1-NE 3.47Å; D119-R128 PolarHBondContact OD1-NE 3.25Å; D119-R128 IonicContact OD1-NH1 2.74Å; D119-R128 PolarHBondContact OD1-NH1 3.07Å; D119-R128 IonicContact OD1-NH2 2.7Å; D119-R128 PolarHBondContact OD2-N 2.65Å; D119-L193 HydrophobicContact CB-CD2 3.98Å
120	D	94	Very high	96.7	Very high	129 Å²	129	58.4 Å²	58.4	69%	0.69	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-29.3	179.4	-66.6	-31.5	0	0	0	112.2	S118 I122	S118-D120 WeakPolarHBondContact OG-CB 3.37Å; S118-D120 PolarHBondContact OG-N 2.85Å; D120-I122 VanDerWaalsContact C-N 3.34Å
121	D	88.4	Confident	96.8	Very high	143 Å²	143	55.8 Å²	55.8	77%	0.765	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	0	-178.7	-60.1	-45.8	0	0	0	113.5	D119	D119-D121 VanDerWaalsContact C-N 3.35Å
122	I	93.4	Very high	96.8	Very high	30 Å²	30	56.2 Å²	56.2	15%	0.154	28%	0.281	C	S	.	.	S	Bend	trans	-120.2	150.7	-179.8	69.1	170.2	0	0	0	112.5	P63 W65 D119 D120 F126 R127 R128	P63-I122 HydrophobicContact CG-CD1 3.84Å; W65-I122 HydrophobicContact CH2-CG2 4.34Å; D119-I122 VanDerWaalsContact OD1-CD1 3.31Å; D119-I122 WeakPolarHBondContact OD1-CD1 3.35Å; D120-I122 VanDerWaalsContact C-N 3.34Å; I122-F126 HydrophobicContact CD1-CB 3.9Å; I122-F126 WeakPolarHBondContact CD1-O 3.45Å; I122-R127 HydrophobicContact CD1-CG 4.38Å; I122-R127 HydrophobicContact CG1-CG 4.13Å; I122-R128 VanDerWaalsContact CD1-NH1 3.31Å
123	H	96.5	Very high	96.8	Very high	105 Å²	105	55.2 Å²	55.2	49%	0.486	28%	0.275	S	S	.	.			trans	-59.4	138.8	177.8	-172.8	-92.3	0	0	0	110.5	Q125 F126	H123-Q125 PolarHBondContact ND1-N 3.33Å; H123-Q125 PolarHBondContact O-N 2.96Å; H123-F126 HydrophobicContact CB-CD2 3.94Å; H123-F126 HydrophobicContact CB-CE2 4.36Å; H123-F126 PolarHBondContact O-N 2.98Å
124	P	97.1	Very high	96.9	Very high	81 Å²	81	53.8 Å²	53.8	53%	0.526	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-52.3	-29.8	-173.3	-31.8	36.6	0	0	0	116	F126 R127	P124-F126 PolarHBondContact O-N 3.43Å; P124-R127 PolarHBondContact O-N 2.94Å
125	Q	97.2	Very high	97	Very high	90 Å²	90	51 Å²	51	42%	0.421	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-67.5	-15.5	177.7	-67.5	178.7	-4.8	0	0	114.5	N57 R59 H123	N57-Q125 PolarHBondContact ND2-O 2.86Å; N57-Q125 VanDerWaalsContact ND2-O 3.09Å; R59-Q125 HydrophobicContact CG-CB 4.35Å; H123-Q125 PolarHBondContact ND1-N 3.33Å; H123-Q125 PolarHBondContact O-N 2.96Å
126	F	98	Very high	97	Very high	65 Å²	65	53.3 Å²	53.3	29%	0.285	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-104	-5.1	178.7	-64.5	-56.4	0	0	0	113	M61 P63 I122 H123 P124	M61-F126 HydrophobicContact CB-CD1 3.89Å; M61-F126 HydrophobicContact CB-CE1 3.91Å; M61-F126 HydrophobicContact CE-CE1 4.06Å; M61-F126 WeakPolarHBondContact O-CA 3.29Å; M61-F126 WeakPolarHBondContact O-CD1 3.26Å; M61-F126 HydrophobicContact SD-CE1 4.09Å; P63-F126 WeakPolarHBondContact CD-O 3.46Å; P63-F126 HydrophobicContact CG-CB 4.31Å; I122-F126 HydrophobicContact CD1-CB 3.9Å; I122-F126 WeakPolarHBondContact CD1-O 3.45Å; H123-F126 HydrophobicContact CB-CD2 3.94Å; H123-F126 HydrophobicContact CB-CE2 4.36Å; H123-F126 PolarHBondContact O-N 2.98Å; P124-F126 PolarHBondContact O-N 3.43Å
127	R	98.4	Very high	97.1	Very high	99 Å²	99	54.8 Å²	54.8	37%	0.374	27%	0.271	S	S	.	.			trans	-60.9	140.8	-179	-70.8	-177.4	176	179.5	-5.6	110.9	N57 D119 I122 P124	N57-R127 VanDerWaalsContact CB-O 3.28Å; N57-R127 WeakPolarHBondContact CB-O 3.07Å; N57-R127 PolarHBondContact ND2-O 2.79Å; D119-R127 HydrophobicContact CB-CG 3.94Å; D119-R127 PolarHBondContact O-NE 3.4Å; D119-R127 PolarHBondContact O-NH2 3.27Å; D119-R127 WeakPolarHBondContact OD1-CA 3.39Å; I122-R127 HydrophobicContact CD1-CG 4.38Å; I122-R127 HydrophobicContact CG1-CG 4.13Å; P124-R127 PolarHBondContact O-N 2.94Å
128	R	98.6	Very high	97.2	Very high	2 Å²	2	51 Å²	51	1%	0.008	26%	0.255	C	S	.	.			trans	-93.7	141.8	-171	-61.3	86.7	58.3	-177.1	2.7	110.4	I55 I62 F116 K117 S118 D119 I122 F130	I55-R128 HydrophobicContact CG2-CB 4.09Å; I55-R128 HydrophobicContact CG2-CG 4.29Å; I62-R128 HydrophobicContact CB-CG 3.89Å; I62-R128 HydrophobicContact CG2-CB 4.38Å; I62-R128 HydrophobicContact CG2-CG 3.82Å; F116-R128 VanDerWaalsContact CB-NH2 3.35Å; F116-R128 PolarHBondContact O-NH1 2.99Å; F116-R128 VanDerWaalsContact O-NH1 3.17Å; F116-R128 PolarHBondContact O-NH2 2.93Å; K117-R128 PolarHBondContact O-NH2 3.05Å; S118-R128 PolarHBondContact O-NH1 2.88Å; D119-R128 IonicContact OD1-CZ 3.61Å; D119-R128 PolarHBondContact OD1-N 2.88Å; D119-R128 IonicContact OD1-NE 3.47Å; D119-R128 PolarHBondContact OD1-NE 3.25Å; D119-R128 IonicContact OD1-NH1 2.74Å; D119-R128 PolarHBondContact OD1-NH1 3.07Å; D119-R128 IonicContact OD1-NH2 2.7Å; D119-R128 PolarHBondContact OD2-N 2.65Å; I122-R128 VanDerWaalsContact CD1-NH1 3.31Å; R128-F130 HydrophobicContact CB-CE2 3.83Å; R128-F130 HydrophobicContact CB-CZ 3.78Å
129	K	98.8	Very high	97.3	Very high	59 Å²	59	49.9 Å²	49.9	26%	0.257	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	154.8	165.6	-68.8	-177.3	174.2	-174.6	0	109.5	I55 S56 E58 M181 V190 Y191	I55-K129 WeakPolarHBondContact CA-O 3.22Å; S56-K129 PolarHBondContact N-O 3.34Å; S56-K129 VanDerWaalsContact N-O 3.14Å; S56-K129 PolarHBondContact O-N 3.33Å; E58-K129 WeakPolarHBondContact OE1-CE 3.13Å; E58-K129 IonicContact OE1-NZ 3.69Å; E58-K129 PolarHBondContact OE1-NZ 3.22Å; K129-M181 HydrophobicContact CB-CB 3.93Å; K129-M181 HydrophobicContact CB-CG 3.72Å; K129-M181 HydrophobicContact CB-SD 3.68Å; K129-M181 HydrophobicContact CD-CB 3.72Å; K129-M181 HydrophobicContact CD-CG 4.4Å; K129-M181 HydrophobicContact CG-CB 4.48Å; K129-V190 HydrophobicContact CB-CG1 4.28Å; K129-V190 HydrophobicContact CD-CG1 4.43Å; K129-Y191 CarbonylContact C-O 3.53Å; K129-Y191 WeakPolarHBondContact CA-O 3.38Å
130	F	98.9	Very high	97.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	108.9	-170	-58.9	-92.4	0	0	0	109.1	V53 F54 I55 F116 R128 V132 V190 Y191 L193 F196	V53-F130 HydrophobicContact CG1-CB 4.23Å; V53-F130 HydrophobicContact CG1-CD1 4Å; F54-F130 CarbonylContact O-C 3.56Å; F54-F130 WeakPolarHBondContact O-CA 3.34Å; I55-F130 HydrophobicContact CB-CE1 4.48Å; I55-F130 HydrophobicContact CD1-CE1 4.27Å; I55-F130 HydrophobicContact CG1-CD1 3.95Å; I55-F130 HydrophobicContact CG1-CE1 4.04Å; I55-F130 HydrophobicContact CG2-CD1 4.06Å; I55-F130 HydrophobicContact CG2-CE1 3.69Å; I55-F130 HydrophobicContact CG2-CZ 4.18Å; F116-F130 HydrophobicContact CD2-CE1 4.01Å; F116-F130 HydrophobicContact CD2-CZ 4.01Å; F116-F130 HydrophobicContact CE1-CE1 4.26Å; F116-F130 HydrophobicContact CE2-CD1 4.48Å; F116-F130 AromaticContact CE2-CE1 3.47Å; F116-F130 HydrophobicContact CE2-CE1 3.47Å; F116-F130 VanDerWaalsContact CE2-CE1 3.47Å; F116-F130 AromaticContact CE2-CZ 3.95Å; F116-F130 HydrophobicContact CE2-CZ 3.95Å; F116-F130 HydrophobicContact CG-CZ 4.45Å; F116-F130 AromaticContact CZ-CE1 3.59Å; F116-F130 HydrophobicContact CZ-CE1 3.59Å; F116-F130 HydrophobicContact CZ-CZ 4.31Å; R128-F130 HydrophobicContact CB-CE2 3.83Å; R128-F130 HydrophobicContact CB-CZ 3.78Å; F130-V132 HydrophobicContact CB-CG2 4.48Å; F130-V190 CarbonylContact O-C 3.53Å; F130-V190 WeakPolarHBondContact O-CA 3.45Å; F130-Y191 PolarHBondContact N-O 2.88Å; F130-Y191 PolarHBondContact O-N 3.39Å; F130-L193 HydrophobicContact CE2-CB 3.88Å; F130-L193 HydrophobicContact CE2-CD1 3.72Å; F130-L193 HydrophobicContact CE2-CG 4.43Å; F130-L193 HydrophobicContact CZ-CD1 3.67Å; F130-F196 HydrophobicContact CB-CB 4.35Å; F130-F196 HydrophobicContact CB-CD2 3.87Å; F130-F196 HydrophobicContact CB-CE2 4.37Å; F130-F196 HydrophobicContact CB-CG 4.11Å; F130-F196 HydrophobicContact CD1-CD1 4.03Å; F130-F196 HydrophobicContact CD1-CD2 4.37Å; F130-F196 HydrophobicContact CD1-CE1 4.1Å; F130-F196 HydrophobicContact CD1-CE2 4.45Å; F130-F196 HydrophobicContact CD1-CG 4.16Å; F130-F196 HydrophobicContact CD1-CZ 4.3Å; F130-F196 HydrophobicContact CD2-CB 3.95Å; F130-F196 HydrophobicContact CD2-CD1 4.42Å; F130-F196 HydrophobicContact CD2-CG 4.15Å; F130-F196 HydrophobicContact CE1-CD1 4.21Å; F130-F196 HydrophobicContact CE1-CE1 4.28Å; F130-F196 HydrophobicContact CG-CB 4.12Å; F130-F196 HydrophobicContact CG-CD1 4.14Å; F130-F196 HydrophobicContact CG-CD2 4.08Å; F130-F196 AromaticContact CG-CG 3.85Å; F130-F196 HydrophobicContact CG-CG 3.85Å
131	R	98.9	Very high	97.7	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.8	166.3	-179.9	-176.1	-70.5	-80.2	-3.4	108.5	V53 F54 I133 D177 F178 S180 M181 D182 V185 W187 A189 V190	V53-R131 CarbonylContact C-O 3.59Å; V53-R131 WeakPolarHBondContact CA-O 3.42Å; F54-R131 HydrophobicContact CB-CB 4.21Å; F54-R131 PolarHBondContact N-O 3.46Å; F54-R131 PolarHBondContact O-N 3Å; R131-I133 HydrophobicContact CB-CD1 4.39Å; R131-I133 HydrophobicContact CG-CD1 3.64Å; R131-I133 HydrophobicContact CG-CG1 3.97Å; R131-D177 PolarHBondContact NE-O 2.95Å; R131-F178 VanDerWaalsContact CD-O 3.29Å; R131-F178 WeakPolarHBondContact CD-O 3.41Å; R131-F178 PolarHBondContact NE-O 3.49Å; R131-S180 VanDerWaalsContact CZ-O 3.25Å; R131-S180 PolarHBondContact NE-O 3.05Å; R131-S180 PolarHBondContact NH2-O 2.79Å; R131-M181 HydrophobicContact CB-CE 3.73Å; R131-M181 HydrophobicContact CB-SD 4.05Å; R131-D182 PolarHBondContact NH2-O 2.96Å; R131-V185 PolarHBondContact NH1-O 3Å; R131-V185 PolarHBondContact NH2-O 2.58Å; R131-W187 WeakPolarHBondContact CD-O 3.27Å; R131-W187 PolarHBondContact NH1-O 3.32Å; R131-A189 CarbonylContact C-O 3.47Å; R131-A189 WeakPolarHBondContact CA-O 3.4Å; R131-V190 HydrophobicContact CB-CG2 4.24Å; R131-V190 HydrophobicContact CG-CG2 4.39Å
132	V	98.9	Very high	98.2	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	114.2	-177.9	-176.3	0	0	0	0	109	Y51 V53 F130 G188 A189 Y191 F196 F200	Y51-V132 HydrophobicContact CD1-CG1 3.64Å; Y51-V132 HydrophobicContact CG-CG1 3.89Å; V53-V132 HydrophobicContact CG1-CG2 4.2Å; V53-V132 HydrophobicContact CG2-CG1 4.32Å; V53-V132 HydrophobicContact CG2-CG2 4.22Å; F130-V132 HydrophobicContact CB-CG2 4.48Å; V132-G188 VanDerWaalsContact O-CA 3.24Å; V132-G188 WeakPolarHBondContact O-CA 3.38Å; V132-A189 PolarHBondContact N-O 2.82Å; V132-A189 PolarHBondContact O-N 3.39Å; V132-A189 VanDerWaalsContact O-N 3.1Å; V132-Y191 HydrophobicContact CB-CD2 4.26Å; V132-Y191 HydrophobicContact CB-CE2 3.95Å; V132-Y191 HydrophobicContact CG2-CD2 3.72Å; V132-Y191 HydrophobicContact CG2-CE2 3.87Å; V132-F196 HydrophobicContact CG2-CD2 3.87Å; V132-F196 HydrophobicContact CG2-CE2 3.72Å; V132-F200 HydrophobicContact CG1-CE2 4.31Å; V132-F200 HydrophobicContact CG1-CZ 3.98Å; V132-F200 HydrophobicContact CG2-CE2 4.12Å
133	I	98.9	Very high	98.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.3	-177.8	-47.8	94.2	0	0	0	108.3	Y51 A52 F54 R131 A135 F178 W187	Y51-I133 CarbonylContact C-O 3.58Å; Y51-I133 WeakPolarHBondContact CA-O 3.43Å; Y51-I133 WeakPolarHBondContact CB-O 3.26Å; A52-I133 PolarHBondContact N-O 3.49Å; A52-I133 WeakPolarHBondContact O-CD1 3.21Å; A52-I133 PolarHBondContact O-N 3.36Å; F54-I133 HydrophobicContact CD2-CD1 3.65Å; F54-I133 HydrophobicContact CE2-CD1 4.2Å; R131-I133 HydrophobicContact CB-CD1 4.39Å; R131-I133 HydrophobicContact CG-CD1 3.64Å; R131-I133 HydrophobicContact CG-CG1 3.97Å; I133-A135 PolarHBondContact O-N 2.99Å; I133-F178 HydrophobicContact CD1-CD1 4.04Å; I133-F178 HydrophobicContact CG1-CD1 4.2Å; I133-F178 HydrophobicContact CG1-CE1 4.32Å; I133-W187 HydrophobicContact CG2-CB 4.14Å
134	R	98.7	Very high	98.6	Very high	112 Å²	112	38.3 Å²	38.3	42%	0.423	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	140.8	172.1	-75.3	173.1	47.3	159.9	-5.1	110.6	Y51 D136 S137 Y138	Y51-R134 HydrophobicContact CD1-CB 4.32Å; Y51-R134 HydrophobicContact CD1-CG 3.76Å; Y51-R134 HydrophobicContact CE1-CB 4.37Å; Y51-R134 HydrophobicContact CE1-CG 3.37Å; R134-D136 VanDerWaalsContact C-N 3.28Å; R134-D136 WeakPolarHBondContact CB-OD1 3.33Å; R134-D136 IonicContact CZ-OD1 3.96Å; R134-D136 IonicContact CZ-OD2 3.65Å; R134-D136 IonicContact NE-OD1 3.62Å; R134-D136 PolarHBondContact NE-OD1 3.38Å; R134-D136 VanDerWaalsContact NE-OD1 3.15Å; R134-D136 IonicContact NE-OD2 3.37Å; R134-D136 IonicContact NH2-OD1 3.65Å; R134-D136 IonicContact NH2-OD2 2.73Å; R134-D136 PolarHBondContact NH2-OD2 3.14Å; R134-D136 PolarHBondContact O-N 3.23Å; R134-S137 CarbonylContact O-C 3.55Å; R134-S137 WeakPolarHBondContact O-CA 3.48Å; R134-S137 WeakPolarHBondContact O-CB 3.41Å; R134-S137 PolarHBondContact O-N 2.84Å; R134-Y138 PolarHBondContact O-N 2.88Å
135	A	98.8	Very high	98.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-60.8	-34.7	-173.5	0	0	0	0	0	113.2	C36 L47 C50 I133 Y138 L139	C36-A135 HydrophobicContact CB-CB 4.2Å; C36-A135 VanDerWaalsContact SG-CB 3.6Å; L47-A135 HydrophobicContact CD1-CB 3.55Å; L47-A135 HydrophobicContact CG-CB 3.91Å; C50-A135 HydrophobicContact CB-CB 3.8Å; C50-A135 VanDerWaalsContact O-CB 3.31Å; C50-A135 WeakPolarHBondContact O-CB 3.33Å; C50-A135 PolarHBondContact O-N 2.87Å; I133-A135 PolarHBondContact O-N 2.99Å; A135-Y138 PolarHBondContact O-N 3.41Å; A135-L139 WeakPolarHBondContact O-CG 3.47Å; A135-L139 PolarHBondContact O-N 3.17Å
136	D	98.6	Very high	98.7	Very high	49 Å²	49	33.9 Å²	33.9	26%	0.262	15%	0.154	S	C	.	.	H	α-helix	trans	-63.8	-42.7	173.9	59.5	-14.5	0	0	0	112.6	L47 R134 Y138 K140	L47-D136 HydrophobicContact CD2-CB 3.84Å; L47-D136 HydrophobicContact CG-CB 4.36Å; R134-D136 VanDerWaalsContact C-N 3.28Å; R134-D136 WeakPolarHBondContact CB-OD1 3.33Å; R134-D136 IonicContact CZ-OD1 3.96Å; R134-D136 IonicContact CZ-OD2 3.65Å; R134-D136 IonicContact NE-OD1 3.62Å; R134-D136 PolarHBondContact NE-OD1 3.38Å; R134-D136 VanDerWaalsContact NE-OD1 3.15Å; R134-D136 IonicContact NE-OD2 3.37Å; R134-D136 IonicContact NH2-OD1 3.65Å; R134-D136 IonicContact NH2-OD2 2.73Å; R134-D136 PolarHBondContact NH2-OD2 3.14Å; R134-D136 PolarHBondContact O-N 3.23Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; D136-K140 VanDerWaalsContact O-CB 3.31Å; D136-K140 WeakPolarHBondContact O-CB 3.35Å; D136-K140 PolarHBondContact O-N 3.5Å; D136-K140 VanDerWaalsContact O-N 3.14Å
137	S	98.8	Very high	98.7	Very high	31 Å²	31	33.5 Å²	33.5	22%	0.217	16%	0.159	C	C	.	.	H	α-helix	trans	-66.4	-36.8	172	-172	0	0	0	0	111.7	R134 K140 N141	R134-S137 CarbonylContact O-C 3.55Å; R134-S137 WeakPolarHBondContact O-CA 3.48Å; R134-S137 WeakPolarHBondContact O-CB 3.41Å; R134-S137 PolarHBondContact O-N 2.84Å; S137-K140 PolarHBondContact O-N 3.43Å; S137-N141 WeakPolarHBondContact O-CB 3.43Å; S137-N141 PolarHBondContact O-N 2.73Å; S137-N141 VanDerWaalsContact O-N 3.1Å; S137-N141 PolarHBondContact O-ND2 3.02Å; S137-N141 PolarHBondContact OG-ND2 2.85Å
138	Y	98.9	Very high	98.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.8	-51.5	178.5	-172.6	-127.3	0	0	0	111.4	E29 I32 W33 A52 F54 R134 A135 D136 K140 N141 F142 F178	E29-Y138 PolarHBondContact O-OH 2.88Å; I32-Y138 HydrophobicContact CG2-CE1 4.4Å; W33-Y138 HydrophobicContact CB-CD1 4.41Å; W33-Y138 HydrophobicContact CB-CE1 3.64Å; W33-Y138 AromaticContact CD1-CE1 3.86Å; W33-Y138 HydrophobicContact CG-CE1 4.14Å; A52-Y138 HydrophobicContact CB-CD1 3.57Å; A52-Y138 HydrophobicContact CB-CD2 4.08Å; A52-Y138 HydrophobicContact CB-CE1 3.91Å; A52-Y138 HydrophobicContact CB-CE2 4.41Å; A52-Y138 HydrophobicContact CB-CG 3.66Å; F54-Y138 HydrophobicContact CE2-CD2 4.28Å; F54-Y138 AromaticContact CE2-CE2 3.5Å; F54-Y138 HydrophobicContact CE2-CE2 3.5Å; F54-Y138 VanDerWaalsContact CE2-CE2 3.5Å; F54-Y138 AromaticContact CE2-CZ 3.86Å; F54-Y138 AromaticContact CZ-CE2 3.79Å; F54-Y138 HydrophobicContact CZ-CE2 3.79Å; R134-Y138 PolarHBondContact O-N 2.88Å; A135-Y138 PolarHBondContact O-N 3.41Å; D136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-K140 PolarHBondContact O-N 2.63Å; Y138-N141 PolarHBondContact O-N 3.3Å; Y138-F142 HydrophobicContact CD2-CB 3.75Å; Y138-F142 HydrophobicContact CD2-CD2 4.34Å; Y138-F142 HydrophobicContact CD2-CG 4.19Å; Y138-F142 HydrophobicContact CE2-CB 3.54Å; Y138-F142 HydrophobicContact CE2-CD1 4.28Å; Y138-F142 AromaticContact CE2-CD2 3.4Å; Y138-F142 HydrophobicContact CE2-CD2 3.4Å; Y138-F142 HydrophobicContact CE2-CE2 4.17Å; Y138-F142 AromaticContact CE2-CG 3.46Å; Y138-F142 HydrophobicContact CE2-CG 3.46Å; Y138-F142 VanDerWaalsContact CE2-CG 3.46Å; Y138-F142 HydrophobicContact CG-CB 4.47Å; Y138-F142 AromaticContact CZ-CD2 3.89Å; Y138-F142 AromaticContact CZ-CG 3.76Å; Y138-F142 WeakPolarHBondContact O-CB 3.33Å; Y138-F142 PolarHBondContact O-N 3.22Å; Y138-F178 HydrophobicContact CD2-CD1 4.09Å; Y138-F178 AromaticContact CD2-CE1 3.68Å; Y138-F178 HydrophobicContact CD2-CE1 3.68Å; Y138-F178 HydrophobicContact CD2-CZ 4.36Å; Y138-F178 HydrophobicContact CE2-CD1 4.05Å; Y138-F178 AromaticContact CE2-CE1 4Å; Y138-F178 HydrophobicContact CE2-CE1 4Å
139	L	98.8	Very high	98.6	Very high	24 Å²	24	32 Å²	32	13%	0.126	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-34.6	177.3	-69.9	-179.6	0	0	0	113	W33 C36 E37 K40 L47 A135	W33-L139 HydrophobicContact CD2-CD2 3.72Å; W33-L139 VanDerWaalsContact CE2-CD2 3.43Å; W33-L139 HydrophobicContact CE3-CD2 4.38Å; W33-L139 HydrophobicContact CG-CD2 3.98Å; W33-L139 HydrophobicContact CH2-CD2 4.46Å; W33-L139 HydrophobicContact CZ2-CD2 3.85Å; C36-L139 HydrophobicContact CB-CD1 4.13Å; C36-L139 HydrophobicContact CB-CD2 3.72Å; C36-L139 HydrophobicContact CB-CG 3.85Å; E37-L139 HydrophobicContact CB-CD2 4.29Å; K40-L139 HydrophobicContact CB-CD1 3.99Å; K40-L139 HydrophobicContact CD-CD1 3.6Å; K40-L139 HydrophobicContact CG-CD1 4.38Å; L47-L139 HydrophobicContact CD2-CD1 4.02Å; A135-L139 WeakPolarHBondContact O-CG 3.47Å; A135-L139 PolarHBondContact O-N 3.17Å
140	K	98.7	Very high	98.6	Very high	158 Å²	158	33.5 Å²	33.5	69%	0.687	16%	0.163	S	C	*	.	H	α-helix	trans	-73.4	-37.6	-179.3	-179.1	178.4	176.9	-175.6	0	113.1	D136 S137 Y138 T168	D136-K140 VanDerWaalsContact O-CB 3.31Å; D136-K140 WeakPolarHBondContact O-CB 3.35Å; D136-K140 PolarHBondContact O-N 3.5Å; D136-K140 VanDerWaalsContact O-N 3.14Å; S137-K140 PolarHBondContact O-N 3.43Å; Y138-K140 PolarHBondContact O-N 2.63Å; K140-T168 WeakPolarHBondContact O-CG2 3.45Å
141	N	98.8	Very high	98.4	Very high	25 Å²	25	36.1 Å²	36.1	13%	0.134	18%	0.177	C	C	.	.	H	α-helix	trans	-114.1	-21.4	-163.7	-60.4	-77.1	0	0	0	114.3	S137 Y138 N174 F178 W187	S137-N141 WeakPolarHBondContact O-CB 3.43Å; S137-N141 PolarHBondContact O-N 2.73Å; S137-N141 VanDerWaalsContact O-N 3.1Å; S137-N141 PolarHBondContact O-ND2 3.02Å; S137-N141 PolarHBondContact OG-ND2 2.85Å; Y138-N141 PolarHBondContact O-N 3.3Å; N141-N174 PolarHBondContact O-ND2 3.06Å; N141-F178 HydrophobicContact CB-CZ 4.46Å; N141-W187 HydrophobicContact CB-CD2 3.96Å; N141-W187 HydrophobicContact CB-CE3 4.43Å; N141-W187 HydrophobicContact CB-CG 4.45Å; N141-W187 HydrophobicContact CB-CH2 4.27Å; N141-W187 HydrophobicContact CB-CZ2 3.75Å; N141-W187 PolarHBondContact OD1-NE1 3.06Å
142	F	98.9	Very high	98.3	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.22	C	C	.	.			trans	-69.3	133.9	-176.6	179.5	-103.2	0	0	0	112.2	E29 E30 W33 F54 Y138 I166 T168 L175 F178	E29-F142 HydrophobicContact CB-CE2 4.27Å; E29-F142 HydrophobicContact CB-CZ 3.92Å; E29-F142 HydrophobicContact CG-CE1 4.31Å; E29-F142 HydrophobicContact CG-CE2 4.2Å; E29-F142 HydrophobicContact CG-CZ 3.49Å; E29-F142 VanDerWaalsContact CG-CZ 3.49Å; E30-F142 HydrophobicContact CG-CE1 4.49Å; W33-F142 AromaticContact CD1-CD1 3.69Å; W33-F142 HydrophobicContact CG-CD1 4.38Å; F54-F142 HydrophobicContact CZ-CE2 4.25Å; Y138-F142 HydrophobicContact CD2-CB 3.75Å; Y138-F142 HydrophobicContact CD2-CD2 4.34Å; Y138-F142 HydrophobicContact CD2-CG 4.19Å; Y138-F142 HydrophobicContact CE2-CB 3.54Å; Y138-F142 HydrophobicContact CE2-CD1 4.28Å; Y138-F142 AromaticContact CE2-CD2 3.4Å; Y138-F142 HydrophobicContact CE2-CD2 3.4Å; Y138-F142 HydrophobicContact CE2-CE2 4.17Å; Y138-F142 AromaticContact CE2-CG 3.46Å; Y138-F142 HydrophobicContact CE2-CG 3.46Å; Y138-F142 VanDerWaalsContact CE2-CG 3.46Å; Y138-F142 HydrophobicContact CG-CB 4.47Å; Y138-F142 AromaticContact CZ-CD2 3.89Å; Y138-F142 AromaticContact CZ-CG 3.76Å; Y138-F142 WeakPolarHBondContact O-CB 3.33Å; Y138-F142 PolarHBondContact O-N 3.22Å; F142-I166 HydrophobicContact CD1-CB 4.43Å; F142-I166 HydrophobicContact CD1-CD1 4.44Å; F142-I166 HydrophobicContact CD1-CG2 4.01Å; F142-I166 HydrophobicContact CE1-CB 4.49Å; F142-I166 HydrophobicContact CE1-CD1 4.25Å; F142-T168 WeakPolarHBondContact O-CG2 3.16Å; F142-L175 HydrophobicContact CE2-CB 4.49Å; F142-L175 HydrophobicContact CE2-CD1 3.83Å; F142-L175 HydrophobicContact CZ-CD1 4.28Å; F142-F178 HydrophobicContact CB-CE2 4.3Å; F142-F178 HydrophobicContact CB-CZ 4.02Å; F142-F178 AromaticContact CD2-CD2 3.83Å; F142-F178 HydrophobicContact CD2-CD2 3.83Å; F142-F178 AromaticContact CD2-CE2 3.81Å; F142-F178 HydrophobicContact CD2-CE2 3.81Å; F142-F178 HydrophobicContact CD2-CG 4.22Å; F142-F178 HydrophobicContact CD2-CZ 4.16Å; F142-F178 HydrophobicContact CE2-CD2 4.39Å
143	A	98.9	Very high	98.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.248	C	C	.	.			trans	-143	134.9	172.7	0	0	0	0	0	111.4	I166 T168 S171 M173 N174 L175	A143-I166 CarbonylContact C-O 3.59Å; A143-I166 VanDerWaalsContact CA-O 3.26Å; A143-I166 WeakPolarHBondContact CA-O 3.31Å; A143-T168 HydrophobicContact CB-CG2 4.44Å; A143-S171 WeakPolarHBondContact CB-O 3.36Å; A143-M173 WeakPolarHBondContact O-CA 3.28Å; A143-N174 PolarHBondContact N-OD1 3.08Å; A143-N174 PolarHBondContact O-N 2.74Å; A143-N174 PolarHBondContact O-OD1 3.37Å; A143-L175 PolarHBondContact O-N 2.73Å
144	S	98.8	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-141.5	118.8	175.8	-179.9	0	0	0	0	110.3	R146 C165 I166 K172	S144-R146 PolarHBondContact O-N 3.28Å; S144-R146 PolarHBondContact OG-N 2.61Å; S144-C165 WeakPolarHBondContact O-CB 3.42Å; S144-I166 PolarHBondContact N-O 2.83Å; S144-K172 CarbonylContact C-O 3.55Å; S144-K172 VanDerWaalsContact C-O 3.31Å
145	D	98.6	Very high	97.9	Very high	65 Å²	65	47.5 Å²	47.5	35%	0.348	27%	0.274	S	S	.	.			trans	-83.5	2.8	171.6	70.3	-0	0	0	0	112.3	S147 K172 M173	D145-S147 PolarHBondContact O-N 2.88Å; D145-S147 VanDerWaalsContact O-N 3.13Å; D145-S147 WeakPolarHBondContact OD1-CB 3.47Å; D145-S147 PolarHBondContact OD1-N 3.44Å; D145-S147 PolarHBondContact OD1-OG 3.44Å; D145-K172 PolarHBondContact N-O 3.01Å; D145-M173 HydrophobicContact CB-CB 4.3Å
146	R	98.7	Very high	97.9	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.049	29%	0.292	C	S	.	.			trans	60.9	11.8	-177.9	-53.8	171.9	-177.7	153.2	5	114.3	Y27 E30 S144 H148 M149 W156 P161 Y163 P164	Y27-R146 HydrophobicContact CE1-CB 4.28Å; Y27-R146 HydrophobicContact CE1-CG 4.13Å; E30-R146 WeakPolarHBondContact OE1-CD 3.36Å; E30-R146 VanDerWaalsContact OE1-CG 3.25Å; E30-R146 WeakPolarHBondContact OE1-CG 3.25Å; E30-R146 IonicContact OE1-CZ 3.82Å; E30-R146 IonicContact OE1-NE 2.63Å; E30-R146 PolarHBondContact OE1-NE 3.09Å; E30-R146 IonicContact OE1-NH2 2.75Å; E30-R146 IonicContact OE2-CZ 3.51Å; E30-R146 IonicContact OE2-NE 3.94Å; E30-R146 PolarHBondContact OE2-NE 3.22Å; E30-R146 IonicContact OE2-NH2 3.15Å; E30-R146 PolarHBondContact OE2-NH2 3.35Å; S144-R146 PolarHBondContact O-N 3.28Å; S144-R146 PolarHBondContact OG-N 2.61Å; R146-H148 PolarHBondContact O-N 2.88Å; R146-H148 VanDerWaalsContact O-N 3.15Å; R146-M149 PolarHBondContact O-N 3.13Å; R146-W156 HydrophobicContact CB-CH2 3.89Å; R146-W156 HydrophobicContact CB-CZ3 3.77Å; R146-W156 WeakPolarHBondContact O-CZ3 3.49Å; R146-P161 PolarHBondContact NH1-O 3.41Å; R146-P161 VanDerWaalsContact NH1-O 3.08Å; R146-Y163 PolarHBondContact NH1-O 2.58Å; R146-Y163 PolarHBondContact NH2-O 3.39Å; R146-P164 PolarHBondContact NH2-O 3.49Å
147	S	98.1	Very high	97.8	Very high	56 Å²	56	57.7 Å²	57.7	39%	0.392	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-57.1	-32.4	-179	57.1	0	0	0	0	113.1	D145 M149 K150	D145-S147 PolarHBondContact O-N 2.88Å; D145-S147 VanDerWaalsContact O-N 3.13Å; D145-S147 WeakPolarHBondContact OD1-CB 3.47Å; D145-S147 PolarHBondContact OD1-N 3.44Å; D145-S147 PolarHBondContact OD1-OG 3.44Å; S147-M149 PolarHBondContact O-N 3.3Å; S147-K150 PolarHBondContact O-N 3.21Å; S147-K150 VanDerWaalsContact O-N 3.09Å
148	H	97.3	Very high	97.7	Very high	53 Å²	53	60.1 Å²	60.1	25%	0.245	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.8	-23.6	177.6	76.6	-77.3	0	0	0	113.9	E29 Y80 R146 K150 M173 L175	E29-H148 IonicContact OE1-CE1 2.9Å; E29-H148 IonicContact OE1-NE2 3.41Å; Y80-H148 PolarHBondContact OH-NE2 3.23Å; Y80-H148 VanDerWaalsContact OH-NE2 3.12Å; R146-H148 PolarHBondContact O-N 2.88Å; R146-H148 VanDerWaalsContact O-N 3.15Å; H148-K150 VanDerWaalsContact C-N 3.31Å; H148-M173 HydrophobicContact CB-CE 4.26Å; H148-L175 WeakPolarHBondContact CE1-CD2 3.47Å; H148-L175 WeakPolarHBondContact ND1-CD2 3.45Å; H148-L175 WeakPolarHBondContact NE2-CD2 3.27Å
149	M	97.8	Very high	97.6	Very high	18 Å²	18	64.8 Å²	64.8	9%	0.089	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-88.8	6.2	177.5	-69.6	-60.5	-75.7	0	0	113.5	C26 Y27 R146 S147 W156 R157 E158	C26-M149 HydrophobicContact CB-CE 3.63Å; Y27-M149 HydrophobicContact CD1-CG 4.3Å; Y27-M149 HydrophobicContact CE1-CB 3.93Å; Y27-M149 HydrophobicContact CE1-CG 3.56Å; Y27-M149 HydrophobicContact CE2-CE 4Å; Y27-M149 VanDerWaalsContact OH-CB 3.31Å; Y27-M149 WeakPolarHBondContact OH-CB 3.26Å; R146-M149 PolarHBondContact O-N 3.13Å; S147-M149 PolarHBondContact O-N 3.3Å; M149-W156 HydrophobicContact CB-CE3 4.15Å; M149-W156 HydrophobicContact CB-CZ3 4.21Å; M149-R157 HydrophobicContact CE-CB 4.28Å; M149-R157 WeakPolarHBondContact O-CB 3.41Å; M149-R157 WeakPolarHBondContact O-CG 3.36Å; M149-R157 PolarHBondContact O-N 3.4Å; M149-E158 HydrophobicContact CE-CB 3.75Å; M149-E158 HydrophobicContact CE-CG 4.06Å
150	K	97.4	Very high	97.6	Very high	89 Å²	89	65.6 Å²	65.6	39%	0.387	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-95.7	144.9	170	-65.4	-178.3	-178.7	175.2	0	111.3	S147 H148 N155 W156 R157	S147-K150 PolarHBondContact O-N 3.21Å; S147-K150 VanDerWaalsContact O-N 3.09Å; H148-K150 VanDerWaalsContact C-N 3.31Å; K150-N155 CarbonylContact C-O 3.51Å; K150-N155 VanDerWaalsContact CA-O 3.25Å; K150-N155 WeakPolarHBondContact CA-O 3.09Å; K150-W156 HydrophobicContact CD-CH2 4.41Å; K150-W156 HydrophobicContact CD-CZ3 4.46Å; K150-W156 HydrophobicContact CG-CD2 4.19Å; K150-W156 HydrophobicContact CG-CE3 3.8Å; K150-W156 HydrophobicContact CG-CH2 4.27Å; K150-W156 HydrophobicContact CG-CZ3 3.84Å; K150-R157 PolarHBondContact O-NE 2.89Å
151	D	95.7	Very high	97.6	Very high	55 Å²	55	58.3 Å²	58.3	29%	0.294	32%	0.322	S	S	.	.			trans	-80.3	177.9	168.8	74.2	12.7	0	0	0	111.4	S153 G154 N155	D151-S153 PolarHBondContact O-N 3.45Å; D151-S153 VanDerWaalsContact O-N 3.16Å; D151-S153 VanDerWaalsContact OD1-C 3.3Å; D151-S153 VanDerWaalsContact OD1-CA 3.26Å; D151-S153 WeakPolarHBondContact OD1-CA 3.44Å; D151-S153 WeakPolarHBondContact OD1-CB 3.26Å; D151-S153 PolarHBondContact OD1-N 2.9Å; D151-G154 PolarHBondContact O-N 2.81Å; D151-G154 PolarHBondContact OD1-N 2.87Å; D151-N155 PolarHBondContact N-O 3.5Å; D151-N155 PolarHBondContact OD1-N 3.01Å; D151-N155 WeakPolarHBondContact OD2-CB 3.19Å; D151-N155 PolarHBondContact OD2-ND2 3.01Å
152	S	95.8	Very high	97.6	Very high	131 Å²	131	63.3 Å²	63.3	92%	0.916	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.9	178.9	52.7	0	0	0	0	114.2
153	S	96.4	Very high	97.6	Very high	92 Å²	92	65.1 Å²	65.1	64%	0.643	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.7	175.8	-52.6	0	0	0	0	112.2	D151	D151-S153 PolarHBondContact O-N 3.45Å; D151-S153 VanDerWaalsContact O-N 3.16Å; D151-S153 VanDerWaalsContact OD1-C 3.3Å; D151-S153 VanDerWaalsContact OD1-CA 3.26Å; D151-S153 WeakPolarHBondContact OD1-CA 3.44Å; D151-S153 WeakPolarHBondContact OD1-CB 3.26Å; D151-S153 PolarHBondContact OD1-N 2.9Å
154	G	95.6	Very high	97.5	Very high	43 Å²	43	70.6 Å²	70.6	44%	0.443	40%	0.398	S	S	.	.	S	Bend	trans	83.6	6.6	-177.4	0	0	0	0	0	114.6	D151	D151-G154 PolarHBondContact O-N 2.81Å; D151-G154 PolarHBondContact OD1-N 2.87Å
155	N	97.1	Very high	97.5	Very high	96 Å²	96	73 Å²	73	51%	0.513	42%	0.415	S	S	.	.			trans	-79	149.5	175.2	-53.3	-55.1	0	0	0	110.5	K150 D151	K150-N155 CarbonylContact C-O 3.51Å; K150-N155 VanDerWaalsContact CA-O 3.25Å; K150-N155 WeakPolarHBondContact CA-O 3.09Å; D151-N155 PolarHBondContact N-O 3.5Å; D151-N155 PolarHBondContact OD1-N 3.01Å; D151-N155 WeakPolarHBondContact OD2-CB 3.19Å; D151-N155 PolarHBondContact OD2-ND2 3.01Å
156	W	97.8	Very high	97.6	Very high	105 Å²	105	70.6 Å²	70.6	40%	0.398	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-72.3	130	174.3	-65	108.7	0	0	0	111	R146 M149 K150 E158 P160	R146-W156 HydrophobicContact CB-CH2 3.89Å; R146-W156 HydrophobicContact CB-CZ3 3.77Å; R146-W156 WeakPolarHBondContact O-CZ3 3.49Å; M149-W156 HydrophobicContact CB-CE3 4.15Å; M149-W156 HydrophobicContact CB-CZ3 4.21Å; K150-W156 HydrophobicContact CD-CH2 4.41Å; K150-W156 HydrophobicContact CD-CZ3 4.46Å; K150-W156 HydrophobicContact CG-CD2 4.19Å; K150-W156 HydrophobicContact CG-CE3 3.8Å; K150-W156 HydrophobicContact CG-CH2 4.27Å; K150-W156 HydrophobicContact CG-CZ3 3.84Å; W156-E158 VanDerWaalsContact C-N 3.33Å; W156-P160 HydrophobicContact CD2-CB 4.33Å; W156-P160 HydrophobicContact CD2-CG 3.94Å; W156-P160 HydrophobicContact CE3-CB 4.26Å; W156-P160 HydrophobicContact CE3-CG 4.37Å; W156-P160 HydrophobicContact CG-CG 4.33Å; W156-P160 HydrophobicContact CH2-CB 4.18Å; W156-P160 HydrophobicContact CH2-CG 4.39Å; W156-P160 HydrophobicContact CZ2-CB 4.25Å; W156-P160 HydrophobicContact CZ2-CG 3.97Å; W156-P160 HydrophobicContact CZ3-CB 4.19Å
157	R	96.5	Very high	97.5	Very high	158 Å²	158	75.4 Å²	75.4	60%	0.596	43%	0.425	S	S	*	.	S	Bend	trans	-65.8	-40.6	171.5	-66.3	173.4	-175.7	-96.4	-0.5	110.9	M149 K150	M149-R157 HydrophobicContact CE-CB 4.28Å; M149-R157 WeakPolarHBondContact O-CB 3.41Å; M149-R157 WeakPolarHBondContact O-CG 3.36Å; M149-R157 PolarHBondContact O-N 3.4Å; K150-R157 PolarHBondContact O-NE 2.89Å
158	E	96.9	Very high	97.5	Very high	82 Å²	82	74.5 Å²	74.5	38%	0.383	42%	0.417	S	S	.	.	S	Bend	trans	-138.7	147.9	171.5	-68.7	-62	161.1	0	0	109.7	C26 Y27 M149 W156	C26-E158 HydrophobicContact CB-CB 4.34Å; C26-E158 HydrophobicContact CB-CG 3.96Å; Y27-E158 HydrophobicContact CE2-CB 4.2Å; Y27-E158 PolarHBondContact OH-O 3.12Å; M149-E158 HydrophobicContact CE-CB 3.75Å; M149-E158 HydrophobicContact CE-CG 4.06Å; W156-E158 VanDerWaalsContact C-N 3.33Å
159	P	98	Very high	97.6	Very high	97 Å²	97	76.1 Å²	76.1	63%	0.63	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-53.9	125.6	-179.7	-24.6	33.9	0	0	0	111.7	Y27	Y27-P159 VanDerWaalsContact CE2-O 3.27Å; Y27-P159 WeakPolarHBondContact CE2-O 3.19Å
160	P	98.3	Very high	97.6	Very high	42 Å²	42	82.7 Å²	82.7	27%	0.273	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-71.1	157.4	-177.6	31	-37	0	0	0	111.6	Y27 W156	Y27-P160 WeakPolarHBondContact OH-CA 3.41Å; W156-P160 HydrophobicContact CD2-CB 4.33Å; W156-P160 HydrophobicContact CD2-CG 3.94Å; W156-P160 HydrophobicContact CE3-CB 4.26Å; W156-P160 HydrophobicContact CE3-CG 4.37Å; W156-P160 HydrophobicContact CG-CG 4.33Å; W156-P160 HydrophobicContact CH2-CB 4.18Å; W156-P160 HydrophobicContact CH2-CG 4.39Å; W156-P160 HydrophobicContact CZ2-CB 4.25Å; W156-P160 HydrophobicContact CZ2-CG 3.97Å; W156-P160 HydrophobicContact CZ3-CB 4.19Å
161	P	98.3	Very high	97.6	Very high	4 Å²	4	80 Å²	80	3%	0.026	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-55.8	145.3	172.1	-20.4	28.4	0	0	0	111.9	Y27 R146 Y163	Y27-P161 HydrophobicContact CD1-CG 4.1Å; Y27-P161 HydrophobicContact CD2-CG 4.31Å; Y27-P161 HydrophobicContact CG-CG 3.9Å; R146-P161 PolarHBondContact NH1-O 3.41Å; R146-P161 VanDerWaalsContact NH1-O 3.08Å; P161-Y163 HydrophobicContact CB-CD1 3.93Å; P161-Y163 HydrophobicContact CB-CD2 4.45Å; P161-Y163 HydrophobicContact CB-CE1 3.39Å; P161-Y163 HydrophobicContact CB-CE2 3.99Å; P161-Y163 HydrophobicContact CB-CG 4.42Å; P161-Y163 VanDerWaalsContact CB-CZ 3.41Å; P161-Y163 HydrophobicContact CG-CE1 4.45Å; P161-Y163 PolarHBondContact O-N 2.97Å
162	P	98.2	Very high	97.7	Very high	130 Å²	130	83.9 Å²	83.9	84%	0.844	49%	0.49	S	S	*	.	S	Bend	trans	-76.6	-6.3	-171.5	31.5	-37	0	0	0	114.1
163	Y	98.5	Very high	97.9	Very high	39 Å²	39	80 Å²	80	15%	0.153	46%	0.458	C	S	.	.	S	Bend	trans	-93.9	158.9	176.8	49.9	-92.5	0	0	0	111.2	V22 E30 K34 R146 P161 I166	V22-Y163 HydrophobicContact CG1-CE1 3.74Å; E30-Y163 WeakPolarHBondContact CB-OH 3.19Å; E30-Y163 WeakPolarHBondContact OE2-CE2 3.49Å; E30-Y163 PolarHBondContact OE2-OH 2.9Å; K34-Y163 HydrophobicContact CG-CE1 4.5Å; R146-Y163 PolarHBondContact NH1-O 2.58Å; R146-Y163 PolarHBondContact NH2-O 3.39Å; P161-Y163 HydrophobicContact CB-CD1 3.93Å; P161-Y163 HydrophobicContact CB-CD2 4.45Å; P161-Y163 HydrophobicContact CB-CE1 3.39Å; P161-Y163 HydrophobicContact CB-CE2 3.99Å; P161-Y163 HydrophobicContact CB-CG 4.42Å; P161-Y163 VanDerWaalsContact CB-CZ 3.41Å; P161-Y163 HydrophobicContact CG-CE1 4.45Å; P161-Y163 PolarHBondContact O-N 2.97Å; Y163-I166 HydrophobicContact CE2-CD1 4.45Å
164	P	98.6	Very high	98	Very high	114 Å²	114	76.2 Å²	76.2	74%	0.74	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-53.1	153.4	174.8	-26.2	35.4	0	0	0	112.6	R146	R146-P164 PolarHBondContact NH2-O 3.49Å
165	C	98.8	Very high	98.1	Very high	51 Å²	51	74.2 Å²	74.2	35%	0.345	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-55.2	144.9	174.4	-66	0	0	0	0	111.2	S144 E167	S144-C165 WeakPolarHBondContact O-CB 3.42Å; C165-E167 PolarHBondContact O-N 2.82Å
166	I	98.8	Very high	98.2	Very high	14 Å²	14	74.2 Å²	74.2	7%	0.072	41%	0.41	C	S	.	.	B	Isolated β-bridge	trans	-78.5	118.5	173.9	-61.9	160.4	0	0	0	107.3	E30 W33 F142 A143 S144 Y163	E30-I166 HydrophobicContact CB-CD1 4.11Å; E30-I166 HydrophobicContact CG-CD1 3.97Å; W33-I166 HydrophobicContact CB-CD1 3.99Å; W33-I166 HydrophobicContact CD2-CD1 3.55Å; W33-I166 HydrophobicContact CD2-CG1 4.23Å; W33-I166 HydrophobicContact CD2-CG2 4.35Å; W33-I166 HydrophobicContact CE3-CD1 3.72Å; W33-I166 HydrophobicContact CE3-CG1 4.3Å; W33-I166 HydrophobicContact CG-CD1 3.68Å; W33-I166 HydrophobicContact CZ2-CG2 4.02Å; W33-I166 HydrophobicContact CZ3-CD1 4.42Å; F142-I166 HydrophobicContact CD1-CB 4.43Å; F142-I166 HydrophobicContact CD1-CD1 4.44Å; F142-I166 HydrophobicContact CD1-CG2 4.01Å; F142-I166 HydrophobicContact CE1-CB 4.49Å; F142-I166 HydrophobicContact CE1-CD1 4.25Å; A143-I166 CarbonylContact C-O 3.59Å; A143-I166 VanDerWaalsContact CA-O 3.26Å; A143-I166 WeakPolarHBondContact CA-O 3.31Å; S144-I166 PolarHBondContact N-O 2.83Å; Y163-I166 HydrophobicContact CE2-CD1 4.45Å
167	E	98.3	Very high	98.3	Very high	115 Å²	115	72.2 Å²	72.2	54%	0.537	41%	0.407	S	S	.	.			trans	-133.6	158.4	178.1	61.4	179.4	-168.4	0	0	110.9	C165 K172	C165-E167 PolarHBondContact O-N 2.82Å; E167-K172 HydrophobicContact CB-CG 4.43Å; E167-K172 WeakPolarHBondContact OE2-CE 3.41Å
168	T	98.1	Very high	98.4	Very high	36 Å²	36	64.7 Å²	64.7	22%	0.221	38%	0.379	C	S	.	.			trans	-118.3	172.5	174.5	72.8	0	0	0	0	109.9	K140 F142 A143 D170 S171	K140-T168 WeakPolarHBondContact O-CG2 3.45Å; F142-T168 WeakPolarHBondContact O-CG2 3.16Å; A143-T168 HydrophobicContact CB-CG2 4.44Å; T168-D170 PolarHBondContact O-N 2.76Å; T168-D170 PolarHBondContact OG1-N 2.93Å; T168-S171 PolarHBondContact N-O 3.06Å; T168-S171 PolarHBondContact OG1-N 2.83Å; T168-S171 PolarHBondContact OG1-O 2.71Å
169	G	97.9	Very high	98.5	Very high	88 Å²	88	61.1 Å²	61.1	91%	0.907	36%	0.362	S	S	*	.	S	Bend	trans	-61.9	-24.2	171.4	0	0	0	0	0	113.3
170	D	97.8	Very high	98.5	Very high	156 Å²	156	58.1 Å²	58.1	83%	0.834	34%	0.343	S	S	*	.	S	Bend	trans	-100.3	-25	-172.3	-60	-35.8	0	0	0	113.1	T168	T168-D170 PolarHBondContact O-N 2.76Å; T168-D170 PolarHBondContact OG1-N 2.93Å
171	S	98.4	Very high	98.5	Very high	32 Å²	32	56.7 Å²	56.7	22%	0.224	33%	0.333	C	S	.	.			trans	-152.7	149.8	-178.2	-173.6	0	0	0	0	113.1	A143 T168 M173	A143-S171 WeakPolarHBondContact CB-O 3.36Å; T168-S171 PolarHBondContact N-O 3.06Å; T168-S171 PolarHBondContact OG1-N 2.83Å; T168-S171 PolarHBondContact OG1-O 2.71Å; S171-M173 PolarHBondContact OG-N 3.11Å; S171-M173 VanDerWaalsContact OG-N 3.09Å; S171-M173 PolarHBondContact OG-O 3.31Å
172	K	98.6	Very high	98.5	Very high	136 Å²	136	60 Å²	60	59%	0.591	35%	0.351	S	S	*	.	S	Bend	trans	-102.8	-17.7	168.3	-64.1	-171.2	172.4	-171	0	113.1	S144 D145 E167	S144-K172 CarbonylContact C-O 3.55Å; S144-K172 VanDerWaalsContact C-O 3.31Å; D145-K172 PolarHBondContact N-O 3.01Å; E167-K172 HydrophobicContact CB-CG 4.43Å; E167-K172 WeakPolarHBondContact OE2-CE 3.41Å
173	M	98.7	Very high	98.5	Very high	51 Å²	51	58.2 Å²	58.2	25%	0.251	34%	0.339	S	S	.	.			trans	-157.7	109.3	-177.8	-178.8	53.9	170.8	0	0	109.5	A143 D145 H148 S171 L175	A143-M173 WeakPolarHBondContact O-CA 3.28Å; D145-M173 HydrophobicContact CB-CB 4.3Å; H148-M173 HydrophobicContact CB-CE 4.26Å; S171-M173 PolarHBondContact OG-N 3.11Å; S171-M173 VanDerWaalsContact OG-N 3.09Å; S171-M173 PolarHBondContact OG-O 3.31Å; M173-L175 HydrophobicContact CE-CB 3.74Å; M173-L175 HydrophobicContact CE-CD2 4.14Å; M173-L175 HydrophobicContact SD-CB 3.85Å
174	N	98.8	Very high	98.5	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.064	37%	0.37	C	S	.	.			trans	-137.9	15.6	173.8	60.5	12.4	0	0	0	112.3	N141 A143 N176 D177 F178	N141-N174 PolarHBondContact O-ND2 3.06Å; A143-N174 PolarHBondContact N-OD1 3.08Å; A143-N174 PolarHBondContact O-N 2.74Å; A143-N174 PolarHBondContact O-OD1 3.37Å; N174-N176 PolarHBondContact O-N 3.17Å; N174-N176 VanDerWaalsContact O-N 3.07Å; N174-D177 WeakPolarHBondContact O-CB 3.42Å; N174-D177 PolarHBondContact O-N 2.77Å; N174-F178 WeakPolarHBondContact O-CD2 3.4Å; N174-F178 WeakPolarHBondContact OD1-CE2 3.2Å
175	L	98.8	Very high	98.5	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	35%	0.347	C	S	.	.	H	α-helix	trans	-49.6	-37.5	179.4	174.5	61.6	0	0	0	113.3	E29 F54 Y80 F142 A143 H148 M173 D177 F178 I179	E29-L175 HydrophobicContact CB-CD1 4.21Å; E29-L175 HydrophobicContact CG-CD1 3.99Å; F54-L175 HydrophobicContact CE1-CD1 3.81Å; F54-L175 HydrophobicContact CZ-CD1 4.42Å; Y80-L175 HydrophobicContact CE2-CD1 4.25Å; F142-L175 HydrophobicContact CE2-CB 4.49Å; F142-L175 HydrophobicContact CE2-CD1 3.83Å; F142-L175 HydrophobicContact CZ-CD1 4.28Å; A143-L175 PolarHBondContact O-N 2.73Å; H148-L175 WeakPolarHBondContact CE1-CD2 3.47Å; H148-L175 WeakPolarHBondContact ND1-CD2 3.45Å; H148-L175 WeakPolarHBondContact NE2-CD2 3.27Å; M173-L175 HydrophobicContact CE-CB 3.74Å; M173-L175 HydrophobicContact CE-CD2 4.14Å; M173-L175 HydrophobicContact SD-CB 3.85Å; L175-D177 PolarHBondContact O-N 3.12Å; L175-F178 PolarHBondContact O-N 3.47Å; L175-I179 HydrophobicContact CD1-CD1 3.97Å; L175-I179 HydrophobicContact CD1-CG1 4.02Å; L175-I179 HydrophobicContact CD2-CD1 4.09Å; L175-I179 HydrophobicContact CG-CD1 3.64Å; L175-I179 HydrophobicContact CG-CG1 4.15Å; L175-I179 WeakPolarHBondContact O-CG1 3.31Å; L175-I179 PolarHBondContact O-N 3.28Å
176	N	98.8	Very high	98.4	Very high	95 Å²	95	60.7 Å²	60.7	51%	0.508	35%	0.351	S	S	.	.	H	α-helix	trans	-59.7	-30.6	178.1	-76.9	-37.8	0	0	0	113.2	N174 F178 I179 S180	N174-N176 PolarHBondContact O-N 3.17Å; N174-N176 VanDerWaalsContact O-N 3.07Å; N176-F178 VanDerWaalsContact C-N 3.29Å; N176-F178 PolarHBondContact O-N 2.98Å; N176-I179 PolarHBondContact O-N 3.09Å; N176-S180 WeakPolarHBondContact O-CB 3.31Å; N176-S180 PolarHBondContact O-N 2.68Å
177	D	98.8	Very high	98.4	Very high	64 Å²	64	63.7 Å²	63.7	34%	0.342	36%	0.361	S	S	.	.	H	α-helix	trans	-72.9	-26.9	179	-57.1	-20	0	0	0	111.3	R131 N174 L175 V185 W187	R131-D177 PolarHBondContact NE-O 2.95Å; N174-D177 WeakPolarHBondContact O-CB 3.42Å; N174-D177 PolarHBondContact O-N 2.77Å; L175-D177 PolarHBondContact O-N 3.12Å; D177-V185 HydrophobicContact CB-CG1 4Å; D177-W187 HydrophobicContact CB-CZ3 4.29Å
178	F	98.8	Very high	98.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-81.6	-38.5	173.3	-67.5	-92.7	0	0	0	112.2	F54 R131 I133 Y138 N141 F142 N174 L175 N176 S180 W187	F54-F178 HydrophobicContact CD1-CB 3.84Å; F54-F178 HydrophobicContact CD2-CB 4.15Å; F54-F178 HydrophobicContact CD2-CD1 4.43Å; F54-F178 HydrophobicContact CE1-CB 3.58Å; F54-F178 HydrophobicContact CE2-CB 3.92Å; F54-F178 AromaticContact CE2-CD1 3.96Å; F54-F178 HydrophobicContact CE2-CD1 3.96Å; F54-F178 HydrophobicContact CE2-CG 4.25Å; F54-F178 HydrophobicContact CG-CB 4.13Å; F54-F178 HydrophobicContact CZ-CB 3.62Å; F54-F178 HydrophobicContact CZ-CD1 4.27Å; F54-F178 HydrophobicContact CZ-CG 4.12Å; R131-F178 VanDerWaalsContact CD-O 3.29Å; R131-F178 WeakPolarHBondContact CD-O 3.41Å; R131-F178 PolarHBondContact NE-O 3.49Å; I133-F178 HydrophobicContact CD1-CD1 4.04Å; I133-F178 HydrophobicContact CG1-CD1 4.2Å; I133-F178 HydrophobicContact CG1-CE1 4.32Å; Y138-F178 HydrophobicContact CD2-CD1 4.09Å; Y138-F178 AromaticContact CD2-CE1 3.68Å; Y138-F178 HydrophobicContact CD2-CE1 3.68Å; Y138-F178 HydrophobicContact CD2-CZ 4.36Å; Y138-F178 HydrophobicContact CE2-CD1 4.05Å; Y138-F178 AromaticContact CE2-CE1 4Å; Y138-F178 HydrophobicContact CE2-CE1 4Å; N141-F178 HydrophobicContact CB-CZ 4.46Å; F142-F178 HydrophobicContact CB-CE2 4.3Å; F142-F178 HydrophobicContact CB-CZ 4.02Å; F142-F178 AromaticContact CD2-CD2 3.83Å; F142-F178 HydrophobicContact CD2-CD2 3.83Å; F142-F178 AromaticContact CD2-CE2 3.81Å; F142-F178 HydrophobicContact CD2-CE2 3.81Å; F142-F178 HydrophobicContact CD2-CG 4.22Å; F142-F178 HydrophobicContact CD2-CZ 4.16Å; F142-F178 HydrophobicContact CE2-CD2 4.39Å; N174-F178 WeakPolarHBondContact O-CD2 3.4Å; N174-F178 WeakPolarHBondContact OD1-CE2 3.2Å; L175-F178 PolarHBondContact O-N 3.47Å; N176-F178 VanDerWaalsContact C-N 3.29Å; N176-F178 PolarHBondContact O-N 2.98Å; F178-S180 VanDerWaalsContact C-N 3.3Å; F178-W187 HydrophobicContact CD2-CE3 4.38Å; F178-W187 HydrophobicContact CD2-CZ3 4.28Å; F178-W187 AromaticContact CE1-CE3 3.9Å; F178-W187 HydrophobicContact CE1-CE3 3.9Å; F178-W187 AromaticContact CE2-CE3 3.6Å; F178-W187 HydrophobicContact CE2-CE3 3.6Å; F178-W187 HydrophobicContact CE2-CH2 4.5Å; F178-W187 AromaticContact CE2-CZ3 3.45Å; F178-W187 HydrophobicContact CE2-CZ3 3.45Å; F178-W187 VanDerWaalsContact CE2-CZ3 3.45Å; F178-W187 HydrophobicContact CZ-CD2 4.16Å; F178-W187 AromaticContact CZ-CE3 3.32Å; F178-W187 HydrophobicContact CZ-CE3 3.32Å; F178-W187 AromaticContact CZ-CZ3 3.63Å; F178-W187 HydrophobicContact CZ-CZ3 3.63Å
179	I	98.8	Very high	98.5	Very high	7 Å²	7	60.8 Å²	60.8	4%	0.036	37%	0.365	C	S	.	.	H	α-helix	trans	-68.1	-33.4	175.1	-64.6	171.2	0	0	0	111.1	F54 K60 Y80 L175 N176 M181	F54-I179 HydrophobicContact CD1-CG1 4.34Å; K60-I179 HydrophobicContact CD-CG2 4.38Å; Y80-I179 HydrophobicContact CD1-CD1 3.44Å; Y80-I179 VanDerWaalsContact CD1-CD1 3.44Å; Y80-I179 HydrophobicContact CD1-CG1 3.91Å; Y80-I179 HydrophobicContact CD2-CD1 4.17Å; Y80-I179 HydrophobicContact CD2-CG1 3.89Å; Y80-I179 HydrophobicContact CE1-CD1 3.5Å; Y80-I179 HydrophobicContact CE1-CG1 4.29Å; Y80-I179 HydrophobicContact CE2-CD1 4.21Å; Y80-I179 HydrophobicContact CE2-CG1 4.24Å; Y80-I179 HydrophobicContact CG-CD1 3.79Å; Y80-I179 HydrophobicContact CG-CG1 3.7Å; Y80-I179 HydrophobicContact CG-CG2 4.43Å; L175-I179 HydrophobicContact CD1-CD1 3.97Å; L175-I179 HydrophobicContact CD1-CG1 4.02Å; L175-I179 HydrophobicContact CD2-CD1 4.09Å; L175-I179 HydrophobicContact CG-CD1 3.64Å; L175-I179 HydrophobicContact CG-CG1 4.15Å; L175-I179 WeakPolarHBondContact O-CG1 3.31Å; L175-I179 PolarHBondContact O-N 3.28Å; N176-I179 PolarHBondContact O-N 3.09Å; I179-M181 VanDerWaalsContact O-CE 3.26Å; I179-M181 WeakPolarHBondContact O-CE 3.36Å; I179-M181 PolarHBondContact O-N 3.34Å
180	S	98.7	Very high	98.5	Very high	34 Å²	34	58 Å²	58	24%	0.238	33%	0.331	C	S	.	.			trans	-55.5	134.1	178.6	-178.1	0	0	0	0	110.9	R131 N176 F178 D182	R131-S180 VanDerWaalsContact CZ-O 3.25Å; R131-S180 PolarHBondContact NE-O 3.05Å; R131-S180 PolarHBondContact NH2-O 2.79Å; N176-S180 WeakPolarHBondContact O-CB 3.31Å; N176-S180 PolarHBondContact O-N 2.68Å; F178-S180 VanDerWaalsContact C-N 3.3Å; S180-D182 WeakPolarHBondContact OG-CB 3.49Å; S180-D182 PolarHBondContact OG-N 3.32Å
181	M	98.8	Very high	98.6	Very high	11 Å²	11	52.3 Å²	52.3	5%	0.054	30%	0.298	C	S	.	.			trans	-104.8	18.6	173.7	-61.6	-67.5	138.8	0	0	111.6	F54 K129 R131 I179 V190	F54-M181 HydrophobicContact CB-CE 4.05Å; K129-M181 HydrophobicContact CB-CB 3.93Å; K129-M181 HydrophobicContact CB-CG 3.72Å; K129-M181 HydrophobicContact CB-SD 3.68Å; K129-M181 HydrophobicContact CD-CB 3.72Å; K129-M181 HydrophobicContact CD-CG 4.4Å; K129-M181 HydrophobicContact CG-CB 4.48Å; R131-M181 HydrophobicContact CB-CE 3.73Å; R131-M181 HydrophobicContact CB-SD 4.05Å; I179-M181 VanDerWaalsContact O-CE 3.26Å; I179-M181 WeakPolarHBondContact O-CE 3.36Å; I179-M181 PolarHBondContact O-N 3.34Å; M181-V190 HydrophobicContact CB-CG1 4.15Å; M181-V190 HydrophobicContact SD-CG1 4.04Å
182	D	98.6	Very high	98.6	Very high	75 Å²	75	53.6 Å²	53.6	40%	0.401	31%	0.305	S	S	.	.			trans	-79.7	119.5	166.5	-172.8	-20	0	0	0	109.3	R131 S180 E184 V185	R131-D182 PolarHBondContact NH2-O 2.96Å; S180-D182 WeakPolarHBondContact OG-CB 3.49Å; S180-D182 PolarHBondContact OG-N 3.32Å; D182-E184 PolarHBondContact O-N 3.09Å; D182-E184 WeakPolarHBondContact OD1-CB 3.41Å; D182-E184 PolarHBondContact OD1-N 3.24Å; D182-V185 HydrophobicContact CB-CB 4.3Å; D182-V185 HydrophobicContact CB-CG2 3.98Å; D182-V185 PolarHBondContact O-N 3.15Å; D182-V185 VanDerWaalsContact O-N 3.16Å
183	P	97.9	Very high	98.6	Very high	91 Å²	91	47.9 Å²	47.9	59%	0.591	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.4	-179.3	28.1	-36.2	0	0	0	113.9	V185	P183-V185 VanDerWaalsContact C-N 3.28Å
184	E	98.3	Very high	98.5	Very high	171 Å²	171	49.6 Å²	49.6	80%	0.799	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.8	178.2	-58.5	-59.8	129.9	0	0	112.9	D182	D182-E184 PolarHBondContact O-N 3.09Å; D182-E184 WeakPolarHBondContact OD1-CB 3.41Å; D182-E184 PolarHBondContact OD1-N 3.24Å
185	V	97.8	Very high	98.5	Very high	45 Å²	45	53.8 Å²	53.8	27%	0.273	32%	0.317	S	S	.	.	S	Bend	trans	-108.2	145	-178.8	178.4	0	0	0	0	110.7	R131 D177 D182 P183	R131-V185 PolarHBondContact NH1-O 3Å; R131-V185 PolarHBondContact NH2-O 2.58Å; D177-V185 HydrophobicContact CB-CG1 4Å; D182-V185 HydrophobicContact CB-CB 4.3Å; D182-V185 HydrophobicContact CB-CG2 3.98Å; D182-V185 PolarHBondContact O-N 3.15Å; D182-V185 VanDerWaalsContact O-N 3.16Å; P183-V185 VanDerWaalsContact C-N 3.28Å
186	G	97.9	Very high	98.5	Very high	40 Å²	40	53.7 Å²	53.7	41%	0.412	32%	0.316	S	S	.	.	S	Bend	trans	72.5	-149.7	166.7	0	0	0	0	0	114.7
187	W	98.6	Very high	98.4	Very high	77 Å²	77	51.3 Å²	51.3	29%	0.292	31%	0.305	S	S	.	.	S	Bend	trans	-118.7	162.3	-175.4	-61.6	-95.3	0	0	0	112	R131 I133 N141 D177 F178	R131-W187 WeakPolarHBondContact CD-O 3.27Å; R131-W187 PolarHBondContact NH1-O 3.32Å; I133-W187 HydrophobicContact CG2-CB 4.14Å; N141-W187 HydrophobicContact CB-CD2 3.96Å; N141-W187 HydrophobicContact CB-CE3 4.43Å; N141-W187 HydrophobicContact CB-CG 4.45Å; N141-W187 HydrophobicContact CB-CH2 4.27Å; N141-W187 HydrophobicContact CB-CZ2 3.75Å; N141-W187 PolarHBondContact OD1-NE1 3.06Å; D177-W187 HydrophobicContact CB-CZ3 4.29Å; F178-W187 HydrophobicContact CD2-CE3 4.38Å; F178-W187 HydrophobicContact CD2-CZ3 4.28Å; F178-W187 AromaticContact CE1-CE3 3.9Å; F178-W187 HydrophobicContact CE1-CE3 3.9Å; F178-W187 AromaticContact CE2-CE3 3.6Å; F178-W187 HydrophobicContact CE2-CE3 3.6Å; F178-W187 HydrophobicContact CE2-CH2 4.5Å; F178-W187 AromaticContact CE2-CZ3 3.45Å; F178-W187 HydrophobicContact CE2-CZ3 3.45Å; F178-W187 VanDerWaalsContact CE2-CZ3 3.45Å; F178-W187 HydrophobicContact CZ-CD2 4.16Å; F178-W187 AromaticContact CZ-CE3 3.32Å; F178-W187 HydrophobicContact CZ-CE3 3.32Å; F178-W187 AromaticContact CZ-CZ3 3.63Å; F178-W187 HydrophobicContact CZ-CZ3 3.63Å
188	G	98.5	Very high	98.3	Very high	52 Å²	52	56.1 Å²	56.1	54%	0.536	33%	0.325	S	S	.	.	S	Bend	trans	77.1	-157.5	179.3	0	0	0	0	0	112.4	V132	V132-G188 VanDerWaalsContact O-CA 3.24Å; V132-G188 WeakPolarHBondContact O-CA 3.38Å
189	A	98.8	Very high	98.2	Very high	38 Å²	38	63 Å²	63	31%	0.314	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.4	178.9	0	0	0	0	0	110.5	R131 V132 Y191	R131-A189 CarbonylContact C-O 3.47Å; R131-A189 WeakPolarHBondContact CA-O 3.4Å; V132-A189 PolarHBondContact N-O 2.82Å; V132-A189 PolarHBondContact O-N 3.39Å; V132-A189 VanDerWaalsContact O-N 3.1Å; A189-Y191 HydrophobicContact CB-CE2 3.63Å; A189-Y191 WeakPolarHBondContact CB-OH 3.29Å
190	V	98.9	Very high	98.1	Very high	31 Å²	31	63.3 Å²	63.3	19%	0.188	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	136.2	177.2	-177.1	0	0	0	0	109.6	K129 F130 R131 M181	K129-V190 HydrophobicContact CB-CG1 4.28Å; K129-V190 HydrophobicContact CD-CG1 4.43Å; F130-V190 CarbonylContact O-C 3.53Å; F130-V190 WeakPolarHBondContact O-CA 3.45Å; R131-V190 HydrophobicContact CB-CG2 4.24Å; R131-V190 HydrophobicContact CG-CG2 4.39Å; M181-V190 HydrophobicContact CB-CG1 4.15Å; M181-V190 HydrophobicContact SD-CG1 4.04Å
191	Y	98.8	Very high	97.9	Very high	35 Å²	35	62.4 Å²	62.4	14%	0.137	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.8	-179.9	-58.3	-84.7	0	0	0	110.7	K129 F130 V132 A189 E195 R199	K129-Y191 CarbonylContact C-O 3.53Å; K129-Y191 WeakPolarHBondContact CA-O 3.38Å; F130-Y191 PolarHBondContact N-O 2.88Å; F130-Y191 PolarHBondContact O-N 3.39Å; V132-Y191 HydrophobicContact CB-CD2 4.26Å; V132-Y191 HydrophobicContact CB-CE2 3.95Å; V132-Y191 HydrophobicContact CG2-CD2 3.72Å; V132-Y191 HydrophobicContact CG2-CE2 3.87Å; A189-Y191 HydrophobicContact CB-CE2 3.63Å; A189-Y191 WeakPolarHBondContact CB-OH 3.29Å; Y191-E195 HydrophobicContact CD1-CB 3.9Å; Y191-E195 HydrophobicContact CG-CB 4.48Å; Y191-R199 VanDerWaalsContact OH-CZ 3.24Å; Y191-R199 PolarHBondContact OH-NE 2.81Å; Y191-R199 PolarHBondContact OH-NH1 3.21Å; Y191-R199 VanDerWaalsContact OH-NH1 3.11Å
192	T	98.7	Very high	97.3	Very high	59 Å²	59	64.2 Å²	64.2	36%	0.362	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	166.3	157.1	61.7	0	0	0	0	110.5	S194 E195 F196	T192-S194 VanDerWaalsContact C-N 3.29Å; T192-S194 PolarHBondContact O-N 2.87Å; T192-E195 WeakPolarHBondContact CB-OE2 3.46Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.18Å; T192-E195 PolarHBondContact N-OE2 2.87Å; T192-E195 PolarHBondContact O-N 2.92Å; T192-E195 VanDerWaalsContact OG1-CD 3.25Å; T192-E195 VanDerWaalsContact OG1-CG 3.29Å; T192-E195 WeakPolarHBondContact OG1-CG 3.49Å; T192-E195 PolarHBondContact OG1-N 2.92Å; T192-E195 PolarHBondContact OG1-OE2 2.9Å; T192-F196 VanDerWaalsContact O-CB 3.31Å; T192-F196 WeakPolarHBondContact O-CB 3.25Å; T192-F196 PolarHBondContact O-N 2.96Å
193	L	98.4	Very high	96	Very high	16 Å²	16	69.7 Å²	69.7	8%	0.084	38%	0.383	C	S	.	.	H	α-helix	trans	-53.6	-46.8	172.9	-178.8	68.4	0	0	0	112.1	F116 K117 D119 F130 E195 F196 T197	F116-L193 HydrophobicContact CB-CD1 4.24Å; F116-L193 HydrophobicContact CD2-CD1 4.18Å; K117-L193 WeakPolarHBondContact O-CD2 3.32Å; D119-L193 HydrophobicContact CB-CD2 3.98Å; F130-L193 HydrophobicContact CE2-CB 3.88Å; F130-L193 HydrophobicContact CE2-CD1 3.72Å; F130-L193 HydrophobicContact CE2-CG 4.43Å; F130-L193 HydrophobicContact CZ-CD1 3.67Å; L193-E195 PolarHBondContact O-N 2.89Å; L193-F196 PolarHBondContact O-N 2.87Å; L193-T197 HydrophobicContact CD1-CG2 4.14Å; L193-T197 HydrophobicContact CG-CG2 4.36Å; L193-T197 VanDerWaalsContact O-CG2 3.31Å; L193-T197 WeakPolarHBondContact O-CG2 3.4Å; L193-T197 PolarHBondContact O-N 3.27Å; L193-T197 PolarHBondContact O-OG1 3.38Å
194	S	97.9	Very high	93.9	Very high	87 Å²	87	72.6 Å²	72.6	61%	0.608	39%	0.393	S	S	*	.	H	α-helix	trans	-62.4	-42.9	-178.3	-176.1	0	0	0	0	112.5	T192 T197 H198	T192-S194 VanDerWaalsContact C-N 3.29Å; T192-S194 PolarHBondContact O-N 2.87Å; S194-T197 PolarHBondContact O-OG1 3.06Å; S194-H198 VanDerWaalsContact O-CB 3.26Å; S194-H198 WeakPolarHBondContact O-CB 3.45Å; S194-H198 PolarHBondContact O-N 3.45Å
195	E	98.4	Very high	91.2	Very high	100 Å²	100	71.6 Å²	71.6	47%	0.467	43%	0.428	S	S	.	.	H	α-helix	trans	-68.9	-37.9	177.3	-66	159.9	146.2	0	0	111.6	Y191 T192 L193 R199	Y191-E195 HydrophobicContact CD1-CB 3.9Å; Y191-E195 HydrophobicContact CG-CB 4.48Å; T192-E195 WeakPolarHBondContact CB-OE2 3.46Å; T192-E195 WeakPolarHBondContact CG2-OE2 3.18Å; T192-E195 PolarHBondContact N-OE2 2.87Å; T192-E195 PolarHBondContact O-N 2.92Å; T192-E195 VanDerWaalsContact OG1-CD 3.25Å; T192-E195 VanDerWaalsContact OG1-CG 3.29Å; T192-E195 WeakPolarHBondContact OG1-CG 3.49Å; T192-E195 PolarHBondContact OG1-N 2.92Å; T192-E195 PolarHBondContact OG1-OE2 2.9Å; L193-E195 PolarHBondContact O-N 2.89Å; E195-R199 WeakPolarHBondContact O-CB 3.27Å; E195-R199 PolarHBondContact O-N 2.95Å
196	F	98.4	Very high	90.9	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	44%	0.436	C	S	.	.	H	α-helix	trans	-63.4	-46.8	176.9	-177.7	-106.8	0	0	0	111.4	V53 L85 F108 F116 F130 V132 T192 L193 R199 F200	V53-F196 HydrophobicContact CG1-CE2 3.99Å; V53-F196 HydrophobicContact CG1-CZ 4.1Å; V53-F196 HydrophobicContact CG2-CE2 4.31Å; V53-F196 HydrophobicContact CG2-CZ 4.47Å; L85-F196 HydrophobicContact CD2-CE2 4.26Å; L85-F196 HydrophobicContact CD2-CZ 4.43Å; F108-F196 HydrophobicContact CE2-CD1 4.05Å; F108-F196 AromaticContact CE2-CE1 3.29Å; F108-F196 HydrophobicContact CE2-CE1 3.29Å; F108-F196 HydrophobicContact CE2-CE2 4.38Å; F108-F196 AromaticContact CE2-CZ 3.5Å; F108-F196 HydrophobicContact CE2-CZ 3.5Å; F108-F196 AromaticContact CZ-CD1 3.69Å; F108-F196 HydrophobicContact CZ-CD1 3.69Å; F108-F196 AromaticContact CZ-CE1 3.41Å; F108-F196 HydrophobicContact CZ-CE1 3.41Å; F108-F196 VanDerWaalsContact CZ-CE1 3.41Å; F108-F196 HydrophobicContact CZ-CG 4.5Å; F108-F196 HydrophobicContact CZ-CZ 4.02Å; F116-F196 HydrophobicContact CE2-CE1 4.15Å; F130-F196 HydrophobicContact CB-CB 4.35Å; F130-F196 HydrophobicContact CB-CD2 3.87Å; F130-F196 HydrophobicContact CB-CE2 4.37Å; F130-F196 HydrophobicContact CB-CG 4.11Å; F130-F196 HydrophobicContact CD1-CD1 4.03Å; F130-F196 HydrophobicContact CD1-CD2 4.37Å; F130-F196 HydrophobicContact CD1-CE1 4.1Å; F130-F196 HydrophobicContact CD1-CE2 4.45Å; F130-F196 HydrophobicContact CD1-CG 4.16Å; F130-F196 HydrophobicContact CD1-CZ 4.3Å; F130-F196 HydrophobicContact CD2-CB 3.95Å; F130-F196 HydrophobicContact CD2-CD1 4.42Å; F130-F196 HydrophobicContact CD2-CG 4.15Å; F130-F196 HydrophobicContact CE1-CD1 4.21Å; F130-F196 HydrophobicContact CE1-CE1 4.28Å; F130-F196 HydrophobicContact CG-CB 4.12Å; F130-F196 HydrophobicContact CG-CD1 4.14Å; F130-F196 HydrophobicContact CG-CD2 4.08Å; F130-F196 AromaticContact CG-CG 3.85Å; F130-F196 HydrophobicContact CG-CG 3.85Å; V132-F196 HydrophobicContact CG2-CD2 3.87Å; V132-F196 HydrophobicContact CG2-CE2 3.72Å; T192-F196 VanDerWaalsContact O-CB 3.31Å; T192-F196 WeakPolarHBondContact O-CB 3.25Å; T192-F196 PolarHBondContact O-N 2.96Å; L193-F196 PolarHBondContact O-N 2.87Å; F196-R199 PolarHBondContact O-N 2.87Å; F196-F200 AromaticContact CD2-CD2 3.57Å; F196-F200 HydrophobicContact CD2-CD2 3.57Å; F196-F200 AromaticContact CD2-CE2 3.75Å; F196-F200 HydrophobicContact CD2-CE2 3.75Å; F196-F200 AromaticContact CE2-CD2 3.62Å; F196-F200 HydrophobicContact CE2-CD2 3.62Å; F196-F200 AromaticContact CE2-CE2 3.85Å; F196-F200 HydrophobicContact CE2-CE2 3.85Å; F196-F200 HydrophobicContact CG-CD2 4.29Å; F196-F200 HydrophobicContact CZ-CD2 4.39Å; F196-F200 WeakPolarHBondContact O-CD2 3.36Å; F196-F200 PolarHBondContact O-N 3.39Å; F196-F200 VanDerWaalsContact O-N 3.11Å
197	T	97.6	Very high	90.5	Very high	45 Å²	45	74.6 Å²	74.6	28%	0.276	44%	0.438	S	S	.	.	H	α-helix	trans	-67.7	-41.9	178	56.9	0	0	0	0	112	V112 L193 S194 R199 G201	V112-T197 HydrophobicContact CB-CG2 4.41Å; V112-T197 HydrophobicContact CG1-CG2 3.44Å; V112-T197 VanDerWaalsContact CG1-CG2 3.44Å; V112-T197 HydrophobicContact CG2-CG2 4.12Å; L193-T197 HydrophobicContact CD1-CG2 4.14Å; L193-T197 HydrophobicContact CG-CG2 4.36Å; L193-T197 VanDerWaalsContact O-CG2 3.31Å; L193-T197 WeakPolarHBondContact O-CG2 3.4Å; L193-T197 PolarHBondContact O-N 3.27Å; L193-T197 PolarHBondContact O-OG1 3.38Å; S194-T197 PolarHBondContact O-OG1 3.06Å; T197-R199 VanDerWaalsContact C-N 3.26Å; T197-R199 PolarHBondContact O-N 2.83Å; T197-G201 WeakPolarHBondContact O-CA 3.26Å; T197-G201 PolarHBondContact O-N 2.99Å
198	H	96.8	Very high	90.1	Very high	164 Å²	164	74.5 Å²	74.5	76%	0.759	45%	0.446	S	S	*	.	H	α-helix	trans	-60.8	-37.1	175.7	-177.8	73.1	0	0	0	112.4	S194	S194-H198 VanDerWaalsContact O-CB 3.26Å; S194-H198 WeakPolarHBondContact O-CB 3.45Å; S194-H198 PolarHBondContact O-N 3.45Å
199	R	96.6	Very high	89.6	Confident	144 Å²	144	75.8 Å²	75.8	54%	0.543	44%	0.44	S	S	.	.	H	α-helix	trans	-76.1	-40.3	-176.4	-176.1	171.4	-178.1	114.9	3.7	113.4	Y191 E195 F196 T197	Y191-R199 VanDerWaalsContact OH-CZ 3.24Å; Y191-R199 PolarHBondContact OH-NE 2.81Å; Y191-R199 PolarHBondContact OH-NH1 3.21Å; Y191-R199 VanDerWaalsContact OH-NH1 3.11Å; E195-R199 WeakPolarHBondContact O-CB 3.27Å; E195-R199 PolarHBondContact O-N 2.95Å; F196-R199 PolarHBondContact O-N 2.87Å; T197-R199 VanDerWaalsContact C-N 3.26Å; T197-R199 PolarHBondContact O-N 2.83Å
200	F	96.6	Very high	89	Confident	14 Å²	14	78.2 Å²	78.2	6%	0.061	45%	0.448	C	S	.	.	H	α-helix	trans	-118	-10.4	-167.7	-59.4	-68.4	0	0	0	114.8	L85 V87 S93 F108 V132 F196	L85-F200 HydrophobicContact CD2-CB 4.32Å; L85-F200 HydrophobicContact CD2-CD1 3.71Å; L85-F200 HydrophobicContact CD2-CD2 3.94Å; L85-F200 HydrophobicContact CD2-CE1 3.88Å; L85-F200 HydrophobicContact CD2-CE2 4.12Å; L85-F200 HydrophobicContact CD2-CG 3.73Å; L85-F200 HydrophobicContact CD2-CZ 4.08Å; V87-F200 HydrophobicContact CG2-CD1 3.88Å; V87-F200 HydrophobicContact CG2-CE1 4.16Å; S93-F200 VanDerWaalsContact CB-O 3.27Å; S93-F200 WeakPolarHBondContact CB-O 3.41Å; S93-F200 PolarHBondContact OG-O 3.38Å; F108-F200 HydrophobicContact CD2-CB 4.16Å; F108-F200 HydrophobicContact CE1-CB 4.17Å; F108-F200 HydrophobicContact CE2-CB 3.57Å; F108-F200 HydrophobicContact CZ-CB 3.59Å; V132-F200 HydrophobicContact CG1-CE2 4.31Å; V132-F200 HydrophobicContact CG1-CZ 3.98Å; V132-F200 HydrophobicContact CG2-CE2 4.12Å; F196-F200 AromaticContact CD2-CD2 3.57Å; F196-F200 HydrophobicContact CD2-CD2 3.57Å; F196-F200 AromaticContact CD2-CE2 3.75Å; F196-F200 HydrophobicContact CD2-CE2 3.75Å; F196-F200 AromaticContact CE2-CD2 3.62Å; F196-F200 HydrophobicContact CE2-CD2 3.62Å; F196-F200 AromaticContact CE2-CE2 3.85Å; F196-F200 HydrophobicContact CE2-CE2 3.85Å; F196-F200 HydrophobicContact CG-CD2 4.29Å; F196-F200 HydrophobicContact CZ-CD2 4.39Å; F196-F200 WeakPolarHBondContact O-CD2 3.36Å; F196-F200 PolarHBondContact O-N 3.39Å; F196-F200 VanDerWaalsContact O-N 3.11Å
201	G	93.4	Very high	88.4	Confident	15 Å²	15	81.3 Å²	81.3	16%	0.155	47%	0.466	C	S	.	.	S	Bend	trans	-65.7	160.3	173.6	0	0	0	0	0	112.3	D109 T197 K203	D109-G201 WeakPolarHBondContact OD1-CA 3.49Å; T197-G201 WeakPolarHBondContact O-CA 3.26Å; T197-G201 PolarHBondContact O-N 2.99Å; G201-K203 PolarHBondContact O-N 3.3Å
202	S	86.6	Confident	87.6	Confident	50 Å²	50	84.6 Å²	84.6	35%	0.35	49%	0.489	S	S	.	.			trans	-59.5	126.3	178.3	-60	0	0	0	0	109.8	D109 N204	D109-S202 PolarHBondContact OD1-N 2.87Å; D109-S202 VanDerWaalsContact OD1-N 3.13Å; D109-S202 WeakPolarHBondContact OD2-CB 3.33Å; D109-S202 PolarHBondContact OD2-N 2.94Å; D109-S202 PolarHBondContact OD2-OG 3.01Å; S202-N204 VanDerWaalsContact C-N 3.28Å; S202-N204 PolarHBondContact O-N 2.82Å
203	K	70.9	Confident	86.8	Confident	190 Å²	190	86.6 Å²	86.6	83%	0.826	50%	0.499	S	S	*	.			trans	-73	90.5	168.9	-66.1	-174.1	-179.7	-177.9	0	107.3	G201 G205	G201-K203 PolarHBondContact O-N 3.3Å; K203-G205 PolarHBondContact O-N 3.16Å; K203-G205 VanDerWaalsContact O-N 3.11Å
204	N	54.5	Low	85.8	Confident	151 Å²	151	92.5 Å²	92.5	81%	0.807	53%	0.533	S	S	*	.			trans	-56.2	119.1	165.2	-70.9	-21.6	0	0	0	107.2	S202	S202-N204 VanDerWaalsContact C-N 3.28Å; S202-N204 PolarHBondContact O-N 2.82Å
205	G	41.7	Very low	84.7	Confident	150 Å²	150	93 Å²	93	100%	1.546	53%	0.527	S	S	*	.			trans	-67.4	0	173.4	0	0	0	0	0	112.2	K203	K203-G205 PolarHBondContact O-N 3.16Å; K203-G205 VanDerWaalsContact O-N 3.11Å

Retrieved 205 of 205 residues in 659.2 ms (Link to these results)

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