A0A096MFY4_POEFO Loading...

U2A'/phosphoprotein 32 family A C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A096MFY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 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	44	Very low	37.4	Very low	247 Å²	247	162.7 Å²	162.7	100%	1.217	82%	0.823	S	S	*	*				0	85.6	0	-140.5	177.6	-71.2	0	0	106.6
2	E	33	Very low	38	Very low	176 Å²	176	160 Å²	160	82%	0.822	82%	0.82	S	S	*	*			trans	-40	146.3	155.1	-77.5	169.9	169.3	0	0	111
3	L	35.3	Very low	38.1	Very low	147 Å²	147	158.2 Å²	158.2	77%	0.77	81%	0.814	S	S	*	*			cis	-145.8	147.9	15.7	-74.2	117	0	0	0	107.9
4	Q	31.3	Very low	38.6	Very low	169 Å²	169	160.4 Å²	160.4	79%	0.79	82%	0.819	S	S	*	*				45.5	131	82.5	-104.9	179.2	-19.3	0	0	113.3
5	T	34.9	Very low	39.2	Very low	108 Å²	108	156.7 Å²	156.7	66%	0.663	81%	0.807	S	S	*	*			cis	-170.8	142.5	18.7	-21.3	0	0	0	0	109
6	T	35.6	Very low	40.3	Very low	120 Å²	120	158.8 Å²	158.8	74%	0.736	82%	0.819	S	S	*	*			trans	23.9	149.1	139.2	55.9	0	0	0	0	125.3
7	A	37.8	Very low	41.4	Very low	79 Å²	79	151.6 Å²	151.6	65%	0.653	79%	0.792	S	S	*	*			trans	72.8	148	134.9	0	0	0	0	0	117.3
8	E	34.4	Very low	43.1	Very low	181 Å²	181	149.7 Å²	149.7	85%	0.846	78%	0.777	S	S	*	*			cis	-169.7	156.1	9.9	-113.9	155.5	-159.6	0	0	106.3	K10	E8-K10 PolarHBondContact O-N 3.28Å
9	H	47	Very low	45.7	Very low	195 Å²	195	145.1 Å²	145.1	90%	0.903	75%	0.751	S	S	*	*			trans	-52.2	122.6	164.1	-79	-107	0	0	0	110
10	K	38.1	Very low	48.2	Very low	190 Å²	190	144.7 Å²	144.7	83%	0.826	74%	0.74	S	S	*	*			trans	-115.4	88.1	160.6	-143.3	173.7	-172.5	178	0	108.9	E8 V12	E8-K10 PolarHBondContact O-N 3.28Å; K10-V12 PolarHBondContact O-N 3.5Å
11	Q	39.8	Very low	50.6	Low	178 Å²	178	139.2 Å²	139.2	83%	0.832	71%	0.712	S	S	*	*			trans	-41.4	107.1	146.9	-122.2	168.7	-4.4	0	0	106.6	N13	Q11-N13 PolarHBondContact O-N 2.74Å
12	V	44.8	Very low	53.1	Low	130 Å²	130	129.9 Å²	129.9	79%	0.788	67%	0.671	S	S	*	*			trans	-71.8	104.2	171.2	-178.3	0	0	0	0	104.8	K10 Q14	K10-V12 PolarHBondContact O-N 3.5Å; V12-Q14 PolarHBondContact O-N 2.89Å
13	N	38.7	Very low	56.3	Low	137 Å²	137	122.6 Å²	122.6	73%	0.733	64%	0.636	S	S	*	*			trans	-40.2	115.3	171.1	-76	-27.5	0	0	0	109.1	Q11 T15	Q11-N13 PolarHBondContact O-N 2.74Å; N13-T15 VanDerWaalsContact C-N 3.26Å; N13-T15 PolarHBondContact O-N 3.47Å
14	Q	46.2	Very low	59.3	Low	189 Å²	189	116.5 Å²	116.5	88%	0.883	61%	0.607	S	S	*	*			trans	-56.8	99.7	159.8	-80.3	174.9	-15.8	0	0	106.3	V12 L16	V12-Q14 PolarHBondContact O-N 2.89Å; Q14-L16 PolarHBondContact O-N 3.47Å; Q14-L16 VanDerWaalsContact O-N 3.09Å
15	T	46.6	Very low	62.5	Low	105 Å²	105	116 Å²	116	64%	0.644	60%	0.599	S	S	*	*			trans	-61	113.7	168	39	0	0	0	0	106.7	N13 G17	N13-T15 VanDerWaalsContact C-N 3.26Å; N13-T15 PolarHBondContact O-N 3.47Å; T15-G17 PolarHBondContact O-N 3.45Å
16	L	56.8	Low	65.5	Low	190 Å²	190	116 Å²	116	100%	0.995	59%	0.592	S	S	*	*			trans	-63.3	52.2	163.5	-83.9	144.7	0	0	0	110.1	Q14	Q14-L16 PolarHBondContact O-N 3.47Å; Q14-L16 VanDerWaalsContact O-N 3.09Å
17	G	58.9	Low	68.4	Low	36 Å²	36	112.3 Å²	112.3	37%	0.371	58%	0.578	S	S	.	*	S	Bend	trans	-115.6	149.2	-177.3	0	0	0	0	0	109.9	T15 H19	T15-G17 PolarHBondContact O-N 3.45Å; G17-H19 PolarHBondContact O-CE1 3.16Å; G17-H19 VanDerWaalsContact O-CE1 3.23Å; G17-H19 PolarHBondContact O-N 3.17Å; G17-H19 PolarHBondContact O-ND1 3.33Å
18	F	72.6	Confident	71.3	Confident	118 Å²	118	110 Å²	110	52%	0.518	56%	0.555	S	S	.	*			trans	-58.3	125.3	170.5	-168.8	-108	0	0	0	109.9	W20 E44 V45	F18-W20 HydrophobicContact CE1-CE3 4.23Å; F18-E44 WeakPolarHBondContact CA-OE2 3.49Å; F18-E44 HydrophobicContact CD2-CB 4.27Å; F18-E44 WeakPolarHBondContact CD2-OE2 3.46Å; F18-E44 HydrophobicContact CE2-CB 4.11Å; F18-E44 WeakPolarHBondContact CE2-OE2 3.49Å; F18-E44 WeakPolarHBondContact CG-OE2 3.44Å; F18-E44 HydrophobicContact CZ-CB 4.47Å; F18-V45 HydrophobicContact CD1-CG2 4.07Å; F18-V45 HydrophobicContact CE1-CB 4.1Å; F18-V45 HydrophobicContact CE1-CG2 3.02Å; F18-V45 HydrophobicContact CE2-CG2 4.22Å; F18-V45 HydrophobicContact CZ-CB 4.48Å; F18-V45 HydrophobicContact CZ-CG2 3.09Å
19	H	92.3	Very high	74.4	Confident	62 Å²	62	106 Å²	106	29%	0.287	54%	0.543	S	S	.	.			trans	-92.3	110.7	-174.4	-73	45	0	0	0	110.8	G17 T42 E44 V45	G17-H19 PolarHBondContact O-CE1 3.16Å; G17-H19 VanDerWaalsContact O-CE1 3.23Å; G17-H19 PolarHBondContact O-N 3.17Å; G17-H19 PolarHBondContact O-ND1 3.33Å; H19-T42 VanDerWaalsContact CB-O 3.24Å; H19-T42 WeakPolarHBondContact CB-O 3.28Å; H19-T42 VanDerWaalsContact CD2-CB 3.47Å; H19-T42 WeakPolarHBondContact CD2-CB 3.46Å; H19-E44 PolarHBondContact O-N 2.97Å; H19-V45 PolarHBondContact O-N 2.81Å
20	W	96.4	Very high	76.8	Confident	136 Å²	136	103.1 Å²	103.1	52%	0.515	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	133.4	-179	-176.7	-64.2	0	0	0	110.8	F18 V45 D47 I70	F18-W20 HydrophobicContact CE1-CE3 4.23Å; W20-V45 HydrophobicContact CD2-CB 3.97Å; W20-V45 HydrophobicContact CD2-CG1 3.75Å; W20-V45 HydrophobicContact CE3-CB 3.72Å; W20-V45 HydrophobicContact CE3-CG1 3.52Å; W20-V45 HydrophobicContact CE3-CG2 4.1Å; W20-V45 HydrophobicContact CG-CB 4.35Å; W20-V45 HydrophobicContact CG-CG1 4.5Å; W20-V45 HydrophobicContact CH2-CG1 3.91Å; W20-V45 HydrophobicContact CZ2-CG1 4.11Å; W20-V45 HydrophobicContact CZ3-CB 4.25Å; W20-V45 HydrophobicContact CZ3-CG1 3.61Å; W20-V45 HydrophobicContact CZ3-CG2 4.48Å; W20-D47 HydrophobicContact CZ2-CB 4.11Å; W20-I70 HydrophobicContact CH2-CD1 3.73Å; W20-I70 HydrophobicContact CZ2-CD1 3.95Å
21	L	97.4	Very high	79.7	Confident	30 Å²	30	94.3 Å²	94.3	16%	0.157	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.4	171.6	-174	59.6	0	0	0	110	F23 I36 L43 V45 L46 D47	L21-F23 HydrophobicContact CD1-CE2 4.12Å; L21-F23 HydrophobicContact CD1-CZ 4.33Å; L21-F23 HydrophobicContact CD2-CE2 3.56Å; L21-F23 HydrophobicContact CD2-CZ 4.12Å; L21-F23 HydrophobicContact CG-CD2 4.27Å; L21-F23 HydrophobicContact CG-CE2 3.59Å; L21-F23 HydrophobicContact CG-CZ 4.25Å; L21-I36 HydrophobicContact CD2-CG1 4.2Å; L21-L43 HydrophobicContact CB-CD1 3.43Å; L21-L43 VanDerWaalsContact CB-CD1 3.43Å; L21-L43 HydrophobicContact CB-CD2 4.28Å; L21-L43 HydrophobicContact CD2-CD2 4.2Å; L21-V45 PolarHBondContact N-O 2.8Å; L21-L46 HydrophobicContact CB-CD1 4.47Å; L21-L46 WeakPolarHBondContact O-CA 3.37Å; L21-D47 PolarHBondContact O-N 3.12Å
22	S	98.1	Very high	82.4	Confident	51 Å²	51	87.1 Å²	87.1	36%	0.357	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.9	177.8	-177	0	0	0	0	111.4	A24 D47	S22-A24 WeakPolarHBondContact OG-CB 3.38Å; S22-A24 PolarHBondContact OG-N 3.29Å; S22-D47 CarbonylContact C-O 3.28Å; S22-D47 WeakPolarHBondContact CA-O 3.26Å; S22-D47 PolarHBondContact OG-OD2 3.24Å
23	F	98.4	Very high	85	Confident	23 Å²	23	82.6 Å²	82.6	10%	0.101	43%	0.429	C	S	.	.			trans	-118.9	29.3	166	-62.9	-90.5	0	0	0	111.2	L21 L28 P32 I36 L46 D47 L48 N51	L21-F23 HydrophobicContact CD1-CE2 4.12Å; L21-F23 HydrophobicContact CD1-CZ 4.33Å; L21-F23 HydrophobicContact CD2-CE2 3.56Å; L21-F23 HydrophobicContact CD2-CZ 4.12Å; L21-F23 HydrophobicContact CG-CD2 4.27Å; L21-F23 HydrophobicContact CG-CE2 3.59Å; L21-F23 HydrophobicContact CG-CZ 4.25Å; F23-L28 HydrophobicContact CB-CD1 3.71Å; F23-L28 HydrophobicContact CG-CD1 4.44Å; F23-P32 HydrophobicContact CB-CG 4.48Å; F23-P32 HydrophobicContact CD1-CB 4.44Å; F23-P32 HydrophobicContact CD1-CG 3.6Å; F23-P32 HydrophobicContact CD2-CG 3.9Å; F23-P32 HydrophobicContact CE1-CB 4.17Å; F23-P32 HydrophobicContact CE1-CG 3.67Å; F23-P32 HydrophobicContact CE2-CG 3.94Å; F23-P32 HydrophobicContact CG-CG 3.73Å; F23-P32 HydrophobicContact CZ-CB 4.44Å; F23-P32 HydrophobicContact CZ-CG 3.85Å; F23-I36 HydrophobicContact CD2-CD1 4.42Å; F23-I36 HydrophobicContact CD2-CG1 4.27Å; F23-I36 HydrophobicContact CE2-CD1 4.16Å; F23-I36 HydrophobicContact CE2-CG1 3.56Å; F23-I36 HydrophobicContact CZ-CG1 4.26Å; F23-L46 HydrophobicContact CD2-CD1 4.29Å; F23-D47 PolarHBondContact N-O 3.17Å; F23-L48 HydrophobicContact CB-CD2 4.06Å; F23-L48 HydrophobicContact CD2-CD2 4.08Å; F23-L48 HydrophobicContact CG-CD2 4.45Å; F23-N51 PolarHBondContact O-ND2 3.46Å
24	A	98.4	Very high	87.7	Confident	19 Å²	19	82.8 Å²	82.8	16%	0.157	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	148.8	-177.8	0	0	0	0	0	112.3	S22 Q26 S49	S22-A24 WeakPolarHBondContact OG-CB 3.38Å; S22-A24 PolarHBondContact OG-N 3.29Å; A24-Q26 VanDerWaalsContact C-N 3.31Å; A24-Q26 PolarHBondContact O-N 3.46Å; A24-S49 WeakPolarHBondContact CA-O 3.47Å; A24-S49 WeakPolarHBondContact CB-O 3.39Å; A24-S49 WeakPolarHBondContact CB-OG 3.43Å
25	Y	98.4	Very high	90.1	Very high	158 Å²	158	76.5 Å²	76.5	62%	0.62	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	31.2	175.5	-58.5	-88.9	0	0	0	115.4	S49 Y50	Y25-S49 PolarHBondContact N-O 3.39Å; Y25-S49 VanDerWaalsContact N-O 3.13Å; Y25-Y50 WeakPolarHBondContact CA-O 3.2Å; Y25-Y50 VanDerWaalsContact CD1-CB 3.44Å; Y25-Y50 HydrophobicContact CD1-CD1 4.09Å; Y25-Y50 HydrophobicContact CD1-CD2 4.46Å; Y25-Y50 AromaticContact CD1-CG 3.78Å; Y25-Y50 HydrophobicContact CD1-CG 3.78Å; Y25-Y50 HydrophobicContact CD2-CD2 4.32Å; Y25-Y50 HydrophobicContact CD2-CG 4.35Å; Y25-Y50 AromaticContact CE1-CD1 3.33Å; Y25-Y50 HydrophobicContact CE1-CD1 3.33Å; Y25-Y50 AromaticContact CE1-CD2 3.76Å; Y25-Y50 HydrophobicContact CE1-CD2 3.76Å; Y25-Y50 AromaticContact CE1-CE1 3.88Å; Y25-Y50 HydrophobicContact CE1-CE1 3.88Å; Y25-Y50 HydrophobicContact CE1-CE2 4.3Å; Y25-Y50 AromaticContact CE1-CG 3.24Å; Y25-Y50 HydrophobicContact CE1-CG 3.24Å; Y25-Y50 AromaticContact CE2-CD2 3.58Å; Y25-Y50 HydrophobicContact CE2-CD2 3.58Å; Y25-Y50 HydrophobicContact CE2-CE2 4.14Å; Y25-Y50 AromaticContact CE2-CG 3.89Å; Y25-Y50 HydrophobicContact CE2-CG 3.89Å; Y25-Y50 HydrophobicContact CG-CG 4.3Å; Y25-Y50 AromaticContact CZ-CD1 3.69Å; Y25-Y50 AromaticContact CZ-CD2 3.26Å; Y25-Y50 AromaticContact CZ-CE1 3.96Å; Y25-Y50 AromaticContact CZ-CE2 3.61Å; Y25-Y50 AromaticContact CZ-CG 3.31Å; Y25-Y50 AromaticContact CZ-CZ 3.92Å; Y25-Y50 PolarHBondContact N-O 3.13Å; Y25-Y50 VanDerWaalsContact OH-CD2 3.31Å; Y25-Y50 WeakPolarHBondContact OH-CD2 3.17Å; Y25-Y50 WeakPolarHBondContact OH-CE2 3.02Å
26	Q	98.3	Very high	92.5	Very high	108 Å²	108	71.5 Å²	71.5	51%	0.505	38%	0.376	S	S	.	.	S	Bend	trans	-101.1	-1	-178.2	-68.8	-172.6	18.3	0	0	113.5	A24 L28 N51	A24-Q26 VanDerWaalsContact C-N 3.31Å; A24-Q26 PolarHBondContact O-N 3.46Å; Q26-L28 HydrophobicContact CB-CD1 4.34Å; Q26-L28 HydrophobicContact CB-CD2 4.11Å; Q26-L28 HydrophobicContact CB-CG 3.8Å; Q26-L28 PolarHBondContact O-N 3.41Å; Q26-N51 PolarHBondContact N-OD1 2.87Å
27	G	97.9	Very high	94.4	Very high	43 Å²	43	64.1 Å²	64.1	44%	0.443	34%	0.337	S	S	.	.			trans	64.5	27	-177.1	0	0	0	0	0	112.6	T29 N51	G27-T29 PolarHBondContact O-N 3.35Å; G27-N51 PolarHBondContact N-OD1 2.81Å
28	L	98.4	Very high	96.2	Very high	32 Å²	32	70.4 Å²	70.4	17%	0.168	36%	0.359	C	S	.	.			trans	-63.3	131.8	-176.5	-62.9	173.4	0	0	0	111	F23 Q26 P32 N51 I52 L53	F23-L28 HydrophobicContact CB-CD1 3.71Å; F23-L28 HydrophobicContact CG-CD1 4.44Å; Q26-L28 HydrophobicContact CB-CD1 4.34Å; Q26-L28 HydrophobicContact CB-CD2 4.11Å; Q26-L28 HydrophobicContact CB-CG 3.8Å; Q26-L28 PolarHBondContact O-N 3.41Å; L28-P32 HydrophobicContact CD1-CG 4.16Å; L28-N51 HydrophobicContact CB-CB 4.01Å; L28-N51 PolarHBondContact N-OD1 3.39Å; L28-I52 CarbonylContact O-C 3.58Å; L28-I52 WeakPolarHBondContact O-CA 3.39Å; L28-I52 WeakPolarHBondContact O-CB 3.3Å; L28-I52 PolarHBondContact O-N 3Å; L28-L53 HydrophobicContact CB-CD2 3.96Å
29	T	98.1	Very high	97.1	Very high	97 Å²	97	67.6 Å²	67.6	60%	0.595	35%	0.348	S	S	*	.	S	Bend	trans	-97.1	-13.6	168.4	54.7	0	0	0	0	112.2	G27 I52	G27-T29 PolarHBondContact O-N 3.35Å; T29-I52 HydrophobicContact CG2-CB 4.46Å
30	E	98.2	Very high	97.2	Very high	133 Å²	133	66.2 Å²	66.2	62%	0.621	34%	0.344	S	S	*	.	S	Bend	trans	-140.9	152.6	178.5	62.8	-177	-168.6	0	0	110.6	L53	E30-L53 VanDerWaalsContact C-CD2 3.41Å
31	I	98.4	Very high	96.9	Very high	5 Å²	5	65.5 Å²	65.5	3%	0.026	35%	0.35	C	S	.	.			trans	-74.4	127.7	177.5	-66.9	165.7	0	0	0	108.6	Y33 I36 L48 L53 E55 P57 L60	I31-Y33 HydrophobicContact CB-CD2 4.25Å; I31-Y33 HydrophobicContact CB-CE1 4.15Å; I31-Y33 HydrophobicContact CB-CE2 3.86Å; I31-Y33 HydrophobicContact CD1-CE1 4.5Å; I31-Y33 HydrophobicContact CG2-CD1 3.76Å; I31-Y33 HydrophobicContact CG2-CD2 4.29Å; I31-Y33 HydrophobicContact CG2-CE1 3.61Å; I31-Y33 HydrophobicContact CG2-CE2 4.16Å; I31-Y33 HydrophobicContact CG2-CG 4.12Å; I31-Y33 VanDerWaalsContact O-CD2 3.31Å; I31-Y33 WeakPolarHBondContact O-CD2 3.47Å; I31-Y33 PolarHBondContact O-N 2.85Å; I31-I36 HydrophobicContact CG2-CD1 3.54Å; I31-L48 HydrophobicContact CD1-CD1 4.48Å; I31-L48 HydrophobicContact CG1-CD1 4.22Å; I31-L48 HydrophobicContact CG2-CD1 4.5Å; I31-L53 HydrophobicContact CG1-CD1 4.01Å; I31-L53 HydrophobicContact CG1-CD2 4.18Å; I31-E55 VanDerWaalsContact CB-OE1 3.23Å; I31-E55 WeakPolarHBondContact CB-OE1 3.38Å; I31-E55 HydrophobicContact CD1-CG 4.18Å; I31-E55 WeakPolarHBondContact CD1-OE1 3.38Å; I31-E55 HydrophobicContact CG1-CG 4.44Å; I31-E55 WeakPolarHBondContact CG1-OE1 3.47Å; I31-E55 PolarHBondContact N-OE1 2.76Å; I31-P57 HydrophobicContact CD1-CB 3.64Å; I31-L60 HydrophobicContact CG2-CD2 4.39Å
32	P	97.9	Very high	96.8	Very high	27 Å²	27	66.6 Å²	66.6	18%	0.175	36%	0.358	C	S	.	.			trans	-77.5	70.8	-179.1	31.4	-35.4	0	0	0	111.1	F23 L28 D34 S35 I36	F23-P32 HydrophobicContact CB-CG 4.48Å; F23-P32 HydrophobicContact CD1-CB 4.44Å; F23-P32 HydrophobicContact CD1-CG 3.6Å; F23-P32 HydrophobicContact CD2-CG 3.9Å; F23-P32 HydrophobicContact CE1-CB 4.17Å; F23-P32 HydrophobicContact CE1-CG 3.67Å; F23-P32 HydrophobicContact CE2-CG 3.94Å; F23-P32 HydrophobicContact CG-CG 3.73Å; F23-P32 HydrophobicContact CZ-CB 4.44Å; F23-P32 HydrophobicContact CZ-CG 3.85Å; L28-P32 HydrophobicContact CD1-CG 4.16Å; P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 PolarHBondContact O-N 3.16Å; P32-S35 PolarHBondContact O-N 2.79Å; P32-I36 HydrophobicContact CG-CD1 4.01Å; P32-I36 HydrophobicContact CG-CG1 4.47Å; P32-I36 WeakPolarHBondContact O-CG1 3.21Å; P32-I36 PolarHBondContact O-N 3.13Å; P32-I36 VanDerWaalsContact O-N 3.12Å
33	Y	98.1	Very high	96.8	Very high	36 Å²	36	64.2 Å²	64.2	14%	0.141	34%	0.341	C	S	.	.	H	α-helix	trans	-58.6	-39.8	-173	-72.6	-65.6	0	0	0	113.4	I31 S35 I36 L37 N56 P57 A58 L59 L60	I31-Y33 HydrophobicContact CB-CD2 4.25Å; I31-Y33 HydrophobicContact CB-CE1 4.15Å; I31-Y33 HydrophobicContact CB-CE2 3.86Å; I31-Y33 HydrophobicContact CD1-CE1 4.5Å; I31-Y33 HydrophobicContact CG2-CD1 3.76Å; I31-Y33 HydrophobicContact CG2-CD2 4.29Å; I31-Y33 HydrophobicContact CG2-CE1 3.61Å; I31-Y33 HydrophobicContact CG2-CE2 4.16Å; I31-Y33 HydrophobicContact CG2-CG 4.12Å; I31-Y33 VanDerWaalsContact O-CD2 3.31Å; I31-Y33 WeakPolarHBondContact O-CD2 3.47Å; I31-Y33 PolarHBondContact O-N 2.85Å; Y33-S35 VanDerWaalsContact C-N 3.31Å; Y33-S35 PolarHBondContact O-N 3.07Å; Y33-I36 PolarHBondContact O-N 3.15Å; Y33-L37 VanDerWaalsContact O-CB 3.24Å; Y33-L37 WeakPolarHBondContact O-CB 3.43Å; Y33-L37 WeakPolarHBondContact O-CG 3.36Å; Y33-L37 PolarHBondContact O-N 2.74Å; Y33-N56 PolarHBondContact OH-O 3.4Å; Y33-P57 VanDerWaalsContact OH-CA 3.26Å; Y33-P57 WeakPolarHBondContact OH-CA 3.38Å; Y33-A58 PolarHBondContact OH-N 3.39Å; Y33-L59 HydrophobicContact CD1-CB 3.64Å; Y33-L59 HydrophobicContact CD1-CD1 4.01Å; Y33-L59 HydrophobicContact CD1-CG 4.24Å; Y33-L59 HydrophobicContact CD2-CD1 4.06Å; Y33-L59 HydrophobicContact CE1-CB 3.53Å; Y33-L59 HydrophobicContact CE1-CD1 4.32Å; Y33-L59 HydrophobicContact CE1-CG 4.12Å; Y33-L59 HydrophobicContact CE2-CD1 4.37Å; Y33-L59 HydrophobicContact CG-CB 4.35Å; Y33-L59 HydrophobicContact CG-CD1 3.85Å; Y33-L60 HydrophobicContact CD1-CD2 4.43Å; Y33-L60 HydrophobicContact CE1-CD2 4.06Å; Y33-L60 HydrophobicContact CE1-CG 4.35Å
34	D	96.9	Very high	96.8	Very high	141 Å²	141	65.6 Å²	65.6	75%	0.754	35%	0.348	S	S	*	.	H	α-helix	trans	-57.3	-46.6	-179.3	-69.1	-23	0	0	0	111.2	P32 M38	P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 PolarHBondContact O-N 3.16Å; D34-M38 WeakPolarHBondContact O-CG 3.45Å; D34-M38 PolarHBondContact O-N 2.67Å
35	S	95.9	Very high	96.8	Very high	57 Å²	57	64.8 Å²	64.8	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-68.2	-40.5	178.2	-56.8	0	0	0	0	112.7	P32 Y33	P32-S35 PolarHBondContact O-N 2.79Å; Y33-S35 VanDerWaalsContact C-N 3.31Å; Y33-S35 PolarHBondContact O-N 3.07Å
36	I	97.4	Very high	96.8	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69	-44.9	-178.7	-69.7	164.4	0	0	0	110.9	L21 F23 I31 P32 Y33 M38 Q39 L43 L46 L48 L60 L63	L21-I36 HydrophobicContact CD2-CG1 4.2Å; F23-I36 HydrophobicContact CD2-CD1 4.42Å; F23-I36 HydrophobicContact CD2-CG1 4.27Å; F23-I36 HydrophobicContact CE2-CD1 4.16Å; F23-I36 HydrophobicContact CE2-CG1 3.56Å; F23-I36 HydrophobicContact CZ-CG1 4.26Å; I31-I36 HydrophobicContact CG2-CD1 3.54Å; P32-I36 HydrophobicContact CG-CD1 4.01Å; P32-I36 HydrophobicContact CG-CG1 4.47Å; P32-I36 WeakPolarHBondContact O-CG1 3.21Å; P32-I36 PolarHBondContact O-N 3.13Å; P32-I36 VanDerWaalsContact O-N 3.12Å; Y33-I36 PolarHBondContact O-N 3.15Å; I36-M38 PolarHBondContact O-N 3.13Å; I36-Q39 PolarHBondContact O-N 2.75Å; I36-L43 HydrophobicContact CG2-CD2 4.21Å; I36-L46 HydrophobicContact CD1-CD1 4.12Å; I36-L46 HydrophobicContact CD1-CD2 4.11Å; I36-L46 HydrophobicContact CG1-CD1 4.11Å; I36-L46 HydrophobicContact CG2-CD2 4.22Å; I36-L48 HydrophobicContact CD1-CD2 4.26Å; I36-L60 HydrophobicContact CG2-CD2 4.13Å; I36-L63 HydrophobicContact CG2-CD1 3.7Å; I36-L63 HydrophobicContact CG2-CD2 4.11Å; I36-L63 HydrophobicContact CG2-CG 4.44Å
37	L	96.6	Very high	96.8	Very high	34 Å²	34	53 Å²	53	18%	0.178	29%	0.292	C	S	.	.	H	α-helix	trans	-73.7	-14.1	-174.7	-64.9	177.5	0	0	0	113	Y33 Q39 T40 L59 R62 L63	Y33-L37 VanDerWaalsContact O-CB 3.24Å; Y33-L37 WeakPolarHBondContact O-CB 3.43Å; Y33-L37 WeakPolarHBondContact O-CG 3.36Å; Y33-L37 PolarHBondContact O-N 2.74Å; L37-Q39 PolarHBondContact O-N 3.19Å; L37-T40 WeakPolarHBondContact CA-OG1 3.13Å; L37-T40 PolarHBondContact O-N 2.94Å; L37-T40 PolarHBondContact O-OG1 3.02Å; L37-L59 HydrophobicContact CD1-CB 4.4Å; L37-L59 HydrophobicContact CD1-CD1 4.34Å; L37-R62 HydrophobicContact CD2-CB 4.06Å; L37-L63 HydrophobicContact CD2-CD2 4.25Å
38	M	95.4	Very high	96.8	Very high	169 Å²	169	51 Å²	51	83%	0.833	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.5	166.6	-73.9	177.4	70.6	0	0	113.2	D34 I36	D34-M38 WeakPolarHBondContact O-CG 3.45Å; D34-M38 PolarHBondContact O-N 2.67Å; I36-M38 PolarHBondContact O-N 3.13Å
39	Q	93.3	Very high	96.9	Very high	59 Å²	59	49.9 Å²	49.9	28%	0.276	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	22.2	-178.4	-55.4	-172	20.4	0	0	112.9	I36 L37 D41 T42 L43	I36-Q39 PolarHBondContact O-N 2.75Å; L37-Q39 PolarHBondContact O-N 3.19Å; Q39-D41 VanDerWaalsContact C-N 3.27Å; Q39-D41 PolarHBondContact O-N 2.98Å; Q39-D41 VanDerWaalsContact O-N 3.14Å; Q39-T42 PolarHBondContact O-N 3.33Å; Q39-T42 VanDerWaalsContact O-N 3.08Å; Q39-T42 PolarHBondContact O-OG1 3.12Å; Q39-L43 HydrophobicContact CB-CB 3.99Å; Q39-L43 VanDerWaalsContact O-CB 3.28Å; Q39-L43 WeakPolarHBondContact O-CB 3.22Å; Q39-L43 PolarHBondContact O-N 2.92Å
40	T	93.5	Very high	96.9	Very high	32 Å²	32	49.8 Å²	49.8	20%	0.196	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-40.9	-170.6	-63.6	0	0	0	0	113.9	L37 R62 L63	L37-T40 WeakPolarHBondContact CA-OG1 3.13Å; L37-T40 PolarHBondContact O-N 2.94Å; L37-T40 PolarHBondContact O-OG1 3.02Å; T40-R62 HydrophobicContact CG2-CB 4.27Å; T40-R62 WeakPolarHBondContact CG2-O 3.42Å; T40-L63 HydrophobicContact CG2-CD2 4.46Å
41	D	90.9	Very high	96.9	Very high	122 Å²	122	44 Å²	44	65%	0.652	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-2.3	-173.9	-58.2	-43.9	0	0	0	114.2	Q39 K65	Q39-D41 VanDerWaalsContact C-N 3.27Å; Q39-D41 PolarHBondContact O-N 2.98Å; Q39-D41 VanDerWaalsContact O-N 3.14Å; D41-K65 WeakPolarHBondContact O-CD 3.4Å; D41-K65 WeakPolarHBondContact O-CE 3.27Å; D41-K65 PolarHBondContact O-NZ 2.71Å
42	T	94.8	Very high	96.9	Very high	53 Å²	53	47.9 Å²	47.9	33%	0.325	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-28.5	-171.9	58.3	0	0	0	0	113.6	H19 Q39 E44	H19-T42 VanDerWaalsContact CB-O 3.24Å; H19-T42 WeakPolarHBondContact CB-O 3.28Å; H19-T42 VanDerWaalsContact CD2-CB 3.47Å; H19-T42 WeakPolarHBondContact CD2-CB 3.46Å; Q39-T42 PolarHBondContact O-N 3.33Å; Q39-T42 VanDerWaalsContact O-N 3.08Å; Q39-T42 PolarHBondContact O-OG1 3.12Å; T42-E44 PolarHBondContact O-N 3.46Å
43	L	97.3	Very high	97	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.241	C	C	.	.			trans	-66.8	123.9	-170.1	-173.4	60.6	0	0	0	112.1	L21 I36 Q39 V45 L46 L63 K65 L66	L21-L43 HydrophobicContact CB-CD1 3.43Å; L21-L43 VanDerWaalsContact CB-CD1 3.43Å; L21-L43 HydrophobicContact CB-CD2 4.28Å; L21-L43 HydrophobicContact CD2-CD2 4.2Å; I36-L43 HydrophobicContact CG2-CD2 4.21Å; Q39-L43 HydrophobicContact CB-CB 3.99Å; Q39-L43 VanDerWaalsContact O-CB 3.28Å; Q39-L43 WeakPolarHBondContact O-CB 3.22Å; Q39-L43 PolarHBondContact O-N 2.92Å; L43-V45 VanDerWaalsContact CD1-O 3.3Å; L43-V45 WeakPolarHBondContact CD1-O 3.41Å; L43-L46 HydrophobicContact CD2-CB 4.26Å; L43-L46 HydrophobicContact CD2-CD1 4.38Å; L43-L63 HydrophobicContact CD2-CD1 4.12Å; L43-L63 HydrophobicContact CD2-CD2 4.47Å; L43-K65 CarbonylContact O-C 3.58Å; L43-L66 HydrophobicContact CD2-CD1 4.44Å; L43-L66 HydrophobicContact CG-CD1 4.16Å; L43-L66 WeakPolarHBondContact O-CA 3.43Å; L43-L66 PolarHBondContact O-N 3.29Å; L43-L66 VanDerWaalsContact O-N 3.11Å
44	E	98.1	Very high	97	Very high	53 Å²	53	50 Å²	50	25%	0.248	26%	0.261	C	S	.	.			trans	-109.1	-32.5	-177.4	-77.2	174.8	-166.9	0	0	112.1	F18 H19 T42 K65 N67 T68	F18-E44 WeakPolarHBondContact CA-OE2 3.49Å; F18-E44 HydrophobicContact CD2-CB 4.27Å; F18-E44 WeakPolarHBondContact CD2-OE2 3.46Å; F18-E44 HydrophobicContact CE2-CB 4.11Å; F18-E44 WeakPolarHBondContact CE2-OE2 3.49Å; F18-E44 WeakPolarHBondContact CG-OE2 3.44Å; F18-E44 HydrophobicContact CZ-CB 4.47Å; H19-E44 PolarHBondContact O-N 2.97Å; T42-E44 PolarHBondContact O-N 3.46Å; E44-K65 HydrophobicContact CG-CB 4.42Å; E44-N67 WeakPolarHBondContact CB-ND2 3.38Å; E44-N67 VanDerWaalsContact O-CG 3.29Å; E44-N67 PolarHBondContact O-N 2.95Å; E44-N67 PolarHBondContact O-ND2 3.4Å; E44-N67 PolarHBondContact O-OD1 3.38Å; E44-T68 PolarHBondContact O-N 3.42Å; E44-T68 VanDerWaalsContact O-N 3.15Å
45	V	98.5	Very high	97	Very high	1 Å²	1	46 Å²	46	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	130.2	176.2	-176.5	0	0	0	0	112.2	F18 H19 W20 L21 L43 T68 I70	F18-V45 HydrophobicContact CD1-CG2 4.07Å; F18-V45 HydrophobicContact CE1-CB 4.1Å; F18-V45 HydrophobicContact CE1-CG2 3.02Å; F18-V45 HydrophobicContact CE2-CG2 4.22Å; F18-V45 HydrophobicContact CZ-CB 4.48Å; F18-V45 HydrophobicContact CZ-CG2 3.09Å; H19-V45 PolarHBondContact O-N 2.81Å; W20-V45 HydrophobicContact CD2-CB 3.97Å; W20-V45 HydrophobicContact CD2-CG1 3.75Å; W20-V45 HydrophobicContact CE3-CB 3.72Å; W20-V45 HydrophobicContact CE3-CG1 3.52Å; W20-V45 HydrophobicContact CE3-CG2 4.1Å; W20-V45 HydrophobicContact CG-CB 4.35Å; W20-V45 HydrophobicContact CG-CG1 4.5Å; W20-V45 HydrophobicContact CH2-CG1 3.91Å; W20-V45 HydrophobicContact CZ2-CG1 4.11Å; W20-V45 HydrophobicContact CZ3-CB 4.25Å; W20-V45 HydrophobicContact CZ3-CG1 3.61Å; W20-V45 HydrophobicContact CZ3-CG2 4.48Å; L21-V45 PolarHBondContact N-O 2.8Å; L43-V45 VanDerWaalsContact CD1-O 3.3Å; L43-V45 WeakPolarHBondContact CD1-O 3.41Å; V45-T68 WeakPolarHBondContact CA-O 3.47Å; V45-T68 HydrophobicContact CG1-CG2 4.02Å; V45-T68 HydrophobicContact CG2-CG2 4.5Å; V45-I70 HydrophobicContact CG1-CD1 4.43Å
46	L	98.6	Very high	97.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.7	176.4	179.1	60.3	0	0	0	109.7	L21 F23 I36 L43 L48 L60 L63 L66 T68 L69 I70	L21-L46 HydrophobicContact CB-CD1 4.47Å; L21-L46 WeakPolarHBondContact O-CA 3.37Å; F23-L46 HydrophobicContact CD2-CD1 4.29Å; I36-L46 HydrophobicContact CD1-CD1 4.12Å; I36-L46 HydrophobicContact CD1-CD2 4.11Å; I36-L46 HydrophobicContact CG1-CD1 4.11Å; I36-L46 HydrophobicContact CG2-CD2 4.22Å; L43-L46 HydrophobicContact CD2-CB 4.26Å; L43-L46 HydrophobicContact CD2-CD1 4.38Å; L46-L48 HydrophobicContact CD1-CD2 4.11Å; L46-L48 HydrophobicContact CD1-CG 4.27Å; L46-L48 HydrophobicContact CD2-CD1 4.06Å; L46-L48 HydrophobicContact CD2-CG 4.28Å; L46-L48 HydrophobicContact CG-CD1 4.32Å; L46-L48 HydrophobicContact CG-CD2 4.39Å; L46-L48 HydrophobicContact CG-CG 4.01Å; L46-L60 HydrophobicContact CD2-CD1 4.06Å; L46-L60 HydrophobicContact CD2-CD2 3.79Å; L46-L63 HydrophobicContact CD2-CD1 4.35Å; L46-L66 HydrophobicContact CB-CD1 3.57Å; L46-L66 HydrophobicContact CB-CD2 4.27Å; L46-T68 PolarHBondContact N-O 2.89Å; L46-L69 HydrophobicContact CB-CD1 4.2Å; L46-L69 HydrophobicContact CD2-CD1 4.11Å; L46-L69 HydrophobicContact CG-CD1 4.23Å; L46-I70 PolarHBondContact O-N 3.26Å
47	D	98.8	Very high	97.1	Very high	19 Å²	19	47.1 Å²	47.1	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.1	175.8	175.7	17.3	0	0	0	110.7	W20 L21 S22 F23 S49 I70	W20-D47 HydrophobicContact CZ2-CB 4.11Å; L21-D47 PolarHBondContact O-N 3.12Å; S22-D47 CarbonylContact C-O 3.28Å; S22-D47 WeakPolarHBondContact CA-O 3.26Å; S22-D47 PolarHBondContact OG-OD2 3.24Å; F23-D47 PolarHBondContact N-O 3.17Å; D47-S49 WeakPolarHBondContact OD1-CB 2.82Å; D47-S49 PolarHBondContact OD1-N 2.76Å; D47-S49 PolarHBondContact OD1-OG 3.32Å; D47-I70 HydrophobicContact CB-CB 4.24Å; D47-I70 HydrophobicContact CB-CD1 4.26Å
48	L	98.8	Very high	97	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.256	C	S	.	.			trans	-116.7	20.2	177	-60.8	172.1	0	0	0	111.2	F23 I31 I36 L46 N51 L53 I70 L71 N74	F23-L48 HydrophobicContact CB-CD2 4.06Å; F23-L48 HydrophobicContact CD2-CD2 4.08Å; F23-L48 HydrophobicContact CG-CD2 4.45Å; I31-L48 HydrophobicContact CD1-CD1 4.48Å; I31-L48 HydrophobicContact CG1-CD1 4.22Å; I31-L48 HydrophobicContact CG2-CD1 4.5Å; I36-L48 HydrophobicContact CD1-CD2 4.26Å; L46-L48 HydrophobicContact CD1-CD2 4.11Å; L46-L48 HydrophobicContact CD1-CG 4.27Å; L46-L48 HydrophobicContact CD2-CD1 4.06Å; L46-L48 HydrophobicContact CD2-CG 4.28Å; L46-L48 HydrophobicContact CG-CD1 4.32Å; L46-L48 HydrophobicContact CG-CD2 4.39Å; L46-L48 HydrophobicContact CG-CG 4.01Å; L48-N51 PolarHBondContact O-ND2 3.35Å; L48-L53 HydrophobicContact CB-CD1 3.9Å; L48-L53 HydrophobicContact CD1-CD1 4.23Å; L48-L53 HydrophobicContact CG-CD1 4.5Å; L48-I70 PolarHBondContact N-O 2.89Å; L48-L71 HydrophobicContact CB-CD2 3.99Å; L48-L71 HydrophobicContact CD1-CD2 3.88Å; L48-L71 HydrophobicContact CG-CD2 4.43Å; L48-N74 PolarHBondContact O-ND2 3.09Å
49	S	98.8	Very high	97.1	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.063	23%	0.232	C	C	.	.			trans	-67.7	158.5	-172.8	62.1	0	0	0	0	113.8	A24 Y25 D47 N51 D72	A24-S49 WeakPolarHBondContact CA-O 3.47Å; A24-S49 WeakPolarHBondContact CB-O 3.39Å; A24-S49 WeakPolarHBondContact CB-OG 3.43Å; Y25-S49 PolarHBondContact N-O 3.39Å; Y25-S49 VanDerWaalsContact N-O 3.13Å; D47-S49 WeakPolarHBondContact OD1-CB 2.82Å; D47-S49 PolarHBondContact OD1-N 2.76Å; D47-S49 PolarHBondContact OD1-OG 3.32Å; S49-N51 PolarHBondContact O-N 3.13Å; S49-N51 PolarHBondContact O-ND2 3.28Å; S49-D72 CarbonylContact C-O 3.49Å; S49-D72 WeakPolarHBondContact CA-O 3.1Å; S49-D72 VanDerWaalsContact CB-O 3.28Å; S49-D72 WeakPolarHBondContact CB-O 3.19Å
50	Y	98.8	Very high	97.4	Very high	95 Å²	95	40.7 Å²	40.7	37%	0.373	22%	0.219	S	C	.	.	S	Bend	trans	57	50.2	176.6	-63.4	-92.3	0	0	0	113.2	Y25 D72 S73	Y25-Y50 WeakPolarHBondContact CA-O 3.2Å; Y25-Y50 VanDerWaalsContact CD1-CB 3.44Å; Y25-Y50 HydrophobicContact CD1-CD1 4.09Å; Y25-Y50 HydrophobicContact CD1-CD2 4.46Å; Y25-Y50 AromaticContact CD1-CG 3.78Å; Y25-Y50 HydrophobicContact CD1-CG 3.78Å; Y25-Y50 HydrophobicContact CD2-CD2 4.32Å; Y25-Y50 HydrophobicContact CD2-CG 4.35Å; Y25-Y50 AromaticContact CE1-CD1 3.33Å; Y25-Y50 HydrophobicContact CE1-CD1 3.33Å; Y25-Y50 AromaticContact CE1-CD2 3.76Å; Y25-Y50 HydrophobicContact CE1-CD2 3.76Å; Y25-Y50 AromaticContact CE1-CE1 3.88Å; Y25-Y50 HydrophobicContact CE1-CE1 3.88Å; Y25-Y50 HydrophobicContact CE1-CE2 4.3Å; Y25-Y50 AromaticContact CE1-CG 3.24Å; Y25-Y50 HydrophobicContact CE1-CG 3.24Å; Y25-Y50 AromaticContact CE2-CD2 3.58Å; Y25-Y50 HydrophobicContact CE2-CD2 3.58Å; Y25-Y50 HydrophobicContact CE2-CE2 4.14Å; Y25-Y50 AromaticContact CE2-CG 3.89Å; Y25-Y50 HydrophobicContact CE2-CG 3.89Å; Y25-Y50 HydrophobicContact CG-CG 4.3Å; Y25-Y50 AromaticContact CZ-CD1 3.69Å; Y25-Y50 AromaticContact CZ-CD2 3.26Å; Y25-Y50 AromaticContact CZ-CE1 3.96Å; Y25-Y50 AromaticContact CZ-CE2 3.61Å; Y25-Y50 AromaticContact CZ-CG 3.31Å; Y25-Y50 AromaticContact CZ-CZ 3.92Å; Y25-Y50 PolarHBondContact N-O 3.13Å; Y25-Y50 VanDerWaalsContact OH-CD2 3.31Å; Y25-Y50 WeakPolarHBondContact OH-CD2 3.17Å; Y25-Y50 WeakPolarHBondContact OH-CE2 3.02Å; Y50-D72 PolarHBondContact N-O 3.14Å; Y50-S73 VanDerWaalsContact CA-O 3.29Å; Y50-S73 WeakPolarHBondContact CA-O 3.22Å; Y50-S73 WeakPolarHBondContact CE1-OG 3.38Å; Y50-S73 PolarHBondContact N-O 2.71Å
51	N	98.8	Very high	97.5	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.07	23%	0.225	C	C	.	.	S	Bend	trans	-127.5	-166.4	174.4	-73.4	-59.3	0	0	0	109.7	F23 Q26 G27 L28 L48 S49 L53 S73 N74	F23-N51 PolarHBondContact O-ND2 3.46Å; Q26-N51 PolarHBondContact N-OD1 2.87Å; G27-N51 PolarHBondContact N-OD1 2.81Å; L28-N51 HydrophobicContact CB-CB 4.01Å; L28-N51 PolarHBondContact N-OD1 3.39Å; L48-N51 PolarHBondContact O-ND2 3.35Å; S49-N51 PolarHBondContact O-N 3.13Å; S49-N51 PolarHBondContact O-ND2 3.28Å; N51-L53 HydrophobicContact CB-CD1 4.35Å; N51-L53 HydrophobicContact CB-CG 3.99Å; N51-S73 PolarHBondContact N-O 3.09Å; N51-S73 VanDerWaalsContact O-O 3.13Å; N51-N74 WeakPolarHBondContact CA-OD1 3.32Å; N51-N74 VanDerWaalsContact CB-OD1 3.22Å; N51-N74 WeakPolarHBondContact CB-OD1 3.47Å; N51-N74 PolarHBondContact O-OD1 3.07Å
52	I	98.5	Very high	97.8	Very high	86 Å²	86	41.9 Å²	41.9	44%	0.441	22%	0.221	S	C	.	.			trans	-116.4	19.1	-175.7	-45.2	178.1	0	0	0	109.7	L28 T29 N74 N75	L28-I52 CarbonylContact O-C 3.58Å; L28-I52 WeakPolarHBondContact O-CA 3.39Å; L28-I52 WeakPolarHBondContact O-CB 3.3Å; L28-I52 PolarHBondContact O-N 3Å; T29-I52 HydrophobicContact CG2-CB 4.46Å; I52-N74 PolarHBondContact N-OD1 3.09Å; I52-N75 WeakPolarHBondContact CG2-ND2 3.43Å; I52-N75 PolarHBondContact O-ND2 2.94Å; I52-N75 VanDerWaalsContact O-ND2 3.1Å
53	L	98.7	Very high	98	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.			trans	-67.1	134.1	-172	-56.1	173.6	0	0	0	111.9	L28 E30 I31 L48 N51 N74 N75 Y76	L28-L53 HydrophobicContact CB-CD2 3.96Å; E30-L53 VanDerWaalsContact C-CD2 3.41Å; I31-L53 HydrophobicContact CG1-CD1 4.01Å; I31-L53 HydrophobicContact CG1-CD2 4.18Å; L48-L53 HydrophobicContact CB-CD1 3.9Å; L48-L53 HydrophobicContact CD1-CD1 4.23Å; L48-L53 HydrophobicContact CG-CD1 4.5Å; N51-L53 HydrophobicContact CB-CD1 4.35Å; N51-L53 HydrophobicContact CB-CG 3.99Å; L53-N74 HydrophobicContact CB-CB 4.46Å; L53-N74 VanDerWaalsContact CB-OD1 3.31Å; L53-N74 WeakPolarHBondContact CB-OD1 3.24Å; L53-N74 WeakPolarHBondContact CG-OD1 3.48Å; L53-N74 PolarHBondContact N-OD1 3.4Å; L53-N75 CarbonylContact O-C 3.58Å; L53-N75 WeakPolarHBondContact O-CA 3.49Å; L53-N75 WeakPolarHBondContact O-CB 3.47Å; L53-N75 PolarHBondContact O-N 3.09Å; L53-Y76 HydrophobicContact CB-CE2 4.13Å; L53-Y76 PolarHBondContact O-N 2.75Å
54	D	98.1	Very high	97.9	Very high	106 Å²	106	47.1 Å²	47.1	57%	0.567	24%	0.242	S	C	*	.			trans	-137.6	-2.3	173.4	64.1	-9.1	0	0	0	113.9	N75	D54-N75 HydrophobicContact CB-CB 3.84Å
55	E	97.3	Very high	97.8	Very high	59 Å²	59	50 Å²	50	28%	0.276	25%	0.253	S	S	.	.	S	Bend	trans	-75	168.4	-176.7	66.1	172.5	169.8	0	0	114	I31 P57 Y76	I31-E55 VanDerWaalsContact CB-OE1 3.23Å; I31-E55 WeakPolarHBondContact CB-OE1 3.38Å; I31-E55 HydrophobicContact CD1-CG 4.18Å; I31-E55 WeakPolarHBondContact CD1-OE1 3.38Å; I31-E55 HydrophobicContact CG1-CG 4.44Å; I31-E55 WeakPolarHBondContact CG1-OE1 3.47Å; I31-E55 PolarHBondContact N-OE1 2.76Å; E55-P57 WeakPolarHBondContact O-CD 3.45Å; E55-Y76 VanDerWaalsContact O-CE1 3.24Å; E55-Y76 WeakPolarHBondContact O-CE1 3.38Å
56	N	98.1	Very high	97.8	Very high	80 Å²	80	50 Å²	50	43%	0.428	25%	0.253	S	S	.	.			trans	-79.6	124.3	171.8	-68.9	-33.2	0	0	0	110.2	Y33 A58 K81	Y33-N56 PolarHBondContact OH-O 3.4Å; N56-A58 PolarHBondContact O-N 2.96Å; N56-K81 HydrophobicContact CB-CB 4.42Å; N56-K81 PolarHBondContact OD1-N 3.17Å
57	P	97.1	Very high	97.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.262	C	S	.	.			trans	-76.6	51.9	-178.1	31.6	-36.8	0	0	0	113.1	I31 Y33 E55 L59 L60 K81 F82 P83	I31-P57 HydrophobicContact CD1-CB 3.64Å; Y33-P57 VanDerWaalsContact OH-CA 3.26Å; Y33-P57 WeakPolarHBondContact OH-CA 3.38Å; E55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-L59 VanDerWaalsContact C-N 3.29Å; P57-L59 PolarHBondContact O-N 2.82Å; P57-L60 HydrophobicContact CB-CD1 3.65Å; P57-L60 HydrophobicContact CB-CG 3.9Å; P57-L60 PolarHBondContact O-N 3.06Å; P57-K81 WeakPolarHBondContact CD-O 3.33Å; P57-F82 HydrophobicContact CG-CD1 3.3Å; P57-F82 HydrophobicContact CG-CE1 3.45Å; P57-F82 VanDerWaalsContact CG-CE1 3.45Å; P57-F82 HydrophobicContact CG-CG 4.27Å; P57-F82 HydrophobicContact CG-CZ 4.48Å; P57-P83 VanDerWaalsContact O-CD 3.24Å; P57-P83 WeakPolarHBondContact O-CD 3.43Å; P57-P83 WeakPolarHBondContact O-CG 3.08Å
58	A	95.3	Very high	97.8	Very high	63 Å²	63	52.1 Å²	52.1	52%	0.521	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.5	-163.4	0	0	0	0	0	114.3	Y33 N56	Y33-A58 PolarHBondContact OH-N 3.39Å; N56-A58 PolarHBondContact O-N 2.96Å
59	L	97.9	Very high	97.8	Very high	63 Å²	63	52.1 Å²	52.1	33%	0.33	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.6	-177.2	-51.7	178.2	0	0	0	113.7	Y33 L37 P57 G61 R62	Y33-L59 HydrophobicContact CD1-CB 3.64Å; Y33-L59 HydrophobicContact CD1-CD1 4.01Å; Y33-L59 HydrophobicContact CD1-CG 4.24Å; Y33-L59 HydrophobicContact CD2-CD1 4.06Å; Y33-L59 HydrophobicContact CE1-CB 3.53Å; Y33-L59 HydrophobicContact CE1-CD1 4.32Å; Y33-L59 HydrophobicContact CE1-CG 4.12Å; Y33-L59 HydrophobicContact CE2-CD1 4.37Å; Y33-L59 HydrophobicContact CG-CB 4.35Å; Y33-L59 HydrophobicContact CG-CD1 3.85Å; L37-L59 HydrophobicContact CD1-CB 4.4Å; L37-L59 HydrophobicContact CD1-CD1 4.34Å; P57-L59 VanDerWaalsContact C-N 3.29Å; P57-L59 PolarHBondContact O-N 2.82Å; L59-G61 PolarHBondContact O-N 3.06Å; L59-G61 VanDerWaalsContact O-N 3.12Å; L59-R62 PolarHBondContact O-N 2.93Å; L59-R62 VanDerWaalsContact O-N 3.16Å
60	L	98	Very high	97.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.5	-19.6	178.9	-63.7	-168.9	0	0	0	112.8	I31 Y33 I36 L46 P57 R62 L63 L69 M85	I31-L60 HydrophobicContact CG2-CD2 4.39Å; Y33-L60 HydrophobicContact CD1-CD2 4.43Å; Y33-L60 HydrophobicContact CE1-CD2 4.06Å; Y33-L60 HydrophobicContact CE1-CG 4.35Å; I36-L60 HydrophobicContact CG2-CD2 4.13Å; L46-L60 HydrophobicContact CD2-CD1 4.06Å; L46-L60 HydrophobicContact CD2-CD2 3.79Å; P57-L60 HydrophobicContact CB-CD1 3.65Å; P57-L60 HydrophobicContact CB-CG 3.9Å; P57-L60 PolarHBondContact O-N 3.06Å; L60-R62 PolarHBondContact O-N 3.13Å; L60-R62 VanDerWaalsContact O-N 3.09Å; L60-L63 HydrophobicContact CB-CD1 4.46Å; L60-L63 HydrophobicContact CD2-CD1 3.97Å; L60-L63 WeakPolarHBondContact O-CB 3.22Å; L60-L63 WeakPolarHBondContact O-CG 3.34Å; L60-L63 PolarHBondContact O-N 3.01Å; L60-L69 HydrophobicContact CD1-CD1 4.15Å; L60-L69 HydrophobicContact CD1-CD2 4.39Å; L60-M85 HydrophobicContact CB-SD 3.92Å
61	G	96.8	Very high	97.8	Very high	32 Å²	32	48.5 Å²	48.5	33%	0.33	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-67.2	-6.5	176.4	0	0	0	0	0	114.9	L59 L63	L59-G61 PolarHBondContact O-N 3.06Å; L59-G61 VanDerWaalsContact O-N 3.12Å; G61-L63 VanDerWaalsContact C-N 3.32Å
62	R	97.5	Very high	97.8	Very high	147 Å²	147	49.3 Å²	49.3	56%	0.555	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-76.1	-21.2	170.6	-64.3	-178.7	-180	-176	1.5	112.5	L37 T40 L59 L60 E64	L37-R62 HydrophobicContact CD2-CB 4.06Å; T40-R62 HydrophobicContact CG2-CB 4.27Å; T40-R62 WeakPolarHBondContact CG2-O 3.42Å; L59-R62 PolarHBondContact O-N 2.93Å; L59-R62 VanDerWaalsContact O-N 3.16Å; L60-R62 PolarHBondContact O-N 3.13Å; L60-R62 VanDerWaalsContact O-N 3.09Å; R62-E64 PolarHBondContact O-N 3.26Å
63	L	97.6	Very high	97.8	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.243	C	C	.	.			trans	-81	79.7	-174.5	-53.9	171.9	0	0	0	110.7	I36 L37 T40 L43 L46 L60 G61 K65 L66	I36-L63 HydrophobicContact CG2-CD1 3.7Å; I36-L63 HydrophobicContact CG2-CD2 4.11Å; I36-L63 HydrophobicContact CG2-CG 4.44Å; L37-L63 HydrophobicContact CD2-CD2 4.25Å; T40-L63 HydrophobicContact CG2-CD2 4.46Å; L43-L63 HydrophobicContact CD2-CD1 4.12Å; L43-L63 HydrophobicContact CD2-CD2 4.47Å; L46-L63 HydrophobicContact CD2-CD1 4.35Å; L60-L63 HydrophobicContact CB-CD1 4.46Å; L60-L63 HydrophobicContact CD2-CD1 3.97Å; L60-L63 WeakPolarHBondContact O-CB 3.22Å; L60-L63 WeakPolarHBondContact O-CG 3.34Å; L60-L63 PolarHBondContact O-N 3.01Å; G61-L63 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.3Å; L63-K65 VanDerWaalsContact O-N 3.13Å; L63-L66 HydrophobicContact CB-CB 3.68Å; L63-L66 HydrophobicContact CB-CD2 4.41Å; L63-L66 HydrophobicContact CD1-CB 4.43Å; L63-L66 HydrophobicContact CD1-CD2 3.82Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 2.86Å
64	E	95.3	Very high	97.8	Very high	160 Å²	160	46.7 Å²	46.7	75%	0.748	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.3	-171.1	-61.8	-172.5	171.4	0	0	114.5	R62 S87	R62-E64 PolarHBondContact O-N 3.26Å; E64-S87 WeakPolarHBondContact O-CB 3.39Å
65	K	97.1	Very high	97.8	Very high	114 Å²	114	43.5 Å²	43.5	50%	0.496	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-6	176.8	-65.6	-165.7	-174.5	161.2	0	114.3	D41 L43 E44 L63 N67	D41-K65 WeakPolarHBondContact O-CD 3.4Å; D41-K65 WeakPolarHBondContact O-CE 3.27Å; D41-K65 PolarHBondContact O-NZ 2.71Å; L43-K65 CarbonylContact O-C 3.58Å; E44-K65 HydrophobicContact CG-CB 4.42Å; L63-K65 PolarHBondContact O-N 3.3Å; L63-K65 VanDerWaalsContact O-N 3.13Å; K65-N67 PolarHBondContact O-N 3.13Å; K65-N67 VanDerWaalsContact O-N 3.09Å
66	L	98.3	Very high	97.9	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.215	C	C	.	.			trans	-66.7	114.3	-177.6	-174.5	73.3	0	0	0	109.3	L43 L46 L63 S87 I88	L43-L66 HydrophobicContact CD2-CD1 4.44Å; L43-L66 HydrophobicContact CG-CD1 4.16Å; L43-L66 WeakPolarHBondContact O-CA 3.43Å; L43-L66 PolarHBondContact O-N 3.29Å; L43-L66 VanDerWaalsContact O-N 3.11Å; L46-L66 HydrophobicContact CB-CD1 3.57Å; L46-L66 HydrophobicContact CB-CD2 4.27Å; L63-L66 HydrophobicContact CB-CB 3.68Å; L63-L66 HydrophobicContact CB-CD2 4.41Å; L63-L66 HydrophobicContact CD1-CB 4.43Å; L63-L66 HydrophobicContact CD1-CD2 3.82Å; L63-L66 WeakPolarHBondContact O-CB 3.43Å; L63-L66 PolarHBondContact O-N 2.86Å; L66-S87 CarbonylContact O-C 3.52Å; L66-S87 VanDerWaalsContact O-CB 3.22Å; L66-S87 WeakPolarHBondContact O-CB 3.39Å; L66-S87 PolarHBondContact O-OG 2.84Å; L66-I88 HydrophobicContact CB-CD1 4.41Å; L66-I88 HydrophobicContact CD2-CD1 3.9Å; L66-I88 HydrophobicContact CG-CD1 3.82Å; L66-I88 WeakPolarHBondContact O-CD1 3.43Å
67	N	98.1	Very high	97.9	Very high	34 Å²	34	39.5 Å²	39.5	18%	0.182	21%	0.21	C	C	.	.			trans	-108.4	-26.2	-178.2	66.3	60.4	0	0	0	112.9	E44 K65 S87 T89 A90	E44-N67 WeakPolarHBondContact CB-ND2 3.38Å; E44-N67 VanDerWaalsContact O-CG 3.29Å; E44-N67 PolarHBondContact O-N 2.95Å; E44-N67 PolarHBondContact O-ND2 3.4Å; E44-N67 PolarHBondContact O-OD1 3.38Å; K65-N67 PolarHBondContact O-N 3.13Å; K65-N67 VanDerWaalsContact O-N 3.09Å; N67-S87 WeakPolarHBondContact CA-O 3.48Å; N67-T89 PolarHBondContact O-N 3.04Å; N67-T89 PolarHBondContact O-OG1 3.23Å; N67-A90 PolarHBondContact O-N 2.7Å
68	T	98.8	Very high	98	Very high	29 Å²	29	39.5 Å²	39.5	18%	0.178	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128	179.5	-53.7	0	0	0	0	111	E44 V45 L46 I70 A90	E44-T68 PolarHBondContact O-N 3.42Å; E44-T68 VanDerWaalsContact O-N 3.15Å; V45-T68 WeakPolarHBondContact CA-O 3.47Å; V45-T68 HydrophobicContact CG1-CG2 4.02Å; V45-T68 HydrophobicContact CG2-CG2 4.5Å; L46-T68 PolarHBondContact N-O 2.89Å; T68-I70 HydrophobicContact CG2-CG1 4.14Å; T68-A90 WeakPolarHBondContact CA-O 3.2Å; T68-A90 HydrophobicContact CG2-CB 4Å
69	L	98.8	Very high	98.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.8	177	179.7	61.6	0	0	0	110.6	L46 L60 L71 F82 M85 I88 A90 M91 C92	L46-L69 HydrophobicContact CB-CD1 4.2Å; L46-L69 HydrophobicContact CD2-CD1 4.11Å; L46-L69 HydrophobicContact CG-CD1 4.23Å; L60-L69 HydrophobicContact CD1-CD1 4.15Å; L60-L69 HydrophobicContact CD1-CD2 4.39Å; L69-L71 HydrophobicContact CD1-CD2 3.92Å; L69-L71 HydrophobicContact CD1-CG 4.31Å; L69-L71 HydrophobicContact CD2-CD1 4.04Å; L69-L71 HydrophobicContact CD2-CD2 4.46Å; L69-L71 HydrophobicContact CD2-CG 4.28Å; L69-L71 HydrophobicContact CG-CD1 4.26Å; L69-L71 HydrophobicContact CG-CD2 4.1Å; L69-L71 HydrophobicContact CG-CG 3.95Å; L69-F82 HydrophobicContact CD2-CE1 4.29Å; L69-M85 HydrophobicContact CD2-CE 4.07Å; L69-I88 HydrophobicContact CB-CD1 4Å; L69-A90 PolarHBondContact N-O 3.23Å; L69-M91 VanDerWaalsContact O-CA 3.3Å; L69-M91 WeakPolarHBondContact O-CA 3.41Å; L69-C92 PolarHBondContact O-N 2.89Å
70	I	98.9	Very high	98.2	Very high	28 Å²	28	39 Å²	39	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	116.9	-179	-48.9	176	0	0	0	108.8	W20 V45 L46 D47 L48 T68 D72 C92	W20-I70 HydrophobicContact CH2-CD1 3.73Å; W20-I70 HydrophobicContact CZ2-CD1 3.95Å; V45-I70 HydrophobicContact CG1-CD1 4.43Å; L46-I70 PolarHBondContact O-N 3.26Å; D47-I70 HydrophobicContact CB-CB 4.24Å; D47-I70 HydrophobicContact CB-CD1 4.26Å; L48-I70 PolarHBondContact N-O 2.89Å; T68-I70 HydrophobicContact CG2-CG1 4.14Å; I70-D72 HydrophobicContact CG2-CB 4.45Å; I70-C92 HydrophobicContact CG2-CB 4.2Å
71	L	98.9	Very high	98.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.214	C	C	.	.			trans	-124.1	16.9	-176.2	-60.1	-179.8	0	0	0	112.2	L48 L69 N74 Y76 F82 M91 C92 I93 N96	L48-L71 HydrophobicContact CB-CD2 3.99Å; L48-L71 HydrophobicContact CD1-CD2 3.88Å; L48-L71 HydrophobicContact CG-CD2 4.43Å; L69-L71 HydrophobicContact CD1-CD2 3.92Å; L69-L71 HydrophobicContact CD1-CG 4.31Å; L69-L71 HydrophobicContact CD2-CD1 4.04Å; L69-L71 HydrophobicContact CD2-CD2 4.46Å; L69-L71 HydrophobicContact CD2-CG 4.28Å; L69-L71 HydrophobicContact CG-CD1 4.26Å; L69-L71 HydrophobicContact CG-CD2 4.1Å; L69-L71 HydrophobicContact CG-CG 3.95Å; L71-N74 PolarHBondContact O-ND2 2.96Å; L71-N74 VanDerWaalsContact O-ND2 3.08Å; L71-Y76 HydrophobicContact CB-CD2 4.2Å; L71-Y76 HydrophobicContact CB-CE2 3.93Å; L71-Y76 HydrophobicContact CD1-CD2 4.28Å; L71-Y76 HydrophobicContact CD1-CE2 3.91Å; L71-Y76 HydrophobicContact CD2-CE2 3.95Å; L71-Y76 HydrophobicContact CG-CE2 4.15Å; L71-F82 HydrophobicContact CD1-CE1 3.86Å; L71-F82 HydrophobicContact CD1-CZ 3.9Å; L71-M91 HydrophobicContact CD1-CE 3.55Å; L71-C92 PolarHBondContact N-O 3.36Å; L71-I93 HydrophobicContact CB-CB 4.36Å; L71-I93 HydrophobicContact CB-CG1 4.09Å; L71-I93 HydrophobicContact CD1-CD1 4.19Å; L71-N96 PolarHBondContact O-ND2 3.4Å
72	D	98.9	Very high	98.3	Very high	30 Å²	30	42 Å²	42	16%	0.16	20%	0.199	C	C	.	.			trans	-55.8	144.3	-175.8	-75.1	4	0	0	0	112	S49 Y50 I70 N74 C92 I93 N94	S49-D72 CarbonylContact C-O 3.49Å; S49-D72 WeakPolarHBondContact CA-O 3.1Å; S49-D72 VanDerWaalsContact CB-O 3.28Å; S49-D72 WeakPolarHBondContact CB-O 3.19Å; Y50-D72 PolarHBondContact N-O 3.14Å; I70-D72 HydrophobicContact CG2-CB 4.45Å; D72-N74 PolarHBondContact O-ND2 3.18Å; D72-C92 VanDerWaalsContact OD1-CB 3.24Å; D72-C92 WeakPolarHBondContact OD1-CB 3.28Å; D72-I93 PolarHBondContact OD1-N 3.05Å; D72-N94 CarbonylContact C-O 3.4Å; D72-N94 WeakPolarHBondContact CA-O 3.27Å; D72-N94 HydrophobicContact CB-CB 4.39Å; D72-N94 WeakPolarHBondContact OD1-CB 3.47Å; D72-N94 PolarHBondContact OD1-N 3Å; D72-N94 PolarHBondContact OD1-ND2 2.84Å; D72-N94 PolarHBondContact OD2-ND2 3.15Å
73	S	98.8	Very high	98.3	Very high	24 Å²	24	36.1 Å²	36.1	17%	0.168	18%	0.18	C	C	.	.	S	Bend	trans	55.7	60.1	176.1	-49.4	0	0	0	0	113.2	Y50 N51 N94 K95	Y50-S73 VanDerWaalsContact CA-O 3.29Å; Y50-S73 WeakPolarHBondContact CA-O 3.22Å; Y50-S73 WeakPolarHBondContact CE1-OG 3.38Å; Y50-S73 PolarHBondContact N-O 2.71Å; N51-S73 PolarHBondContact N-O 3.09Å; N51-S73 VanDerWaalsContact O-O 3.13Å; S73-N94 PolarHBondContact N-O 3.05Å; S73-K95 WeakPolarHBondContact CA-O 3.25Å
74	N	98.9	Very high	98.4	Very high	7 Å²	7	42.6 Å²	42.6	4%	0.037	21%	0.205	C	C	.	.	S	Bend	trans	-129.5	-167.3	172.9	-84.5	-73.5	0	0	0	109.9	L48 N51 I52 L53 L71 D72 Y76 N96	L48-N74 PolarHBondContact O-ND2 3.09Å; N51-N74 WeakPolarHBondContact CA-OD1 3.32Å; N51-N74 VanDerWaalsContact CB-OD1 3.22Å; N51-N74 WeakPolarHBondContact CB-OD1 3.47Å; N51-N74 PolarHBondContact O-OD1 3.07Å; I52-N74 PolarHBondContact N-OD1 3.09Å; L53-N74 HydrophobicContact CB-CB 4.46Å; L53-N74 VanDerWaalsContact CB-OD1 3.31Å; L53-N74 WeakPolarHBondContact CB-OD1 3.24Å; L53-N74 WeakPolarHBondContact CG-OD1 3.48Å; L53-N74 PolarHBondContact N-OD1 3.4Å; L71-N74 PolarHBondContact O-ND2 2.96Å; L71-N74 VanDerWaalsContact O-ND2 3.08Å; D72-N74 PolarHBondContact O-ND2 3.18Å; N74-Y76 HydrophobicContact CB-CD2 3.69Å; N74-Y76 HydrophobicContact CB-CE2 3.81Å; N74-N96 WeakPolarHBondContact CA-OD1 3.38Å; N74-N96 WeakPolarHBondContact CB-OD1 3.19Å; N74-N96 PolarHBondContact N-OD1 3.39Å; N74-N96 PolarHBondContact O-OD1 3.04Å; N74-N96 VanDerWaalsContact O-OD1 3.12Å
75	N	98.7	Very high	98.5	Very high	38 Å²	38	35.2 Å²	35.2	20%	0.203	17%	0.171	C	C	.	.			trans	-108	16	-178.6	-71.7	-48.1	0	0	0	113.7	I52 L53 D54 T77 N96 K97	I52-N75 WeakPolarHBondContact CG2-ND2 3.43Å; I52-N75 PolarHBondContact O-ND2 2.94Å; I52-N75 VanDerWaalsContact O-ND2 3.1Å; L53-N75 CarbonylContact O-C 3.58Å; L53-N75 WeakPolarHBondContact O-CA 3.49Å; L53-N75 WeakPolarHBondContact O-CB 3.47Å; L53-N75 PolarHBondContact O-N 3.09Å; D54-N75 HydrophobicContact CB-CB 3.84Å; N75-T77 PolarHBondContact O-N 2.63Å; N75-N96 PolarHBondContact N-OD1 3.05Å; N75-K97 HydrophobicContact CB-CD 4.48Å; N75-K97 WeakPolarHBondContact OD1-CE 3.33Å; N75-K97 PolarHBondContact OD1-NZ 3.43Å
76	Y	98.8	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.164	C	C	.	.			trans	-60.3	134.5	-177.7	-67.9	-69.5	0	0	0	111.9	L53 E55 L71 N74 V80 I93 N96 K97 L98	L53-Y76 HydrophobicContact CB-CE2 4.13Å; L53-Y76 PolarHBondContact O-N 2.75Å; E55-Y76 VanDerWaalsContact O-CE1 3.24Å; E55-Y76 WeakPolarHBondContact O-CE1 3.38Å; L71-Y76 HydrophobicContact CB-CD2 4.2Å; L71-Y76 HydrophobicContact CB-CE2 3.93Å; L71-Y76 HydrophobicContact CD1-CD2 4.28Å; L71-Y76 HydrophobicContact CD1-CE2 3.91Å; L71-Y76 HydrophobicContact CD2-CE2 3.95Å; L71-Y76 HydrophobicContact CG-CE2 4.15Å; N74-Y76 HydrophobicContact CB-CD2 3.69Å; N74-Y76 HydrophobicContact CB-CE2 3.81Å; Y76-V80 HydrophobicContact CD1-CB 4.09Å; Y76-V80 HydrophobicContact CD1-CG2 3.61Å; Y76-V80 HydrophobicContact CE1-CG2 3.97Å; Y76-I93 HydrophobicContact CD2-CD1 4.28Å; Y76-I93 HydrophobicContact CG-CD1 4.32Å; Y76-N96 WeakPolarHBondContact CB-OD1 3.47Å; Y76-N96 WeakPolarHBondContact CD2-OD1 3.37Å; Y76-N96 PolarHBondContact N-OD1 2.9Å; Y76-K97 CarbonylContact O-C 3.55Å; Y76-K97 VanDerWaalsContact O-C 3.28Å; Y76-K97 VanDerWaalsContact O-CA 3.32Å; Y76-K97 WeakPolarHBondContact O-CA 3.28Å; Y76-K97 PolarHBondContact O-N 3.27Å; Y76-L98 PolarHBondContact O-N 2.91Å
77	T	98.6	Very high	98.5	Very high	56 Å²	56	33.7 Å²	33.7	34%	0.344	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-102.5	168.9	173.4	74.5	0	0	0	0	110.4	N75 H79 V80 K97 L98	N75-T77 PolarHBondContact O-N 2.63Å; T77-H79 PolarHBondContact O-N 2.95Å; T77-H79 PolarHBondContact OG1-N 2.92Å; T77-V80 WeakPolarHBondContact O-CG1 3.35Å; T77-V80 PolarHBondContact O-N 3.13Å; T77-V80 VanDerWaalsContact O-N 3.09Å; T77-K97 HydrophobicContact CG2-CB 4.29Å; T77-L98 WeakPolarHBondContact O-CD2 3.06Å
78	S	98.5	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-11.5	177	-61.8	0	0	0	0	114.3	L98 N99 N100 V103	S78-L98 WeakPolarHBondContact OG-CA 3.34Å; S78-N99 PolarHBondContact OG-N 3.45Å; S78-N100 WeakPolarHBondContact CB-O 3.24Å; S78-N100 PolarHBondContact OG-N 3.18Å; S78-N100 PolarHBondContact OG-O 2.8Å; S78-N100 VanDerWaalsContact OG-O 3.12Å; S78-V103 WeakPolarHBondContact O-CG1 3.35Å
79	H	98	Very high	98.6	Very high	113 Å²	113	33 Å²	33	52%	0.523	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.3	179.5	-65.3	-71	0	0	0	114.6	T77 K81	T77-H79 PolarHBondContact O-N 2.95Å; T77-H79 PolarHBondContact OG1-N 2.92Å; H79-K81 PolarHBondContact O-N 2.85Å
80	V	98.4	Very high	98.6	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.018	18%	0.175	C	C	.	.			trans	-49.5	137	173.1	63.9	0	0	0	0	110.6	Y76 T77 F82 F104	Y76-V80 HydrophobicContact CD1-CB 4.09Å; Y76-V80 HydrophobicContact CD1-CG2 3.61Å; Y76-V80 HydrophobicContact CE1-CG2 3.97Å; T77-V80 WeakPolarHBondContact O-CG1 3.35Å; T77-V80 PolarHBondContact O-N 3.13Å; T77-V80 VanDerWaalsContact O-N 3.09Å; V80-F82 HydrophobicContact CB-CE2 4.4Å; V80-F82 HydrophobicContact CG1-CD2 4.25Å; V80-F82 HydrophobicContact CG1-CE2 3.48Å; V80-F82 VanDerWaalsContact CG1-CE2 3.48Å; V80-F82 HydrophobicContact CG1-CZ 3.98Å; V80-F82 HydrophobicContact CG2-CE1 4.44Å; V80-F82 HydrophobicContact CG2-CE2 4.03Å; V80-F82 HydrophobicContact CG2-CZ 3.96Å; V80-F104 HydrophobicContact CG1-CD2 4.26Å; V80-F104 HydrophobicContact CG1-CE2 4.05Å
81	K	98.4	Very high	98.6	Very high	91 Å²	91	32.2 Å²	32.2	40%	0.396	17%	0.168	S	C	.	.			trans	-113.4	115.7	179.9	-61.9	-53.4	179.8	-164	0	110.8	N56 P57 H79 E107	N56-K81 HydrophobicContact CB-CB 4.42Å; N56-K81 PolarHBondContact OD1-N 3.17Å; P57-K81 WeakPolarHBondContact CD-O 3.33Å; H79-K81 PolarHBondContact O-N 2.85Å; K81-E107 VanDerWaalsContact CD-OE2 3.3Å; K81-E107 WeakPolarHBondContact CD-OE2 3.35Å; K81-E107 IonicContact NZ-OE2 2.77Å; K81-E107 PolarHBondContact NZ-OE2 2.95Å
82	F	98.6	Very high	98.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.018	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-92.2	148.2	176.5	-65.7	-82.1	0	0	0	110.5	P57 L69 L71 V80 M85 M91 F104 E107 I108 K111 F112	P57-F82 HydrophobicContact CG-CD1 3.3Å; P57-F82 HydrophobicContact CG-CE1 3.45Å; P57-F82 VanDerWaalsContact CG-CE1 3.45Å; P57-F82 HydrophobicContact CG-CG 4.27Å; P57-F82 HydrophobicContact CG-CZ 4.48Å; L69-F82 HydrophobicContact CD2-CE1 4.29Å; L71-F82 HydrophobicContact CD1-CE1 3.86Å; L71-F82 HydrophobicContact CD1-CZ 3.9Å; V80-F82 HydrophobicContact CB-CE2 4.4Å; V80-F82 HydrophobicContact CG1-CD2 4.25Å; V80-F82 HydrophobicContact CG1-CE2 3.48Å; V80-F82 VanDerWaalsContact CG1-CE2 3.48Å; V80-F82 HydrophobicContact CG1-CZ 3.98Å; V80-F82 HydrophobicContact CG2-CE1 4.44Å; V80-F82 HydrophobicContact CG2-CE2 4.03Å; V80-F82 HydrophobicContact CG2-CZ 3.96Å; F82-M85 HydrophobicContact CD1-CE 4.23Å; F82-M91 HydrophobicContact CE1-CE 3.9Å; F82-M91 HydrophobicContact CE2-CE 3.93Å; F82-M91 HydrophobicContact CZ-CE 3.34Å; F82-F104 HydrophobicContact CE2-CE2 4.25Å; F82-E107 HydrophobicContact CD2-CG 4.05Å; F82-E107 PolarHBondContact N-OE1 3.44Å; F82-E107 VanDerWaalsContact N-OE1 3.07Å; F82-I108 HydrophobicContact CD2-CD1 4.47Å; F82-I108 HydrophobicContact CE2-CD1 4.24Å; F82-K111 HydrophobicContact CB-CB 4.06Å; F82-K111 HydrophobicContact CB-CG 4.09Å; F82-K111 WeakPolarHBondContact O-CD 3.45Å; F82-K111 WeakPolarHBondContact O-CE 3.38Å; F82-K111 PolarHBondContact O-NZ 3.19Å; F82-F112 HydrophobicContact CB-CE1 3.95Å; F82-F112 HydrophobicContact CB-CZ 3.55Å; F82-F112 HydrophobicContact CD1-CE2 4.38Å; F82-F112 AromaticContact CD1-CZ 3.61Å; F82-F112 HydrophobicContact CD1-CZ 3.61Å; F82-F112 HydrophobicContact CD2-CE2 4.15Å; F82-F112 AromaticContact CD2-CZ 3.92Å; F82-F112 HydrophobicContact CD2-CZ 3.92Å; F82-F112 HydrophobicContact CE1-CZ 4.27Å; F82-F112 HydrophobicContact CE2-CE2 4.48Å; F82-F112 HydrophobicContact CG-CE1 4.3Å; F82-F112 HydrophobicContact CG-CE2 4.11Å; F82-F112 AromaticContact CG-CZ 3.42Å; F82-F112 HydrophobicContact CG-CZ 3.42Å; F82-F112 VanDerWaalsContact CG-CZ 3.42Å
83	P	98.3	Very high	98.6	Very high	23 Å²	23	32.3 Å²	32.3	15%	0.149	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-65.5	163.8	162.9	28.7	-30.5	0	0	0	109.7	P57 M85	P57-P83 VanDerWaalsContact O-CD 3.24Å; P57-P83 WeakPolarHBondContact O-CD 3.43Å; P57-P83 WeakPolarHBondContact O-CG 3.08Å; P83-M85 HydrophobicContact CB-CG 4.45Å; P83-M85 HydrophobicContact CG-CG 3.9Å; P83-M85 HydrophobicContact CG-SD 3.88Å; P83-M85 PolarHBondContact O-N 3.42Å
84	Y	98.5	Very high	98.5	Very high	139 Å²	139	32 Å²	32	55%	0.545	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-70.6	118.4	172.6	179.5	-106.5	0	0	0	108.7	P86 P113	Y84-P86 HydrophobicContact CD1-CG 4.23Å; Y84-P86 HydrophobicContact CE1-CB 3.98Å; Y84-P86 HydrophobicContact CE1-CG 3.7Å; Y84-P113 HydrophobicContact CE2-CG 3.83Å
85	M	98.4	Very high	98.5	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.025	19%	0.188	C	C	.	.			trans	-131.9	81	-175.2	-53.6	-164.9	-71.7	0	0	109.8	L60 L69 F82 P83 S87 I88 K111 F112	L60-M85 HydrophobicContact CB-SD 3.92Å; L69-M85 HydrophobicContact CD2-CE 4.07Å; F82-M85 HydrophobicContact CD1-CE 4.23Å; P83-M85 HydrophobicContact CB-CG 4.45Å; P83-M85 HydrophobicContact CG-CG 3.9Å; P83-M85 HydrophobicContact CG-SD 3.88Å; P83-M85 PolarHBondContact O-N 3.42Å; M85-S87 PolarHBondContact O-N 2.56Å; M85-I88 HydrophobicContact CB-CG1 3.74Å; M85-I88 HydrophobicContact CE-CG1 4.08Å; M85-I88 PolarHBondContact O-N 3.02Å; M85-I88 HydrophobicContact SD-CG1 4.47Å; M85-K111 CarbonylContact C-O 3.54Å; M85-K111 PolarHBondContact N-O 3.5Å; M85-F112 HydrophobicContact CB-CD1 3.85Å; M85-F112 HydrophobicContact CB-CE1 3.78Å; M85-F112 HydrophobicContact CE-CD1 4.23Å; M85-F112 HydrophobicContact CE-CE1 3.18Å; M85-F112 HydrophobicContact CE-CZ 3.44Å; M85-F112 VanDerWaalsContact CE-CZ 3.44Å; M85-F112 HydrophobicContact CG-CE1 4.01Å; M85-F112 HydrophobicContact SD-CE1 4.42Å
86	P	98.1	Very high	98.5	Very high	53 Å²	53	35.6 Å²	35.6	34%	0.344	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.1	-176.6	29.7	-35.3	0	0	0	113.6	Y84 I88 P113 N114	Y84-P86 HydrophobicContact CD1-CG 4.23Å; Y84-P86 HydrophobicContact CE1-CB 3.98Å; Y84-P86 HydrophobicContact CE1-CG 3.7Å; P86-I88 VanDerWaalsContact C-N 3.34Å; P86-P113 HydrophobicContact CB-CG 4.1Å; P86-N114 PolarHBondContact O-ND2 2.91Å
87	S	98.3	Very high	98.5	Very high	31 Å²	31	41 Å²	41	22%	0.217	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.1	176.2	56	0	0	0	0	113.4	E64 L66 N67 M85 T89	E64-S87 WeakPolarHBondContact O-CB 3.39Å; L66-S87 CarbonylContact O-C 3.52Å; L66-S87 VanDerWaalsContact O-CB 3.22Å; L66-S87 WeakPolarHBondContact O-CB 3.39Å; L66-S87 PolarHBondContact O-OG 2.84Å; N67-S87 WeakPolarHBondContact CA-O 3.48Å; M85-S87 PolarHBondContact O-N 2.56Å; S87-T89 PolarHBondContact O-N 2.86Å
88	I	98.7	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.			trans	-68.9	120.2	-177.1	-66.6	-70.7	0	0	0	110.5	L66 L69 M85 P86 F112 N114 I115	L66-I88 HydrophobicContact CB-CD1 4.41Å; L66-I88 HydrophobicContact CD2-CD1 3.9Å; L66-I88 HydrophobicContact CG-CD1 3.82Å; L66-I88 WeakPolarHBondContact O-CD1 3.43Å; L69-I88 HydrophobicContact CB-CD1 4Å; M85-I88 HydrophobicContact CB-CG1 3.74Å; M85-I88 HydrophobicContact CE-CG1 4.08Å; M85-I88 PolarHBondContact O-N 3.02Å; M85-I88 HydrophobicContact SD-CG1 4.47Å; P86-I88 VanDerWaalsContact C-N 3.34Å; I88-F112 HydrophobicContact CB-CB 4.41Å; I88-F112 HydrophobicContact CB-CD1 4.06Å; I88-F112 HydrophobicContact CB-CG 4.21Å; I88-F112 HydrophobicContact CG1-CD1 4.28Å; I88-F112 HydrophobicContact CG2-CB 4.28Å; I88-F112 HydrophobicContact CG2-CD1 4.29Å; I88-F112 HydrophobicContact CG2-CD2 4.28Å; I88-F112 HydrophobicContact CG2-CG 4.01Å; I88-N114 CarbonylContact O-C 3.42Å; I88-I115 HydrophobicContact CG2-CD1 3.74Å
89	T	98.8	Very high	98.4	Very high	47 Å²	47	42.6 Å²	42.6	29%	0.288	21%	0.211	S	C	.	.			trans	-113.3	-22.5	175.3	55.1	0	0	0	0	112.6	N67 S87 K116 I117	N67-T89 PolarHBondContact O-N 3.04Å; N67-T89 PolarHBondContact O-OG1 3.23Å; S87-T89 PolarHBondContact O-N 2.86Å; T89-K116 WeakPolarHBondContact O-CA 3.23Å; T89-K116 PolarHBondContact O-N 3.19Å; T89-I117 PolarHBondContact O-N 2.75Å
90	A	98.9	Very high	98.4	Very high	11 Å²	11	40 Å²	40	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	135.4	179.3	0	0	0	0	0	111.8	N67 T68 L69 I117	N67-A90 PolarHBondContact O-N 2.7Å; T68-A90 WeakPolarHBondContact CA-O 3.2Å; T68-A90 HydrophobicContact CG2-CB 4Å; L69-A90 PolarHBondContact N-O 3.23Å; A90-I117 CarbonylContact C-O 3.37Å; A90-I117 WeakPolarHBondContact CA-O 3.42Å; A90-I117 HydrophobicContact CB-CB 3.95Å; A90-I117 HydrophobicContact CB-CD1 4.39Å
91	M	98.7	Very high	98.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	131.7	175.8	-172.2	-172.9	-178.4	0	0	111.5	L69 L71 F82 I93 I108 F112 I115 I117 L118 S119	L69-M91 VanDerWaalsContact O-CA 3.3Å; L69-M91 WeakPolarHBondContact O-CA 3.41Å; L71-M91 HydrophobicContact CD1-CE 3.55Å; F82-M91 HydrophobicContact CE1-CE 3.9Å; F82-M91 HydrophobicContact CE2-CE 3.93Å; F82-M91 HydrophobicContact CZ-CE 3.34Å; M91-I93 HydrophobicContact CE-CB 4.14Å; M91-I93 HydrophobicContact CE-CD1 3.88Å; M91-I93 HydrophobicContact CE-CG2 4.48Å; M91-I108 HydrophobicContact CE-CD1 4.26Å; M91-I108 HydrophobicContact SD-CD1 3.6Å; M91-I108 VanDerWaalsContact SD-CD1 3.6Å; M91-F112 HydrophobicContact CE-CE2 4.32Å; M91-F112 HydrophobicContact SD-CD2 4.06Å; M91-F112 HydrophobicContact SD-CE2 3.54Å; M91-F112 VanDerWaalsContact SD-CE2 3.54Å; M91-I115 HydrophobicContact CB-CD1 3.9Å; M91-I117 PolarHBondContact N-O 3Å; M91-L118 HydrophobicContact CB-CD1 4.37Å; M91-L118 WeakPolarHBondContact O-CA 3.2Å; M91-S119 PolarHBondContact O-N 3.41Å
92	C	98.8	Very high	98.4	Very high	32 Å²	32	40 Å²	40	22%	0.216	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127	170	-61.9	0	0	0	0	108.8	L69 I70 L71 D72	L69-C92 PolarHBondContact O-N 2.89Å; I70-C92 HydrophobicContact CG2-CB 4.2Å; L71-C92 PolarHBondContact N-O 3.36Å; D72-C92 VanDerWaalsContact OD1-CB 3.24Å; D72-C92 WeakPolarHBondContact OD1-CB 3.28Å
93	I	98.8	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.221	C	C	.	.			trans	-138.2	38.2	177.2	-166.3	167.1	0	0	0	110.3	L71 D72 Y76 M91 N96 L98 F104 S119 M120 N123	L71-I93 HydrophobicContact CB-CB 4.36Å; L71-I93 HydrophobicContact CB-CG1 4.09Å; L71-I93 HydrophobicContact CD1-CD1 4.19Å; D72-I93 PolarHBondContact OD1-N 3.05Å; Y76-I93 HydrophobicContact CD2-CD1 4.28Å; Y76-I93 HydrophobicContact CG-CD1 4.32Å; M91-I93 HydrophobicContact CE-CB 4.14Å; M91-I93 HydrophobicContact CE-CD1 3.88Å; M91-I93 HydrophobicContact CE-CG2 4.48Å; I93-N96 HydrophobicContact CG1-CB 4.2Å; I93-N96 WeakPolarHBondContact CG1-ND2 3.45Å; I93-N96 PolarHBondContact O-ND2 3.11Å; I93-L98 HydrophobicContact CD1-CD1 4.3Å; I93-L98 HydrophobicContact CD1-CD2 4.37Å; I93-L98 HydrophobicContact CG1-CD1 4.38Å; I93-L98 HydrophobicContact CG2-CD1 3.89Å; I93-F104 HydrophobicContact CD1-CE2 4.01Å; I93-F104 HydrophobicContact CD1-CZ 3.99Å; I93-F104 HydrophobicContact CG2-CE1 4.16Å; I93-F104 HydrophobicContact CG2-CZ 3.8Å; I93-S119 PolarHBondContact N-O 3.34Å; I93-M120 HydrophobicContact CG2-CB 3.81Å; I93-N123 PolarHBondContact O-ND2 3.08Å
94	N	98.7	Very high	98.4	Very high	18 Å²	18	40.7 Å²	40.7	10%	0.096	21%	0.213	C	C	.	.			trans	-63.4	155.1	-179	-56.3	-49.7	0	0	0	110.9	D72 S73 N96 S119 M120 M121	D72-N94 CarbonylContact C-O 3.4Å; D72-N94 WeakPolarHBondContact CA-O 3.27Å; D72-N94 HydrophobicContact CB-CB 4.39Å; D72-N94 WeakPolarHBondContact OD1-CB 3.47Å; D72-N94 PolarHBondContact OD1-N 3Å; D72-N94 PolarHBondContact OD1-ND2 2.84Å; D72-N94 PolarHBondContact OD2-ND2 3.15Å; S73-N94 PolarHBondContact N-O 3.05Å; N94-N96 VanDerWaalsContact C-N 3.35Å; N94-N96 PolarHBondContact O-N 3.14Å; N94-N96 PolarHBondContact O-ND2 3.06Å; N94-S119 VanDerWaalsContact CG-OG 3.31Å; N94-S119 PolarHBondContact ND2-OG 3.26Å; N94-S119 VanDerWaalsContact OD1-C 3.25Å; N94-S119 WeakPolarHBondContact OD1-CB 3.4Å; N94-S119 PolarHBondContact OD1-O 2.9Å; N94-S119 PolarHBondContact OD1-OG 3.05Å; N94-M120 PolarHBondContact OD1-N 3.4Å; N94-M121 CarbonylContact C-O 3.51Å; N94-M121 WeakPolarHBondContact CA-O 3.24Å; N94-M121 WeakPolarHBondContact CB-O 3.36Å; N94-M121 PolarHBondContact OD1-N 3.34Å
95	K	98.3	Very high	98.4	Very high	107 Å²	107	34.1 Å²	34.1	47%	0.465	19%	0.188	S	C	.	.	S	Bend	trans	52.3	49.1	173.6	-60.7	178.6	179.3	178.1	0	113.3	S73 M121 N122	S73-K95 WeakPolarHBondContact CA-O 3.25Å; K95-M121 PolarHBondContact N-O 2.93Å; K95-N122 WeakPolarHBondContact CA-O 3.32Å; K95-N122 HydrophobicContact CB-CB 4.43Å; K95-N122 WeakPolarHBondContact CE-ND2 3.46Å; K95-N122 HydrophobicContact CG-CB 3.54Å
96	N	98.8	Very high	98.4	Very high	14 Å²	14	37.2 Å²	37.2	8%	0.075	20%	0.202	C	C	.	.	S	Bend	trans	-113	-166.9	173.2	-86.9	-88.2	0	0	0	109.7	L71 N74 N75 Y76 I93 N94 L98 N123	L71-N96 PolarHBondContact O-ND2 3.4Å; N74-N96 WeakPolarHBondContact CA-OD1 3.38Å; N74-N96 WeakPolarHBondContact CB-OD1 3.19Å; N74-N96 PolarHBondContact N-OD1 3.39Å; N74-N96 PolarHBondContact O-OD1 3.04Å; N74-N96 VanDerWaalsContact O-OD1 3.12Å; N75-N96 PolarHBondContact N-OD1 3.05Å; Y76-N96 WeakPolarHBondContact CB-OD1 3.47Å; Y76-N96 WeakPolarHBondContact CD2-OD1 3.37Å; Y76-N96 PolarHBondContact N-OD1 2.9Å; I93-N96 HydrophobicContact CG1-CB 4.2Å; I93-N96 WeakPolarHBondContact CG1-ND2 3.45Å; I93-N96 PolarHBondContact O-ND2 3.11Å; N94-N96 VanDerWaalsContact C-N 3.35Å; N94-N96 PolarHBondContact O-N 3.14Å; N94-N96 PolarHBondContact O-ND2 3.06Å; N96-L98 HydrophobicContact CB-CG 4.31Å; N96-N123 WeakPolarHBondContact CA-OD1 3.3Å; N96-N123 WeakPolarHBondContact CB-OD1 3.31Å; N96-N123 PolarHBondContact N-OD1 2.63Å; N96-N123 VanDerWaalsContact N-OD1 3.11Å; N96-N123 PolarHBondContact O-OD1 2.89Å
97	K	98.3	Very high	98.4	Very high	113 Å²	113	35.3 Å²	35.3	49%	0.491	19%	0.189	S	C	.	.	B	Isolated β-bridge	trans	-105.2	33.8	179.6	-60.5	178.3	-175.5	167.2	0	111.8	N75 Y76 T77 N99	N75-K97 HydrophobicContact CB-CD 4.48Å; N75-K97 WeakPolarHBondContact OD1-CE 3.33Å; N75-K97 PolarHBondContact OD1-NZ 3.43Å; Y76-K97 CarbonylContact O-C 3.55Å; Y76-K97 VanDerWaalsContact O-C 3.28Å; Y76-K97 VanDerWaalsContact O-CA 3.32Å; Y76-K97 WeakPolarHBondContact O-CA 3.28Å; Y76-K97 PolarHBondContact O-N 3.27Å; T77-K97 HydrophobicContact CG2-CB 4.29Å; K97-N99 PolarHBondContact O-N 3.22Å
98	L	98.5	Very high	98.5	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.			trans	-72	118.5	176.3	-48.8	176.8	0	0	0	108.8	Y76 T77 S78 I93 N96 F104 M120 N123 E124 A125	Y76-L98 PolarHBondContact O-N 2.91Å; T77-L98 WeakPolarHBondContact O-CD2 3.06Å; S78-L98 WeakPolarHBondContact OG-CA 3.34Å; I93-L98 HydrophobicContact CD1-CD1 4.3Å; I93-L98 HydrophobicContact CD1-CD2 4.37Å; I93-L98 HydrophobicContact CG1-CD1 4.38Å; I93-L98 HydrophobicContact CG2-CD1 3.89Å; N96-L98 HydrophobicContact CB-CG 4.31Å; L98-F104 HydrophobicContact CD1-CD1 3.86Å; L98-F104 HydrophobicContact CD1-CD2 4.14Å; L98-F104 HydrophobicContact CD1-CE1 3.71Å; L98-F104 HydrophobicContact CD1-CE2 4Å; L98-F104 HydrophobicContact CD1-CG 4.09Å; L98-F104 HydrophobicContact CD1-CZ 3.8Å; L98-F104 HydrophobicContact CD2-CD2 3.78Å; L98-F104 HydrophobicContact CD2-CE2 3.95Å; L98-F104 HydrophobicContact CD2-CG 4.27Å; L98-M120 HydrophobicContact CD1-CB 4.32Å; L98-M120 HydrophobicContact CD1-CE 3.98Å; L98-N123 HydrophobicContact CB-CB 3.88Å; L98-N123 WeakPolarHBondContact CB-OD1 3.39Å; L98-N123 HydrophobicContact CD1-CB 4.47Å; L98-N123 HydrophobicContact CG-CB 4.4Å; L98-N123 WeakPolarHBondContact CG-OD1 3.42Å; L98-N123 PolarHBondContact N-OD1 3.21Å; L98-N123 VanDerWaalsContact N-OD1 3.08Å; L98-E124 PolarHBondContact O-N 2.86Å; L98-E124 VanDerWaalsContact O-N 3.12Å; L98-A125 HydrophobicContact CB-CB 4.17Å; L98-A125 VanDerWaalsContact O-CB 3.3Å; L98-A125 WeakPolarHBondContact O-CB 3.42Å; L98-A125 PolarHBondContact O-N 2.76Å
99	N	97.3	Very high	98.4	Very high	89 Å²	89	38.9 Å²	38.9	48%	0.476	20%	0.197	S	C	.	.			trans	-126.5	-7.2	-176.6	61.4	16.5	0	0	0	113.8	S78 K97 E124	S78-N99 PolarHBondContact OG-N 3.45Å; K97-N99 PolarHBondContact O-N 3.22Å; N99-E124 HydrophobicContact CB-CB 4.21Å; N99-E124 HydrophobicContact CB-CG 4.38Å; N99-E124 WeakPolarHBondContact CB-OE2 3.21Å
100	N	98.2	Very high	98.4	Very high	59 Å²	59	44.1 Å²	44.1	32%	0.316	21%	0.212	S	C	.	.			trans	-125.9	95.6	177.8	-169.2	-38.1	0	0	0	110.5	S78 P102 V103 F104	S78-N100 WeakPolarHBondContact CB-O 3.24Å; S78-N100 PolarHBondContact OG-N 3.18Å; S78-N100 PolarHBondContact OG-O 2.8Å; S78-N100 VanDerWaalsContact OG-O 3.12Å; N100-P102 WeakPolarHBondContact OD1-CD 3.36Å; N100-V103 HydrophobicContact CB-CB 4.3Å; N100-V103 HydrophobicContact CB-CG2 4.37Å; N100-V103 VanDerWaalsContact CG-CG2 3.49Å; N100-V103 PolarHBondContact O-N 2.92Å; N100-V103 VanDerWaalsContact OD1-CG2 3.31Å; N100-V103 WeakPolarHBondContact OD1-CG2 3.25Å; N100-V103 PolarHBondContact OD1-N 2.96Å; N100-F104 PolarHBondContact O-N 3.05Å
101	L	98.3	Very high	98.4	Very high	26 Å²	26	46.3 Å²	46.3	14%	0.136	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-51.2	-175.9	179.9	69.4	0	0	0	113.1	V103 F104 V105 M120 A125 Y141 Y144 I145	L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.46Å; L101-F104 PolarHBondContact O-N 3.16Å; L101-V105 HydrophobicContact CD1-CG2 3.59Å; L101-V105 HydrophobicContact CG-CG2 4.05Å; L101-V105 WeakPolarHBondContact O-CB 3.3Å; L101-V105 VanDerWaalsContact O-CG2 3.29Å; L101-V105 WeakPolarHBondContact O-CG2 3.36Å; L101-V105 PolarHBondContact O-N 2.95Å; L101-M120 HydrophobicContact CD1-CE 3.78Å; L101-M120 HydrophobicContact CD1-SD 4.06Å; L101-A125 HydrophobicContact CB-CB 4.07Å; L101-Y141 HydrophobicContact CD1-CD2 3.93Å; L101-Y141 HydrophobicContact CD1-CE2 3.94Å; L101-Y141 HydrophobicContact CD2-CD2 3.79Å; L101-Y144 HydrophobicContact CD2-CD1 3.5Å; L101-Y144 VanDerWaalsContact CD2-CD1 3.5Å; L101-Y144 HydrophobicContact CD2-CE1 4.08Å; L101-Y144 HydrophobicContact CD2-CG 4.26Å; L101-Y144 HydrophobicContact CG-CD1 3.84Å; L101-Y144 HydrophobicContact CG-CE1 3.95Å; L101-I145 HydrophobicContact CD1-CD1 4Å; L101-I145 HydrophobicContact CD1-CG1 4.08Å
102	P	98.1	Very high	98.4	Very high	67 Å²	67	46.3 Å²	46.3	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-57.4	-40.6	179.6	-28.2	35.8	0	0	0	114.5	N100 E106 Y144	N100-P102 WeakPolarHBondContact OD1-CD 3.36Å; P102-E106 VanDerWaalsContact O-CB 3.32Å; P102-E106 WeakPolarHBondContact O-CB 3.29Å; P102-E106 PolarHBondContact O-N 3.37Å; P102-Y144 WeakPolarHBondContact CA-OH 3.4Å; P102-Y144 WeakPolarHBondContact CB-OH 3.32Å; P102-Y144 HydrophobicContact CG-CE1 4.49Å
103	V	98.4	Very high	98.3	Very high	43 Å²	43	47.7 Å²	47.7	26%	0.261	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-46	179.9	175.4	0	0	0	0	110.6	S78 N100 L101 E107	S78-V103 WeakPolarHBondContact O-CG1 3.35Å; N100-V103 HydrophobicContact CB-CB 4.3Å; N100-V103 HydrophobicContact CB-CG2 4.37Å; N100-V103 VanDerWaalsContact CG-CG2 3.49Å; N100-V103 PolarHBondContact O-N 2.92Å; N100-V103 VanDerWaalsContact OD1-CG2 3.31Å; N100-V103 WeakPolarHBondContact OD1-CG2 3.25Å; N100-V103 PolarHBondContact OD1-N 2.96Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.46Å; V103-E107 PolarHBondContact O-N 2.87Å
104	F	98.6	Very high	98.3	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.1	-45.6	-179.5	-177	-107.8	0	0	0	112	V80 F82 I93 L98 N100 L101 E106 E107 I108 M120	V80-F104 HydrophobicContact CG1-CD2 4.26Å; V80-F104 HydrophobicContact CG1-CE2 4.05Å; F82-F104 HydrophobicContact CE2-CE2 4.25Å; I93-F104 HydrophobicContact CD1-CE2 4.01Å; I93-F104 HydrophobicContact CD1-CZ 3.99Å; I93-F104 HydrophobicContact CG2-CE1 4.16Å; I93-F104 HydrophobicContact CG2-CZ 3.8Å; L98-F104 HydrophobicContact CD1-CD1 3.86Å; L98-F104 HydrophobicContact CD1-CD2 4.14Å; L98-F104 HydrophobicContact CD1-CE1 3.71Å; L98-F104 HydrophobicContact CD1-CE2 4Å; L98-F104 HydrophobicContact CD1-CG 4.09Å; L98-F104 HydrophobicContact CD1-CZ 3.8Å; L98-F104 HydrophobicContact CD2-CD2 3.78Å; L98-F104 HydrophobicContact CD2-CE2 3.95Å; L98-F104 HydrophobicContact CD2-CG 4.27Å; N100-F104 PolarHBondContact O-N 3.05Å; L101-F104 PolarHBondContact O-N 3.16Å; F104-E106 VanDerWaalsContact C-N 3.33Å; F104-E106 PolarHBondContact O-N 3.09Å; F104-E107 WeakPolarHBondContact O-CB 3.42Å; F104-E107 PolarHBondContact O-N 3.39Å; F104-E107 VanDerWaalsContact O-N 3.12Å; F104-I108 HydrophobicContact CD1-CG1 4.17Å; F104-I108 HydrophobicContact CE1-CD1 4.16Å; F104-I108 HydrophobicContact CE1-CG1 3.69Å; F104-I108 HydrophobicContact CE2-CD1 4.05Å; F104-I108 HydrophobicContact CE2-CG1 4.17Å; F104-I108 HydrophobicContact CZ-CD1 3.63Å; F104-I108 HydrophobicContact CZ-CG1 3.67Å; F104-I108 WeakPolarHBondContact O-CG1 3.3Å; F104-I108 PolarHBondContact O-N 2.86Å; F104-M120 HydrophobicContact CD1-CE 4.04Å; F104-M120 HydrophobicContact CD1-SD 4.02Å; F104-M120 HydrophobicContact CE1-CE 4.43Å; F104-M120 HydrophobicContact CE1-SD 4.06Å
105	V	98.3	Very high	98.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	25%	0.247	C	C	.	.	H	α-helix	trans	-63.4	-38.2	179.9	171.9	0	0	0	0	111.7	L101 E107 I108 R109 Y144 I145 Q148 I149	L101-V105 HydrophobicContact CD1-CG2 3.59Å; L101-V105 HydrophobicContact CG-CG2 4.05Å; L101-V105 WeakPolarHBondContact O-CB 3.3Å; L101-V105 VanDerWaalsContact O-CG2 3.29Å; L101-V105 WeakPolarHBondContact O-CG2 3.36Å; L101-V105 PolarHBondContact O-N 2.95Å; V105-E107 VanDerWaalsContact C-N 3.33Å; V105-E107 PolarHBondContact O-N 3.49Å; V105-I108 PolarHBondContact O-N 3.12Å; V105-R109 VanDerWaalsContact O-CB 3.25Å; V105-R109 WeakPolarHBondContact O-CB 3.42Å; V105-R109 PolarHBondContact O-N 3.37Å; V105-Y144 HydrophobicContact CB-CE1 4.28Å; V105-Y144 HydrophobicContact CG1-CE1 4.35Å; V105-Y144 HydrophobicContact CG2-CE1 4.23Å; V105-I145 HydrophobicContact CG2-CD1 4.47Å; V105-I145 HydrophobicContact CG2-CG1 3.94Å; V105-Q148 HydrophobicContact CG1-CB 3.46Å; V105-Q148 VanDerWaalsContact CG1-CB 3.46Å; V105-Q148 HydrophobicContact CG1-CG 3.88Å; V105-I149 HydrophobicContact CG1-CD1 4.3Å; V105-I149 HydrophobicContact CG1-CG1 4.24Å
106	E	98.3	Very high	98.3	Very high	69 Å²	69	50.4 Å²	50.4	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-64.2	-37.8	174.3	178.2	61.2	-172.6	0	0	112.2	P102 F104 R109 R110	P102-E106 VanDerWaalsContact O-CB 3.32Å; P102-E106 WeakPolarHBondContact O-CB 3.29Å; P102-E106 PolarHBondContact O-N 3.37Å; F104-E106 VanDerWaalsContact C-N 3.33Å; F104-E106 PolarHBondContact O-N 3.09Å; E106-R109 IonicContact OE1-CZ 3.45Å; E106-R109 IonicContact OE1-NH2 2.76Å; E106-R109 PolarHBondContact OE1-NH2 3.07Å; E106-R109 IonicContact OE2-CZ 3.92Å; E106-R109 VanDerWaalsContact OE2-CZ 3.24Å; E106-R109 IonicContact OE2-NE 2.81Å; E106-R109 PolarHBondContact OE2-NE 2.92Å; E106-R109 IonicContact OE2-NH2 3.86Å; E106-R109 PolarHBondContact OE2-NH2 2.77Å; E106-R110 WeakPolarHBondContact O-CB 3.24Å; E106-R110 VanDerWaalsContact O-CG 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.3Å; E106-R110 PolarHBondContact O-N 3.07Å; E106-R110 VanDerWaalsContact O-N 3.13Å; E106-R110 WeakPolarHBondContact OE1-CD 3.47Å
107	E	98.6	Very high	98.3	Very high	14 Å²	14	52.7 Å²	52.7	7%	0.065	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-53.3	173.7	-171.2	71.5	-160.1	0	0	110.6	K81 F82 V103 F104 V105 R109 R110 K111	K81-E107 VanDerWaalsContact CD-OE2 3.3Å; K81-E107 WeakPolarHBondContact CD-OE2 3.35Å; K81-E107 IonicContact NZ-OE2 2.77Å; K81-E107 PolarHBondContact NZ-OE2 2.95Å; F82-E107 HydrophobicContact CD2-CG 4.05Å; F82-E107 PolarHBondContact N-OE1 3.44Å; F82-E107 VanDerWaalsContact N-OE1 3.07Å; V103-E107 PolarHBondContact O-N 2.87Å; F104-E107 WeakPolarHBondContact O-CB 3.42Å; F104-E107 PolarHBondContact O-N 3.39Å; F104-E107 VanDerWaalsContact O-N 3.12Å; V105-E107 VanDerWaalsContact C-N 3.33Å; V105-E107 PolarHBondContact O-N 3.49Å; E107-R109 PolarHBondContact O-N 3.35Å; E107-R110 PolarHBondContact O-N 2.99Å; E107-R110 VanDerWaalsContact O-N 3.17Å; E107-K111 HydrophobicContact CG-CG 4.23Å; E107-K111 WeakPolarHBondContact O-CB 3.46Å; E107-K111 VanDerWaalsContact O-CG 3.25Å; E107-K111 WeakPolarHBondContact O-CG 3.42Å; E107-K111 PolarHBondContact O-N 3.12Å; E107-K111 VanDerWaalsContact OE1-CE 3.24Å; E107-K111 WeakPolarHBondContact OE1-CE 3.24Å; E107-K111 WeakPolarHBondContact OE1-CG 3.18Å
108	I	98.6	Very high	98.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-56.6	-49.6	178.8	-63.7	-57.3	0	0	0	111.3	F82 M91 F104 V105 R110 K111 F112 I115 I149	F82-I108 HydrophobicContact CD2-CD1 4.47Å; F82-I108 HydrophobicContact CE2-CD1 4.24Å; M91-I108 HydrophobicContact CE-CD1 4.26Å; M91-I108 HydrophobicContact SD-CD1 3.6Å; M91-I108 VanDerWaalsContact SD-CD1 3.6Å; F104-I108 HydrophobicContact CD1-CG1 4.17Å; F104-I108 HydrophobicContact CE1-CD1 4.16Å; F104-I108 HydrophobicContact CE1-CG1 3.69Å; F104-I108 HydrophobicContact CE2-CD1 4.05Å; F104-I108 HydrophobicContact CE2-CG1 4.17Å; F104-I108 HydrophobicContact CZ-CD1 3.63Å; F104-I108 HydrophobicContact CZ-CG1 3.67Å; F104-I108 WeakPolarHBondContact O-CG1 3.3Å; F104-I108 PolarHBondContact O-N 2.86Å; V105-I108 PolarHBondContact O-N 3.12Å; I108-R110 PolarHBondContact O-N 3.5Å; I108-K111 PolarHBondContact O-N 2.98Å; I108-F112 HydrophobicContact CD1-CD2 3.64Å; I108-F112 HydrophobicContact CD1-CE2 3.46Å; I108-F112 VanDerWaalsContact CD1-CE2 3.46Å; I108-F112 HydrophobicContact CG2-CD2 4.12Å; I108-F112 PolarHBondContact O-N 3.4Å; I108-I115 HydrophobicContact CG2-CG2 4.23Å; I108-I149 HydrophobicContact CG2-CD1 3.95Å
109	R	97.6	Very high	98.4	Very high	105 Å²	105	47.6 Å²	47.6	40%	0.396	23%	0.233	S	C	.	.	H	α-helix	trans	-57.7	-36.8	179.9	-172.7	-172.9	72	79	-0.2	112.7	V105 E106 E107 Q148	V105-R109 VanDerWaalsContact O-CB 3.25Å; V105-R109 WeakPolarHBondContact O-CB 3.42Å; V105-R109 PolarHBondContact O-N 3.37Å; E106-R109 IonicContact OE1-CZ 3.45Å; E106-R109 IonicContact OE1-NH2 2.76Å; E106-R109 PolarHBondContact OE1-NH2 3.07Å; E106-R109 IonicContact OE2-CZ 3.92Å; E106-R109 VanDerWaalsContact OE2-CZ 3.24Å; E106-R109 IonicContact OE2-NE 2.81Å; E106-R109 PolarHBondContact OE2-NE 2.92Å; E106-R109 IonicContact OE2-NH2 3.86Å; E106-R109 PolarHBondContact OE2-NH2 2.77Å; E107-R109 PolarHBondContact O-N 3.35Å; R109-Q148 WeakPolarHBondContact CD-O 3.18Å
110	R	98.1	Very high	98.4	Very high	158 Å²	158	43.3 Å²	43.3	60%	0.596	21%	0.211	S	C	*	.	H	α-helix	trans	-81.7	-35	-179.1	-74.2	-178.5	67.8	161.2	1.6	113.1	E106 E107 I108	E106-R110 WeakPolarHBondContact O-CB 3.24Å; E106-R110 VanDerWaalsContact O-CG 3.27Å; E106-R110 WeakPolarHBondContact O-CG 3.3Å; E106-R110 PolarHBondContact O-N 3.07Å; E106-R110 VanDerWaalsContact O-N 3.13Å; E106-R110 WeakPolarHBondContact OE1-CD 3.47Å; E107-R110 PolarHBondContact O-N 2.99Å; E107-R110 VanDerWaalsContact O-N 3.17Å; I108-R110 PolarHBondContact O-N 3.5Å
111	K	98.7	Very high	98.4	Very high	57 Å²	57	43.3 Å²	43.3	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-93.3	-32.1	-171.4	-61.2	-56	-174.7	154.5	0	112.9	F82 M85 E107 I108 P113	F82-K111 HydrophobicContact CB-CB 4.06Å; F82-K111 HydrophobicContact CB-CG 4.09Å; F82-K111 WeakPolarHBondContact O-CD 3.45Å; F82-K111 WeakPolarHBondContact O-CE 3.38Å; F82-K111 PolarHBondContact O-NZ 3.19Å; M85-K111 CarbonylContact C-O 3.54Å; M85-K111 PolarHBondContact N-O 3.5Å; E107-K111 HydrophobicContact CG-CG 4.23Å; E107-K111 WeakPolarHBondContact O-CB 3.46Å; E107-K111 VanDerWaalsContact O-CG 3.25Å; E107-K111 WeakPolarHBondContact O-CG 3.42Å; E107-K111 PolarHBondContact O-N 3.12Å; E107-K111 VanDerWaalsContact OE1-CE 3.24Å; E107-K111 WeakPolarHBondContact OE1-CE 3.24Å; E107-K111 WeakPolarHBondContact OE1-CG 3.18Å; I108-K111 PolarHBondContact O-N 2.98Å; K111-P113 VanDerWaalsContact C-CD 3.44Å; K111-P113 VanDerWaalsContact O-CD 3.27Å; K111-P113 WeakPolarHBondContact O-CD 3.15Å
112	F	98.6	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.			trans	-120.6	69.6	-178.4	-47.2	-33.7	0	0	0	110	F82 M85 I88 M91 I108 N114 I115	F82-F112 HydrophobicContact CB-CE1 3.95Å; F82-F112 HydrophobicContact CB-CZ 3.55Å; F82-F112 HydrophobicContact CD1-CE2 4.38Å; F82-F112 AromaticContact CD1-CZ 3.61Å; F82-F112 HydrophobicContact CD1-CZ 3.61Å; F82-F112 HydrophobicContact CD2-CE2 4.15Å; F82-F112 AromaticContact CD2-CZ 3.92Å; F82-F112 HydrophobicContact CD2-CZ 3.92Å; F82-F112 HydrophobicContact CE1-CZ 4.27Å; F82-F112 HydrophobicContact CE2-CE2 4.48Å; F82-F112 HydrophobicContact CG-CE1 4.3Å; F82-F112 HydrophobicContact CG-CE2 4.11Å; F82-F112 AromaticContact CG-CZ 3.42Å; F82-F112 HydrophobicContact CG-CZ 3.42Å; F82-F112 VanDerWaalsContact CG-CZ 3.42Å; M85-F112 HydrophobicContact CB-CD1 3.85Å; M85-F112 HydrophobicContact CB-CE1 3.78Å; M85-F112 HydrophobicContact CE-CD1 4.23Å; M85-F112 HydrophobicContact CE-CE1 3.18Å; M85-F112 HydrophobicContact CE-CZ 3.44Å; M85-F112 VanDerWaalsContact CE-CZ 3.44Å; M85-F112 HydrophobicContact CG-CE1 4.01Å; M85-F112 HydrophobicContact SD-CE1 4.42Å; I88-F112 HydrophobicContact CB-CB 4.41Å; I88-F112 HydrophobicContact CB-CD1 4.06Å; I88-F112 HydrophobicContact CB-CG 4.21Å; I88-F112 HydrophobicContact CG1-CD1 4.28Å; I88-F112 HydrophobicContact CG2-CB 4.28Å; I88-F112 HydrophobicContact CG2-CD1 4.29Å; I88-F112 HydrophobicContact CG2-CD2 4.28Å; I88-F112 HydrophobicContact CG2-CG 4.01Å; M91-F112 HydrophobicContact CE-CE2 4.32Å; M91-F112 HydrophobicContact SD-CD2 4.06Å; M91-F112 HydrophobicContact SD-CE2 3.54Å; M91-F112 VanDerWaalsContact SD-CE2 3.54Å; I108-F112 HydrophobicContact CD1-CD2 3.64Å; I108-F112 HydrophobicContact CD1-CE2 3.46Å; I108-F112 VanDerWaalsContact CD1-CE2 3.46Å; I108-F112 HydrophobicContact CG2-CD2 4.12Å; I108-F112 PolarHBondContact O-N 3.4Å; F112-N114 PolarHBondContact O-N 3.06Å; F112-N114 VanDerWaalsContact O-N 3.07Å; F112-I115 HydrophobicContact CB-CB 4.01Å; F112-I115 HydrophobicContact CB-CD1 4.46Å; F112-I115 WeakPolarHBondContact O-CB 3.43Å; F112-I115 WeakPolarHBondContact O-CG2 3.15Å; F112-I115 PolarHBondContact O-N 3.27Å; F112-I115 VanDerWaalsContact O-N 3.13Å
113	P	98.1	Very high	98.3	Very high	61 Å²	61	41.7 Å²	41.7	40%	0.396	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-19.3	-174.3	27.1	-37.8	0	0	0	114.2	Y84 P86 K111	Y84-P113 HydrophobicContact CE2-CG 3.83Å; P86-P113 HydrophobicContact CB-CG 4.1Å; K111-P113 VanDerWaalsContact C-CD 3.44Å; K111-P113 VanDerWaalsContact O-CD 3.27Å; K111-P113 WeakPolarHBondContact O-CD 3.15Å
114	N	98.5	Very high	98.2	Very high	90 Å²	90	47 Å²	47	48%	0.481	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	16.6	-178.6	-60.8	-42	0	0	0	112.9	P86 I88 F112 K116	P86-N114 PolarHBondContact O-ND2 2.91Å; I88-N114 CarbonylContact O-C 3.42Å; F112-N114 PolarHBondContact O-N 3.06Å; F112-N114 VanDerWaalsContact O-N 3.07Å; N114-K116 PolarHBondContact O-N 3.31Å
115	I	98.8	Very high	98.1	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	22%	0.222	C	C	.	.			trans	-60.7	131.2	178.2	-165.1	77.3	0	0	0	110.8	I88 M91 I108 F112 I117 I149 L152	I88-I115 HydrophobicContact CG2-CD1 3.74Å; M91-I115 HydrophobicContact CB-CD1 3.9Å; I108-I115 HydrophobicContact CG2-CG2 4.23Å; F112-I115 HydrophobicContact CB-CB 4.01Å; F112-I115 HydrophobicContact CB-CD1 4.46Å; F112-I115 WeakPolarHBondContact O-CB 3.43Å; F112-I115 WeakPolarHBondContact O-CG2 3.15Å; F112-I115 PolarHBondContact O-N 3.27Å; F112-I115 VanDerWaalsContact O-N 3.13Å; I115-I117 WeakPolarHBondContact CD1-O 3.49Å; I115-I149 HydrophobicContact CG2-CG2 3.58Å; I115-L152 HydrophobicContact CG1-CD1 4.48Å
116	K	98.8	Very high	98.1	Very high	88 Å²	88	47.4 Å²	47.4	38%	0.383	22%	0.223	S	C	.	.			trans	-118.6	-33.8	179.5	-67.5	176.5	167.2	-131.6	0	112.1	T89 N114 L152 E153 I154	T89-K116 WeakPolarHBondContact O-CA 3.23Å; T89-K116 PolarHBondContact O-N 3.19Å; N114-K116 PolarHBondContact O-N 3.31Å; K116-L152 WeakPolarHBondContact O-CD1 3.42Å; K116-E153 HydrophobicContact CB-CB 4.39Å; K116-E153 HydrophobicContact CB-CG 4.22Å; K116-E153 WeakPolarHBondContact CD-OE1 3.47Å; K116-E153 VanDerWaalsContact CE-OE1 3.3Å; K116-E153 WeakPolarHBondContact CE-OE1 3.26Å; K116-E153 HydrophobicContact CG-CG 4.37Å; K116-E153 IonicContact NZ-OE1 3.58Å; K116-E153 PolarHBondContact NZ-OE1 3.22Å; K116-E153 IonicContact NZ-OE2 3.84Å; K116-E153 WeakPolarHBondContact O-CA 3.33Å; K116-E153 PolarHBondContact O-N 2.86Å; K116-I154 PolarHBondContact O-N 3.27Å
117	I	98.9	Very high	97.9	Very high	62 Å²	62	45.4 Å²	45.4	32%	0.318	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.2	-178.9	-53.9	177.2	0	0	0	107.8	T89 A90 M91 I115 I154	T89-I117 PolarHBondContact O-N 2.75Å; A90-I117 CarbonylContact C-O 3.37Å; A90-I117 WeakPolarHBondContact CA-O 3.42Å; A90-I117 HydrophobicContact CB-CB 3.95Å; A90-I117 HydrophobicContact CB-CD1 4.39Å; M91-I117 PolarHBondContact N-O 3Å; I115-I117 WeakPolarHBondContact CD1-O 3.49Å; I117-I154 WeakPolarHBondContact CA-O 3.42Å; I117-I154 HydrophobicContact CB-CB 4.47Å; I117-I154 HydrophobicContact CD1-CD1 4.14Å; I117-I154 HydrophobicContact CG1-CB 4.17Å; I117-I154 HydrophobicContact CG1-CD1 4.18Å; I117-I154 HydrophobicContact CG1-CG1 4.4Å; I117-I154 HydrophobicContact CG2-CB 4.17Å; I117-I154 HydrophobicContact CG2-CG2 4.33Å
118	L	98.8	Very high	97.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.1	175.3	175.8	63.5	0	0	0	108.7	M91 I145 I149 L152 I154 L155 D156	M91-L118 HydrophobicContact CB-CD1 4.37Å; M91-L118 WeakPolarHBondContact O-CA 3.2Å; L118-I145 HydrophobicContact CD2-CG2 4.47Å; L118-I149 HydrophobicContact CD2-CD1 4.21Å; L118-L152 HydrophobicContact CB-CD1 3.73Å; L118-L152 HydrophobicContact CB-CD2 4.47Å; L118-I154 PolarHBondContact N-O 3.22Å; L118-I154 VanDerWaalsContact N-O 3.09Å; L118-L155 CarbonylContact O-C 3.51Å; L118-L155 WeakPolarHBondContact O-CA 3.42Å; L118-L155 WeakPolarHBondContact O-CD1 3.33Å; L118-D156 PolarHBondContact O-N 2.74Å
119	S	98.6	Very high	97	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	125.5	169.2	-173.3	0	0	0	0	109.7	M91 I93 N94 M121	M91-S119 PolarHBondContact O-N 3.41Å; I93-S119 PolarHBondContact N-O 3.34Å; N94-S119 VanDerWaalsContact CG-OG 3.31Å; N94-S119 PolarHBondContact ND2-OG 3.26Å; N94-S119 VanDerWaalsContact OD1-C 3.25Å; N94-S119 WeakPolarHBondContact OD1-CB 3.4Å; N94-S119 PolarHBondContact OD1-O 2.9Å; N94-S119 PolarHBondContact OD1-OG 3.05Å; S119-M121 WeakPolarHBondContact OG-CE 3.49Å
120	M	97.9	Very high	96.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.274	C	S	.	.			trans	-135.1	25.1	176.5	62.1	178.4	-73	0	0	112.3	I93 N94 L98 L101 F104 N123 A125 A126 Y141 I145 D156	I93-M120 HydrophobicContact CG2-CB 3.81Å; N94-M120 PolarHBondContact OD1-N 3.4Å; L98-M120 HydrophobicContact CD1-CB 4.32Å; L98-M120 HydrophobicContact CD1-CE 3.98Å; L101-M120 HydrophobicContact CD1-CE 3.78Å; L101-M120 HydrophobicContact CD1-SD 4.06Å; F104-M120 HydrophobicContact CD1-CE 4.04Å; F104-M120 HydrophobicContact CD1-SD 4.02Å; F104-M120 HydrophobicContact CE1-CE 4.43Å; F104-M120 HydrophobicContact CE1-SD 4.06Å; M120-N123 WeakPolarHBondContact O-CB 3.34Å; M120-N123 PolarHBondContact O-ND2 2.81Å; M120-A125 HydrophobicContact CE-CB 3.91Å; M120-A126 HydrophobicContact CE-CB 4.15Å; M120-A126 HydrophobicContact CG-CB 4.09Å; M120-A126 WeakPolarHBondContact O-CB 3.36Å; M120-Y141 HydrophobicContact CE-CE2 4.26Å; M120-Y141 HydrophobicContact CG-CE2 4.18Å; M120-Y141 WeakPolarHBondContact CG-OH 3.18Å; M120-Y141 HydrophobicContact SD-CE2 3.99Å; M120-I145 HydrophobicContact SD-CD1 3.83Å; M120-D156 PolarHBondContact N-OD1 3.3Å
121	M	97.6	Very high	95.9	Very high	58 Å²	58	54 Å²	54	29%	0.286	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	153.4	176.4	-63.6	-171.2	-79.2	0	0	112.9	N94 K95 S119 N123 D156	N94-M121 CarbonylContact C-O 3.51Å; N94-M121 WeakPolarHBondContact CA-O 3.24Å; N94-M121 WeakPolarHBondContact CB-O 3.36Å; N94-M121 PolarHBondContact OD1-N 3.34Å; K95-M121 PolarHBondContact N-O 2.93Å; S119-M121 WeakPolarHBondContact OG-CE 3.49Å; M121-N123 PolarHBondContact O-N 2.91Å; M121-N123 PolarHBondContact O-ND2 3.03Å; M121-D156 HydrophobicContact CG-CB 3.55Å; M121-D156 WeakPolarHBondContact CG-OD1 3.33Å; M121-D156 PolarHBondContact N-OD1 2.84Å; M121-D156 HydrophobicContact SD-CB 3.99Å
122	N	96.7	Very high	95.5	Very high	58 Å²	58	54.8 Å²	54.8	31%	0.31	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	29.5	179.3	-59.4	-36.3	0	0	0	113.8	K95	K95-N122 WeakPolarHBondContact CA-O 3.32Å; K95-N122 HydrophobicContact CB-CB 4.43Å; K95-N122 WeakPolarHBondContact CE-ND2 3.46Å; K95-N122 HydrophobicContact CG-CB 3.54Å
123	N	98	Very high	95.3	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.011	29%	0.29	C	S	.	.	S	Bend	trans	-102.4	154.9	161.3	-76.3	-84.2	0	0	0	109.4	I93 N96 L98 M120 M121 A125 A126 N131	I93-N123 PolarHBondContact O-ND2 3.08Å; N96-N123 WeakPolarHBondContact CA-OD1 3.3Å; N96-N123 WeakPolarHBondContact CB-OD1 3.31Å; N96-N123 PolarHBondContact N-OD1 2.63Å; N96-N123 VanDerWaalsContact N-OD1 3.11Å; N96-N123 PolarHBondContact O-OD1 2.89Å; L98-N123 HydrophobicContact CB-CB 3.88Å; L98-N123 WeakPolarHBondContact CB-OD1 3.39Å; L98-N123 HydrophobicContact CD1-CB 4.47Å; L98-N123 HydrophobicContact CG-CB 4.4Å; L98-N123 WeakPolarHBondContact CG-OD1 3.42Å; L98-N123 PolarHBondContact N-OD1 3.21Å; L98-N123 VanDerWaalsContact N-OD1 3.08Å; M120-N123 WeakPolarHBondContact O-CB 3.34Å; M120-N123 PolarHBondContact O-ND2 2.81Å; M121-N123 PolarHBondContact O-N 2.91Å; M121-N123 PolarHBondContact O-ND2 3.03Å; N123-A125 PolarHBondContact O-N 3.22Å; N123-A126 HydrophobicContact CB-CB 4.28Å; N123-A126 CarbonylContact O-C 3.52Å; N123-A126 PolarHBondContact O-N 3.31Å; N123-N131 PolarHBondContact O-ND2 2.62Å
124	E	96.5	Very high	95.2	Very high	153 Å²	153	54.9 Å²	54.9	72%	0.715	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-36.3	175.1	-175.1	-176.8	168	0	0	111.6	L98 N99 A126	L98-E124 PolarHBondContact O-N 2.86Å; L98-E124 VanDerWaalsContact O-N 3.12Å; N99-E124 HydrophobicContact CB-CB 4.21Å; N99-E124 HydrophobicContact CB-CG 4.38Å; N99-E124 WeakPolarHBondContact CB-OE2 3.21Å; E124-A126 PolarHBondContact O-N 2.92Å
125	A	97	Very high	95	Very high	9 Å²	9	56.8 Å²	56.8	7%	0.074	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-11	174.9	0	0	0	0	0	114.5	L98 L101 M120 N123 P127 Y141	L98-A125 HydrophobicContact CB-CB 4.17Å; L98-A125 VanDerWaalsContact O-CB 3.3Å; L98-A125 WeakPolarHBondContact O-CB 3.42Å; L98-A125 PolarHBondContact O-N 2.76Å; L101-A125 HydrophobicContact CB-CB 4.07Å; M120-A125 HydrophobicContact CE-CB 3.91Å; N123-A125 PolarHBondContact O-N 3.22Å; A125-P127 WeakPolarHBondContact O-CD 3.34Å; A125-Y141 WeakPolarHBondContact O-CD2 3.23Å
126	A	96.6	Very high	94.9	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	33%	0.329	C	S	.	.	S	Bend	trans	-121.1	76.2	-179.3	0	0	0	0	0	110.1	M120 N123 E124 S128 N131 Y141	M120-A126 HydrophobicContact CE-CB 4.15Å; M120-A126 HydrophobicContact CG-CB 4.09Å; M120-A126 WeakPolarHBondContact O-CB 3.36Å; N123-A126 HydrophobicContact CB-CB 4.28Å; N123-A126 CarbonylContact O-C 3.52Å; N123-A126 PolarHBondContact O-N 3.31Å; E124-A126 PolarHBondContact O-N 2.92Å; A126-S128 PolarHBondContact O-N 3.39Å; A126-N131 PolarHBondContact O-ND2 3.18Å; A126-Y141 HydrophobicContact CB-CD2 4.34Å; A126-Y141 HydrophobicContact CB-CE2 3.66Å
127	P	94.5	Very high	94.8	Very high	26 Å²	26	62.4 Å²	62.4	17%	0.169	33%	0.333	C	S	.	.			trans	-65.8	133.3	-178.8	27.7	-35	0	0	0	110.9	A125 Q137 Y138	A125-P127 WeakPolarHBondContact O-CD 3.34Å; P127-Q137 HydrophobicContact CB-CB 3.92Å; P127-Q137 HydrophobicContact CG-CB 3.88Å; P127-Y138 WeakPolarHBondContact O-CA 3.41Å; P127-Y138 WeakPolarHBondContact O-CB 3.28Å; P127-Y138 WeakPolarHBondContact O-CD2 3.41Å
128	S	91.6	Very high	94.7	Very high	15 Å²	15	61.9 Å²	61.9	11%	0.105	33%	0.328	C	S	.	.			trans	-147.2	167.6	178.2	71.8	0	0	0	0	109.5	A126 F130 N131 G132 G133	A126-S128 PolarHBondContact O-N 3.39Å; S128-F130 PolarHBondContact O-N 3.18Å; S128-F130 VanDerWaalsContact O-N 3.15Å; S128-F130 PolarHBondContact OG-N 3.33Å; S128-N131 WeakPolarHBondContact CA-OD1 3.18Å; S128-N131 PolarHBondContact N-OD1 3.31Å; S128-N131 PolarHBondContact O-N 2.89Å; S128-N131 PolarHBondContact O-OD1 2.77Å; S128-N131 PolarHBondContact OG-OD1 2.98Å; S128-G132 PolarHBondContact O-N 2.74Å; S128-G133 CarbonylContact C-O 3.18Å; S128-G133 VanDerWaalsContact O-CA 3.28Å; S128-G133 WeakPolarHBondContact O-CA 3.09Å; S128-G133 PolarHBondContact O-N 3.25Å
129	Y	86.9	Confident	94.6	Very high	210 Å²	210	65.1 Å²	65.1	82%	0.824	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-57.9	-30.2	174.9	-174.5	-100.8	0	0	0	112.6	N131	Y129-N131 PolarHBondContact O-N 2.8Å
130	F	84.8	Confident	94.6	Very high	171 Å²	171	69.2 Å²	69.2	75%	0.75	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-73.1	-22	-177.2	-58.5	-69.7	0	0	0	114.4	S128	S128-F130 PolarHBondContact O-N 3.18Å; S128-F130 VanDerWaalsContact O-N 3.15Å; S128-F130 PolarHBondContact OG-N 3.33Å
131	N	88.9	Confident	94.6	Very high	63 Å²	63	69.5 Å²	69.5	34%	0.337	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-119.9	25.3	178.8	65.1	-5.1	0	0	0	112.7	N123 A126 S128 Y129	N123-N131 PolarHBondContact O-ND2 2.62Å; A126-N131 PolarHBondContact O-ND2 3.18Å; S128-N131 WeakPolarHBondContact CA-OD1 3.18Å; S128-N131 PolarHBondContact N-OD1 3.31Å; S128-N131 PolarHBondContact O-N 2.89Å; S128-N131 PolarHBondContact O-OD1 2.77Å; S128-N131 PolarHBondContact OG-OD1 2.98Å; Y129-N131 PolarHBondContact O-N 2.8Å
132	G	90.4	Very high	94.6	Very high	73 Å²	73	67.2 Å²	67.2	75%	0.753	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	6.9	173.3	0	0	0	0	0	115.2	S128	S128-G132 PolarHBondContact O-N 2.74Å
133	G	93.5	Very high	94.7	Very high	10 Å²	10	64.9 Å²	64.9	10%	0.103	34%	0.343	C	S	.	.			trans	-75.5	144.7	172.3	0	0	0	0	0	112.8	S128	S128-G133 CarbonylContact C-O 3.18Å; S128-G133 VanDerWaalsContact O-CA 3.28Å; S128-G133 WeakPolarHBondContact O-CA 3.09Å; S128-G133 PolarHBondContact O-N 3.25Å
134	S	96.3	Very high	94.7	Very high	53 Å²	53	66.4 Å²	66.4	37%	0.371	35%	0.349	S	S	.	.			trans	-78.6	160.1	169.5	65.2	0	0	0	0	111.9	T136 Q137 Y138	S134-T136 PolarHBondContact O-N 3.28Å; S134-Q137 PolarHBondContact O-N 3.01Å; S134-Q137 VanDerWaalsContact O-N 3.14Å; S134-Q137 WeakPolarHBondContact OG-CG 3.33Å; S134-Q137 PolarHBondContact OG-N 3.14Å; S134-Q137 PolarHBondContact OG-OE1 3.35Å; S134-Y138 PolarHBondContact O-N 3.28Å
135	L	94.8	Very high	94.8	Very high	129 Å²	129	59.1 Å²	59.1	68%	0.675	32%	0.315	S	S	*	.	H	α-helix	trans	-55.7	-39.3	173.4	179.3	61.6	0	0	0	112.1	Y138 I139	L135-Y138 PolarHBondContact O-N 3.27Å; L135-I139 HydrophobicContact CD1-CD1 4.09Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.89Å; L135-I139 HydrophobicContact CG-CG1 4.5Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 2.81Å
136	T	96	Very high	94.8	Very high	109 Å²	109	59 Å²	59	67%	0.669	31%	0.312	S	S	*	.	H	α-helix	trans	-63.3	-43	178.1	-53.5	0	0	0	0	111.7	S134 I139 D140	S134-T136 PolarHBondContact O-N 3.28Å; T136-I139 PolarHBondContact O-N 3.43Å; T136-D140 PolarHBondContact O-N 3.09Å
137	Q	97.1	Very high	94.9	Very high	101 Å²	101	60.2 Å²	60.2	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-64.7	-42.2	176.7	-73.9	165	-57.1	0	0	111.5	P127 S134 D140 Y141	P127-Q137 HydrophobicContact CB-CB 3.92Å; P127-Q137 HydrophobicContact CG-CB 3.88Å; S134-Q137 PolarHBondContact O-N 3.01Å; S134-Q137 VanDerWaalsContact O-N 3.14Å; S134-Q137 WeakPolarHBondContact OG-CG 3.33Å; S134-Q137 PolarHBondContact OG-N 3.14Å; S134-Q137 PolarHBondContact OG-OE1 3.35Å; Q137-D140 PolarHBondContact O-N 3.35Å; Q137-Y141 WeakPolarHBondContact O-CB 3.31Å; Q137-Y141 PolarHBondContact O-N 3.12Å
138	Y	97	Very high	95	Very high	51 Å²	51	61.1 Å²	61.1	20%	0.2	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-45	174.5	173.5	-102.6	0	0	0	111.8	P127 S134 L135 D140 Y141 R142	P127-Y138 WeakPolarHBondContact O-CA 3.41Å; P127-Y138 WeakPolarHBondContact O-CB 3.28Å; P127-Y138 WeakPolarHBondContact O-CD2 3.41Å; S134-Y138 PolarHBondContact O-N 3.28Å; L135-Y138 PolarHBondContact O-N 3.27Å; Y138-D140 PolarHBondContact O-N 2.82Å; Y138-Y141 HydrophobicContact CD2-CD1 4.1Å; Y138-Y141 HydrophobicContact CD2-CE1 4.42Å; Y138-Y141 HydrophobicContact CE2-CD1 4.35Å; Y138-Y141 HydrophobicContact CE2-CE1 4.29Å; Y138-Y141 PolarHBondContact O-N 3.48Å; Y138-R142 VanDerWaalsContact O-CB 3.23Å; Y138-R142 WeakPolarHBondContact O-CB 3.45Å; Y138-R142 PolarHBondContact O-N 2.86Å; Y138-R142 PolarHBondContact OH-NH1 2.93Å
139	I	96.8	Very high	95.3	Very high	68 Å²	68	60.8 Å²	60.8	35%	0.349	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-44	178	-70.2	167.6	0	0	0	111.2	L135 T136 R142 L143	L135-I139 HydrophobicContact CD1-CD1 4.09Å; L135-I139 HydrophobicContact CD1-CG1 4.3Å; L135-I139 HydrophobicContact CG-CD1 3.89Å; L135-I139 HydrophobicContact CG-CG1 4.5Å; L135-I139 VanDerWaalsContact O-CG1 3.28Å; L135-I139 WeakPolarHBondContact O-CG1 3.48Å; L135-I139 PolarHBondContact O-N 2.81Å; T136-I139 PolarHBondContact O-N 3.43Å; I139-R142 PolarHBondContact O-N 3.03Å; I139-L143 HydrophobicContact CG2-CD1 3.66Å; I139-L143 HydrophobicContact CG2-CG 4.22Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.5Å; I139-L143 PolarHBondContact O-N 3.17Å
140	D	97.4	Very high	95.6	Very high	93 Å²	93	55.4 Å²	55.4	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-61.8	-50	177.3	-170.1	56.3	0	0	0	111.1	T136 Q137 Y138 R142 L143 Y144 Y172	T136-D140 PolarHBondContact O-N 3.09Å; Q137-D140 PolarHBondContact O-N 3.35Å; Y138-D140 PolarHBondContact O-N 2.82Å; D140-R142 PolarHBondContact O-N 2.79Å; D140-L143 PolarHBondContact O-N 3.35Å; D140-Y144 WeakPolarHBondContact O-CB 3.48Å; D140-Y144 PolarHBondContact O-N 3.27Å; D140-Y172 VanDerWaalsContact CG-OH 3.31Å; D140-Y172 PolarHBondContact O-OH 2.94Å; D140-Y172 PolarHBondContact OD1-OH 3.03Å
141	Y	97.9	Very high	96.2	Very high	6 Å²	6	49.5 Å²	49.5	2%	0.024	30%	0.298	C	S	.	.	H	α-helix	trans	-52	-51.1	172.7	152.5	-96.5	0	0	0	112.4	L101 M120 A125 A126 Q137 Y138 Y144 I145 D156	L101-Y141 HydrophobicContact CD1-CD2 3.93Å; L101-Y141 HydrophobicContact CD1-CE2 3.94Å; L101-Y141 HydrophobicContact CD2-CD2 3.79Å; M120-Y141 HydrophobicContact CE-CE2 4.26Å; M120-Y141 HydrophobicContact CG-CE2 4.18Å; M120-Y141 WeakPolarHBondContact CG-OH 3.18Å; M120-Y141 HydrophobicContact SD-CE2 3.99Å; A125-Y141 WeakPolarHBondContact O-CD2 3.23Å; A126-Y141 HydrophobicContact CB-CD2 4.34Å; A126-Y141 HydrophobicContact CB-CE2 3.66Å; Q137-Y141 WeakPolarHBondContact O-CB 3.31Å; Q137-Y141 PolarHBondContact O-N 3.12Å; Y138-Y141 HydrophobicContact CD2-CD1 4.1Å; Y138-Y141 HydrophobicContact CD2-CE1 4.42Å; Y138-Y141 HydrophobicContact CE2-CD1 4.35Å; Y138-Y141 HydrophobicContact CE2-CE1 4.29Å; Y138-Y141 PolarHBondContact O-N 3.48Å; Y141-Y144 WeakPolarHBondContact O-CB 3.16Å; Y141-Y144 PolarHBondContact O-N 3.12Å; Y141-I145 HydrophobicContact CD2-CD1 3.93Å; Y141-I145 HydrophobicContact CE1-CD1 4.37Å; Y141-I145 HydrophobicContact CE2-CD1 3.22Å; Y141-I145 HydrophobicContact CE2-CG1 4.22Å; Y141-I145 VanDerWaalsContact CZ-CD1 3.48Å; Y141-I145 PolarHBondContact O-N 2.94Å; Y141-I145 VanDerWaalsContact O-N 3.09Å; Y141-D156 WeakPolarHBondContact CE1-OD2 3.44Å; Y141-D156 PolarHBondContact OH-OD1 3.33Å; Y141-D156 PolarHBondContact OH-OD2 3.45Å
142	R	98.1	Very high	96.6	Very high	9 Å²	9	46.5 Å²	46.5	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-64	-48.4	-175.1	-175.5	171.7	-179.2	80.5	2.3	111.2	Y138 I139 D140 Y144 I145 I146 L155 T158 E159 E164	Y138-R142 VanDerWaalsContact O-CB 3.23Å; Y138-R142 WeakPolarHBondContact O-CB 3.45Å; Y138-R142 PolarHBondContact O-N 2.86Å; Y138-R142 PolarHBondContact OH-NH1 2.93Å; I139-R142 PolarHBondContact O-N 3.03Å; D140-R142 PolarHBondContact O-N 2.79Å; R142-Y144 VanDerWaalsContact C-N 3.3Å; R142-Y144 PolarHBondContact O-N 3.22Å; R142-I145 PolarHBondContact O-N 2.62Å; R142-I146 HydrophobicContact CG-CD1 3.83Å; R142-I146 WeakPolarHBondContact O-CD1 3.36Å; R142-I146 VanDerWaalsContact O-CG1 3.22Å; R142-I146 WeakPolarHBondContact O-CG1 3.21Å; R142-I146 PolarHBondContact O-N 2.78Å; R142-I146 VanDerWaalsContact O-N 3.07Å; R142-L155 HydrophobicContact CB-CD2 4.49Å; R142-L155 HydrophobicContact CG-CD2 3.93Å; R142-L155 PolarHBondContact NH1-O 3.47Å; R142-T158 PolarHBondContact NH1-OG1 3.23Å; R142-T158 PolarHBondContact NH2-O 3.36Å; R142-T158 PolarHBondContact NH2-OG1 2.93Å; R142-T158 VanDerWaalsContact NH2-OG1 3.13Å; R142-E159 PolarHBondContact NH2-O 3.43Å; R142-E164 WeakPolarHBondContact CD-OE1 3.31Å; R142-E164 IonicContact CZ-OE1 2.8Å; R142-E164 IonicContact NE-OE1 3.69Å; R142-E164 PolarHBondContact NE-OE1 3.31Å; R142-E164 IonicContact NE-OE2 2.85Å; R142-E164 IonicContact NH2-OE1 3.24Å; R142-E164 IonicContact NH2-OE2 2.71Å
143	L	98.1	Very high	97	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	27%	0.266	C	S	.	.	H	α-helix	trans	-66	-34.3	178.4	-65.8	173.3	0	0	0	111.9	I139 D140 S147 E164 Q167 A168 Y172	I139-L143 HydrophobicContact CG2-CD1 3.66Å; I139-L143 HydrophobicContact CG2-CG 4.22Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.5Å; I139-L143 PolarHBondContact O-N 3.17Å; D140-L143 PolarHBondContact O-N 3.35Å; L143-S147 WeakPolarHBondContact O-CB 3.28Å; L143-S147 PolarHBondContact O-N 3.31Å; L143-E164 HydrophobicContact CD2-CB 4.17Å; L143-E164 WeakPolarHBondContact CD2-O 3.22Å; L143-Q167 HydrophobicContact CD1-CG 3.77Å; L143-Q167 HydrophobicContact CD2-CB 3.98Å; L143-Q167 HydrophobicContact CD2-CG 4.05Å; L143-A168 HydrophobicContact CB-CB 4.16Å; L143-A168 HydrophobicContact CD2-CB 4.05Å; L143-A168 VanDerWaalsContact O-CB 3.22Å; L143-A168 WeakPolarHBondContact O-CB 3.37Å; L143-Y172 VanDerWaalsContact C-CE2 3.41Å; L143-Y172 HydrophobicContact CB-CE2 3.71Å
144	Y	98.3	Very high	97.3	Very high	35 Å²	35	49.7 Å²	49.7	14%	0.137	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-54	175	177.3	-99	0	0	0	110.6	L101 P102 V105 D140 Y141 R142 I146 S147 Q148 Y172	L101-Y144 HydrophobicContact CD2-CD1 3.5Å; L101-Y144 VanDerWaalsContact CD2-CD1 3.5Å; L101-Y144 HydrophobicContact CD2-CE1 4.08Å; L101-Y144 HydrophobicContact CD2-CG 4.26Å; L101-Y144 HydrophobicContact CG-CD1 3.84Å; L101-Y144 HydrophobicContact CG-CE1 3.95Å; P102-Y144 WeakPolarHBondContact CA-OH 3.4Å; P102-Y144 WeakPolarHBondContact CB-OH 3.32Å; P102-Y144 HydrophobicContact CG-CE1 4.49Å; V105-Y144 HydrophobicContact CB-CE1 4.28Å; V105-Y144 HydrophobicContact CG1-CE1 4.35Å; V105-Y144 HydrophobicContact CG2-CE1 4.23Å; D140-Y144 WeakPolarHBondContact O-CB 3.48Å; D140-Y144 PolarHBondContact O-N 3.27Å; Y141-Y144 WeakPolarHBondContact O-CB 3.16Å; Y141-Y144 PolarHBondContact O-N 3.12Å; R142-Y144 VanDerWaalsContact C-N 3.3Å; R142-Y144 PolarHBondContact O-N 3.22Å; Y144-I146 PolarHBondContact O-N 3.19Å; Y144-S147 WeakPolarHBondContact O-CB 3.24Å; Y144-S147 PolarHBondContact O-N 2.8Å; Y144-S147 PolarHBondContact O-OG 2.84Å; Y144-Q148 HydrophobicContact CD1-CG 4.33Å; Y144-Q148 HydrophobicContact CD2-CG 4.43Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 4Å; Y144-Q148 WeakPolarHBondContact O-CG 3.34Å; Y144-Q148 PolarHBondContact O-N 2.99Å; Y144-Q148 VanDerWaalsContact O-N 3.14Å; Y144-Y172 VanDerWaalsContact CA-CE2 3.48Å; Y144-Y172 AromaticContact CD2-CD1 3.99Å; Y144-Y172 HydrophobicContact CD2-CD1 3.99Å; Y144-Y172 AromaticContact CD2-CE1 3.88Å; Y144-Y172 HydrophobicContact CD2-CE1 3.88Å; Y144-Y172 VanDerWaalsContact N-CE2 3.28Å
145	I	98.3	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-47.8	179.1	-66.9	-179.5	0	0	0	111.1	L101 V105 L118 M120 Y141 R142 S147 Q148 I149 L152 L155	L101-I145 HydrophobicContact CD1-CD1 4Å; L101-I145 HydrophobicContact CD1-CG1 4.08Å; V105-I145 HydrophobicContact CG2-CD1 4.47Å; V105-I145 HydrophobicContact CG2-CG1 3.94Å; L118-I145 HydrophobicContact CD2-CG2 4.47Å; M120-I145 HydrophobicContact SD-CD1 3.83Å; Y141-I145 HydrophobicContact CD2-CD1 3.93Å; Y141-I145 HydrophobicContact CE1-CD1 4.37Å; Y141-I145 HydrophobicContact CE2-CD1 3.22Å; Y141-I145 HydrophobicContact CE2-CG1 4.22Å; Y141-I145 VanDerWaalsContact CZ-CD1 3.48Å; Y141-I145 PolarHBondContact O-N 2.94Å; Y141-I145 VanDerWaalsContact O-N 3.09Å; R142-I145 PolarHBondContact O-N 2.62Å; I145-S147 PolarHBondContact O-N 2.94Å; I145-Q148 PolarHBondContact O-N 3.22Å; I145-I149 HydrophobicContact CG2-CD1 4.16Å; I145-I149 PolarHBondContact O-N 3.08Å; I145-L152 HydrophobicContact CG2-CD2 3.72Å; I145-L155 HydrophobicContact CB-CD2 3.78Å; I145-L155 HydrophobicContact CD1-CD1 3.87Å; I145-L155 HydrophobicContact CD1-CD2 4.09Å; I145-L155 HydrophobicContact CG1-CD2 4.49Å; I145-L155 HydrophobicContact CG2-CD1 4.11Å; I145-L155 HydrophobicContact CG2-CD2 3.8Å
146	I	98.2	Very high	97.5	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	23%	0.229	C	C	.	.	H	α-helix	trans	-57.1	-35.1	178.6	-67.9	165.6	0	0	0	111.3	R142 Y144 L155 V160 E164 R165 A168	R142-I146 HydrophobicContact CG-CD1 3.83Å; R142-I146 WeakPolarHBondContact O-CD1 3.36Å; R142-I146 VanDerWaalsContact O-CG1 3.22Å; R142-I146 WeakPolarHBondContact O-CG1 3.21Å; R142-I146 PolarHBondContact O-N 2.78Å; R142-I146 VanDerWaalsContact O-N 3.07Å; Y144-I146 PolarHBondContact O-N 3.19Å; I146-L155 HydrophobicContact CG1-CD2 4.4Å; I146-V160 HydrophobicContact CB-CG1 4.49Å; I146-V160 HydrophobicContact CD1-CG1 3.83Å; I146-V160 HydrophobicContact CD1-CG2 4.32Å; I146-V160 HydrophobicContact CG1-CG1 3.77Å; I146-V160 HydrophobicContact CG1-CG2 4.08Å; I146-V160 HydrophobicContact CG2-CG1 3.91Å; I146-E164 HydrophobicContact CD1-CB 3.86Å; I146-R165 HydrophobicContact CG2-CB 4.39Å; I146-R165 HydrophobicContact CG2-CG 3.9Å; I146-A168 HydrophobicContact CB-CB 4.13Å; I146-A168 HydrophobicContact CG2-CB 3.87Å
147	S	97.6	Very high	97.4	Very high	27 Å²	27	41.7 Å²	41.7	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-71.5	-30.7	176.6	79.7	0	0	0	0	113.7	L143 Y144 I145	L143-S147 WeakPolarHBondContact O-CB 3.28Å; L143-S147 PolarHBondContact O-N 3.31Å; Y144-S147 WeakPolarHBondContact O-CB 3.24Å; Y144-S147 PolarHBondContact O-N 2.8Å; Y144-S147 PolarHBondContact O-OG 2.84Å; I145-S147 PolarHBondContact O-N 2.94Å
148	Q	97.4	Very high	97.4	Very high	45 Å²	45	39.6 Å²	39.6	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-90.2	-26.5	-176.6	-60.6	-47.5	-67.9	0	0	113.1	V105 R109 Y144 I145 P150	V105-Q148 HydrophobicContact CG1-CB 3.46Å; V105-Q148 VanDerWaalsContact CG1-CB 3.46Å; V105-Q148 HydrophobicContact CG1-CG 3.88Å; R109-Q148 WeakPolarHBondContact CD-O 3.18Å; Y144-Q148 HydrophobicContact CD1-CG 4.33Å; Y144-Q148 HydrophobicContact CD2-CG 4.43Å; Y144-Q148 HydrophobicContact CE1-CG 3.9Å; Y144-Q148 HydrophobicContact CE2-CG 4Å; Y144-Q148 WeakPolarHBondContact O-CG 3.34Å; Y144-Q148 PolarHBondContact O-N 2.99Å; Y144-Q148 VanDerWaalsContact O-N 3.14Å; I145-Q148 PolarHBondContact O-N 3.22Å; Q148-P150 WeakPolarHBondContact O-CD 3.17Å
149	I	97.6	Very high	97.4	Very high	9 Å²	9	43.6 Å²	43.6	5%	0.046	24%	0.24	C	C	.	.			trans	-123	80	-178.7	-48.8	-179.7	0	0	0	109.5	V105 I108 I115 L118 I145 G151 L152	V105-I149 HydrophobicContact CG1-CD1 4.3Å; V105-I149 HydrophobicContact CG1-CG1 4.24Å; I108-I149 HydrophobicContact CG2-CD1 3.95Å; I115-I149 HydrophobicContact CG2-CG2 3.58Å; L118-I149 HydrophobicContact CD2-CD1 4.21Å; I145-I149 HydrophobicContact CG2-CD1 4.16Å; I145-I149 PolarHBondContact O-N 3.08Å; I149-G151 PolarHBondContact O-N 3.11Å; I149-G151 VanDerWaalsContact O-N 3.15Å; I149-L152 HydrophobicContact CB-CB 4.21Å; I149-L152 HydrophobicContact CG2-CB 3.9Å; I149-L152 HydrophobicContact CG2-CD1 4.47Å; I149-L152 WeakPolarHBondContact O-CB 3.43Å; I149-L152 PolarHBondContact O-N 2.91Å; I149-L152 VanDerWaalsContact O-N 3.13Å
150	P	93.9	Very high	97.5	Very high	96 Å²	96	40.7 Å²	40.7	62%	0.623	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.1	-174.1	-24.5	34.8	0	0	0	114.6	Q148 L152 R165	Q148-P150 WeakPolarHBondContact O-CD 3.17Å; P150-L152 VanDerWaalsContact C-N 3.32Å; P150-R165 PolarHBondContact O-NH1 3.31Å
151	G	96.4	Very high	97.6	Very high	47 Å²	47	39.3 Å²	39.3	49%	0.485	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.3	178.9	0	0	0	0	0	115	I149 E153	I149-G151 PolarHBondContact O-N 3.11Å; I149-G151 VanDerWaalsContact O-N 3.15Å; G151-E153 PolarHBondContact O-N 2.89Å
152	L	98.5	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.241	C	C	.	.			trans	-68.5	125.7	-175.1	-164.7	71.3	0	0	0	111.2	I115 K116 L118 I145 I149 P150 L155 V160 R165	I115-L152 HydrophobicContact CG1-CD1 4.48Å; K116-L152 WeakPolarHBondContact O-CD1 3.42Å; L118-L152 HydrophobicContact CB-CD1 3.73Å; L118-L152 HydrophobicContact CB-CD2 4.47Å; I145-L152 HydrophobicContact CG2-CD2 3.72Å; I149-L152 HydrophobicContact CB-CB 4.21Å; I149-L152 HydrophobicContact CG2-CB 3.9Å; I149-L152 HydrophobicContact CG2-CD1 4.47Å; I149-L152 WeakPolarHBondContact O-CB 3.43Å; I149-L152 PolarHBondContact O-N 2.91Å; I149-L152 VanDerWaalsContact O-N 3.13Å; P150-L152 VanDerWaalsContact C-N 3.32Å; L152-L155 HydrophobicContact CD2-CB 3.76Å; L152-L155 HydrophobicContact CD2-CD1 4.12Å; L152-L155 HydrophobicContact CD2-CD2 4.32Å; L152-L155 HydrophobicContact CD2-CG 4.29Å; L152-V160 HydrophobicContact CD2-CG2 4.49Å; L152-V160 HydrophobicContact CG-CG2 4.48Å; L152-R165 PolarHBondContact O-NH2 2.88Å
153	E	98.7	Very high	97.6	Very high	89 Å²	89	50.9 Å²	50.9	42%	0.416	27%	0.27	S	S	.	.	S	Bend	trans	-97.7	-39.1	-178.4	-64.2	174.3	-169.4	0	0	111.3	K116 G151 V160	K116-E153 HydrophobicContact CB-CB 4.39Å; K116-E153 HydrophobicContact CB-CG 4.22Å; K116-E153 WeakPolarHBondContact CD-OE1 3.47Å; K116-E153 VanDerWaalsContact CE-OE1 3.3Å; K116-E153 WeakPolarHBondContact CE-OE1 3.26Å; K116-E153 HydrophobicContact CG-CG 4.37Å; K116-E153 IonicContact NZ-OE1 3.58Å; K116-E153 PolarHBondContact NZ-OE1 3.22Å; K116-E153 IonicContact NZ-OE2 3.84Å; K116-E153 WeakPolarHBondContact O-CA 3.33Å; K116-E153 PolarHBondContact O-N 2.86Å; G151-E153 PolarHBondContact O-N 2.89Å; E153-V160 PolarHBondContact O-N 2.99Å
154	I	98.8	Very high	97.6	Very high	61 Å²	61	51.8 Å²	51.8	31%	0.313	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.1	178.6	-57.5	176.3	0	0	0	108.8	K116 I117 L118	K116-I154 PolarHBondContact O-N 3.27Å; I117-I154 WeakPolarHBondContact CA-O 3.42Å; I117-I154 HydrophobicContact CB-CB 4.47Å; I117-I154 HydrophobicContact CD1-CD1 4.14Å; I117-I154 HydrophobicContact CG1-CB 4.17Å; I117-I154 HydrophobicContact CG1-CD1 4.18Å; I117-I154 HydrophobicContact CG1-CG1 4.4Å; I117-I154 HydrophobicContact CG2-CB 4.17Å; I117-I154 HydrophobicContact CG2-CG2 4.33Å; L118-I154 PolarHBondContact N-O 3.22Å; L118-I154 VanDerWaalsContact N-O 3.09Å
155	L	98.6	Very high	97.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.9	172.8	176	55.6	0	0	0	109.1	L118 R142 I145 I146 L152 D157 T158 V160	L118-L155 CarbonylContact O-C 3.51Å; L118-L155 WeakPolarHBondContact O-CA 3.42Å; L118-L155 WeakPolarHBondContact O-CD1 3.33Å; R142-L155 HydrophobicContact CB-CD2 4.49Å; R142-L155 HydrophobicContact CG-CD2 3.93Å; R142-L155 PolarHBondContact NH1-O 3.47Å; I145-L155 HydrophobicContact CB-CD2 3.78Å; I145-L155 HydrophobicContact CD1-CD1 3.87Å; I145-L155 HydrophobicContact CD1-CD2 4.09Å; I145-L155 HydrophobicContact CG1-CD2 4.49Å; I145-L155 HydrophobicContact CG2-CD1 4.11Å; I145-L155 HydrophobicContact CG2-CD2 3.8Å; I146-L155 HydrophobicContact CG1-CD2 4.4Å; L152-L155 HydrophobicContact CD2-CB 3.76Å; L152-L155 HydrophobicContact CD2-CD1 4.12Å; L152-L155 HydrophobicContact CD2-CD2 4.32Å; L152-L155 HydrophobicContact CD2-CG 4.29Å; L155-D157 PolarHBondContact O-N 3.15Å; L155-T158 PolarHBondContact N-O 2.79Å; L155-T158 PolarHBondContact O-N 3.44Å; L155-T158 VanDerWaalsContact O-O 3.13Å; L155-T158 PolarHBondContact O-OG1 3.02Å; L155-V160 HydrophobicContact CB-CG2 4.06Å
156	D	96.8	Very high	97.5	Very high	14 Å²	14	54.6 Å²	54.6	8%	0.075	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	58	-107.9	-172.3	-59.4	-47.1	0	0	0	110.5	L118 M120 M121 Y141	L118-D156 PolarHBondContact O-N 2.74Å; M120-D156 PolarHBondContact N-OD1 3.3Å; M121-D156 HydrophobicContact CG-CB 3.55Å; M121-D156 WeakPolarHBondContact CG-OD1 3.33Å; M121-D156 PolarHBondContact N-OD1 2.84Å; M121-D156 HydrophobicContact SD-CB 3.99Å; Y141-D156 WeakPolarHBondContact CE1-OD2 3.44Å; Y141-D156 PolarHBondContact OH-OD1 3.33Å; Y141-D156 PolarHBondContact OH-OD2 3.45Å
157	D	93.1	Very high	97.5	Very high	110 Å²	110	58.8 Å²	58.8	59%	0.588	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	2.4	-176.2	64.1	-21.5	0	0	0	113.7	L155	L155-D157 PolarHBondContact O-N 3.15Å
158	T	97.3	Very high	97.4	Very high	56 Å²	56	57.5 Å²	57.5	34%	0.344	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.4	-169.5	46.3	0	0	0	0	113.5	R142 L155	R142-T158 PolarHBondContact NH1-OG1 3.23Å; R142-T158 PolarHBondContact NH2-O 3.36Å; R142-T158 PolarHBondContact NH2-OG1 2.93Å; R142-T158 VanDerWaalsContact NH2-OG1 3.13Å; L155-T158 PolarHBondContact N-O 2.79Å; L155-T158 PolarHBondContact O-N 3.44Å; L155-T158 VanDerWaalsContact O-O 3.13Å; L155-T158 PolarHBondContact O-OG1 3.02Å
159	E	98.6	Very high	97.3	Very high	135 Å²	135	60.6 Å²	60.6	63%	0.631	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	141.5	174.1	-171.6	-176.4	174.9	0	0	111.6	R142 L161	R142-E159 PolarHBondContact NH2-O 3.43Å; E159-L161 HydrophobicContact CB-CD2 4.4Å; E159-L161 HydrophobicContact CG-CD2 4.29Å; E159-L161 PolarHBondContact O-N 3.42Å
160	V	98.6	Very high	97.2	Very high	7 Å²	7	67.4 Å²	67.4	4%	0.042	34%	0.34	C	S	.	.			trans	-82	106.5	173.5	177.2	0	0	0	0	109.8	I146 L152 E153 L155 R165	I146-V160 HydrophobicContact CB-CG1 4.49Å; I146-V160 HydrophobicContact CD1-CG1 3.83Å; I146-V160 HydrophobicContact CD1-CG2 4.32Å; I146-V160 HydrophobicContact CG1-CG1 3.77Å; I146-V160 HydrophobicContact CG1-CG2 4.08Å; I146-V160 HydrophobicContact CG2-CG1 3.91Å; L152-V160 HydrophobicContact CD2-CG2 4.49Å; L152-V160 HydrophobicContact CG-CG2 4.48Å; E153-V160 PolarHBondContact O-N 2.99Å; L155-V160 HydrophobicContact CB-CG2 4.06Å; V160-R165 HydrophobicContact CG1-CG 3.91Å
161	L	98.4	Very high	97.2	Very high	65 Å²	65	65.9 Å²	65.9	34%	0.34	33%	0.329	S	S	.	.			trans	-85.3	150.4	-176.1	-55.3	176.6	0	0	0	112	E159 K163 E164 R165	E159-L161 HydrophobicContact CB-CD2 4.4Å; E159-L161 HydrophobicContact CG-CD2 4.29Å; E159-L161 PolarHBondContact O-N 3.42Å; L161-K163 HydrophobicContact CB-CG 4.03Å; L161-K163 VanDerWaalsContact CD1-CE 3.46Å; L161-K163 PolarHBondContact O-N 3.12Å; L161-K163 VanDerWaalsContact O-N 3.16Å; L161-E164 HydrophobicContact CB-CG 4.28Å; L161-E164 WeakPolarHBondContact CB-OE2 3.08Å; L161-E164 PolarHBondContact N-OE2 3.12Å; L161-E164 WeakPolarHBondContact O-CB 3.43Å; L161-E164 PolarHBondContact O-N 2.85Å; L161-R165 PolarHBondContact O-N 2.82Å; L161-R165 VanDerWaalsContact O-N 3.13Å
162	E	98.1	Very high	97	Very high	109 Å²	109	64.7 Å²	64.7	51%	0.509	31%	0.31	S	S	.	.	H	α-helix	trans	-59.3	-33	-179.9	-176.1	55.5	-141.2	0	0	112.7	E164 R165 V166 R169	E162-E164 VanDerWaalsContact C-N 3.26Å; E162-E164 PolarHBondContact O-N 3.49Å; E162-R165 WeakPolarHBondContact O-CB 3.31Å; E162-R165 PolarHBondContact O-N 3.08Å; E162-R165 VanDerWaalsContact OE2-CD 3.28Å; E162-R165 WeakPolarHBondContact OE2-CD 3.29Å; E162-V166 HydrophobicContact CG-CG2 4.47Å; E162-V166 WeakPolarHBondContact O-CG2 3.09Å; E162-V166 PolarHBondContact O-N 2.96Å; E162-R169 IonicContact OE1-CZ 3.71Å; E162-R169 IonicContact OE1-NH1 3.93Å; E162-R169 PolarHBondContact OE1-NH1 2.98Å; E162-R169 IonicContact OE1-NH2 2.74Å; E162-R169 PolarHBondContact OE1-NH2 2.71Å
163	K	98	Very high	95.8	Very high	149 Å²	149	73.7 Å²	73.7	65%	0.648	34%	0.344	S	S	*	.	H	α-helix	trans	-58.6	-39.1	174.4	67.3	-178.4	-179.9	-177.2	0	112.1	L161 V166 Q167	L161-K163 HydrophobicContact CB-CG 4.03Å; L161-K163 VanDerWaalsContact CD1-CE 3.46Å; L161-K163 PolarHBondContact O-N 3.12Å; L161-K163 VanDerWaalsContact O-N 3.16Å; K163-V166 PolarHBondContact O-N 3.07Å; K163-Q167 WeakPolarHBondContact O-CB 3.44Å; K163-Q167 PolarHBondContact O-N 3.32Å
164	E	98.2	Very high	93.5	Very high	28 Å²	28	75.7 Å²	75.7	13%	0.131	36%	0.357	C	S	.	.	H	α-helix	trans	-71.8	-39.3	178.6	-57.8	177.5	96.3	0	0	110	R142 L143 I146 L161 E162 V166 Q167 A168	R142-E164 WeakPolarHBondContact CD-OE1 3.31Å; R142-E164 IonicContact CZ-OE1 2.8Å; R142-E164 IonicContact NE-OE1 3.69Å; R142-E164 PolarHBondContact NE-OE1 3.31Å; R142-E164 IonicContact NE-OE2 2.85Å; R142-E164 IonicContact NH2-OE1 3.24Å; R142-E164 IonicContact NH2-OE2 2.71Å; L143-E164 HydrophobicContact CD2-CB 4.17Å; L143-E164 WeakPolarHBondContact CD2-O 3.22Å; I146-E164 HydrophobicContact CD1-CB 3.86Å; L161-E164 HydrophobicContact CB-CG 4.28Å; L161-E164 WeakPolarHBondContact CB-OE2 3.08Å; L161-E164 PolarHBondContact N-OE2 3.12Å; L161-E164 WeakPolarHBondContact O-CB 3.43Å; L161-E164 PolarHBondContact O-N 2.85Å; E162-E164 VanDerWaalsContact C-N 3.26Å; E162-E164 PolarHBondContact O-N 3.49Å; E164-V166 PolarHBondContact O-N 2.94Å; E164-Q167 PolarHBondContact O-N 3.04Å; E164-A168 WeakPolarHBondContact O-CB 3.4Å; E164-A168 PolarHBondContact O-N 2.98Å
165	R	97.9	Very high	91.3	Very high	42 Å²	42	79.1 Å²	79.1	16%	0.158	37%	0.371	C	S	.	.	H	α-helix	trans	-60.8	-44.7	174	-60.2	-179.7	-177.9	-79.3	5.1	111.8	I146 P150 L152 V160 L161 E162 Q167 R169	I146-R165 HydrophobicContact CG2-CB 4.39Å; I146-R165 HydrophobicContact CG2-CG 3.9Å; P150-R165 PolarHBondContact O-NH1 3.31Å; L152-R165 PolarHBondContact O-NH2 2.88Å; V160-R165 HydrophobicContact CG1-CG 3.91Å; L161-R165 PolarHBondContact O-N 2.82Å; L161-R165 VanDerWaalsContact O-N 3.13Å; E162-R165 WeakPolarHBondContact O-CB 3.31Å; E162-R165 PolarHBondContact O-N 3.08Å; E162-R165 VanDerWaalsContact OE2-CD 3.28Å; E162-R165 WeakPolarHBondContact OE2-CD 3.29Å; R165-Q167 VanDerWaalsContact C-N 3.31Å; R165-Q167 PolarHBondContact O-N 3.34Å; R165-R169 WeakPolarHBondContact O-CB 3.38Å; R165-R169 VanDerWaalsContact O-CG 3.26Å; R165-R169 WeakPolarHBondContact O-CG 3.05Å; R165-R169 PolarHBondContact O-N 2.8Å
166	V	96.9	Very high	88.9	Confident	52 Å²	52	85.5 Å²	85.5	32%	0.315	40%	0.401	S	S	.	.	H	α-helix	trans	-59.1	-45.2	174.7	172.6	0	0	0	0	110.5	E162 K163 E164 K170	E162-V166 HydrophobicContact CG-CG2 4.47Å; E162-V166 WeakPolarHBondContact O-CG2 3.09Å; E162-V166 PolarHBondContact O-N 2.96Å; K163-V166 PolarHBondContact O-N 3.07Å; E164-V166 PolarHBondContact O-N 2.94Å; V166-K170 HydrophobicContact CG1-CD 4.37Å; V166-K170 WeakPolarHBondContact O-CG 3.32Å; V166-K170 PolarHBondContact O-N 3.2Å; V166-K170 VanDerWaalsContact O-N 3.16Å
167	Q	97.1	Very high	86.3	Confident	94 Å²	94	88.3 Å²	88.3	44%	0.439	42%	0.422	S	S	.	.	H	α-helix	trans	-66.1	-50	-180	-173	175.8	-10.6	0	0	111.9	L143 K163 E164 R165 R169 K170 T171	L143-Q167 HydrophobicContact CD1-CG 3.77Å; L143-Q167 HydrophobicContact CD2-CB 3.98Å; L143-Q167 HydrophobicContact CD2-CG 4.05Å; K163-Q167 WeakPolarHBondContact O-CB 3.44Å; K163-Q167 PolarHBondContact O-N 3.32Å; E164-Q167 PolarHBondContact O-N 3.04Å; R165-Q167 VanDerWaalsContact C-N 3.31Å; R165-Q167 PolarHBondContact O-N 3.34Å; Q167-R169 VanDerWaalsContact C-N 3.3Å; Q167-R169 PolarHBondContact O-N 3.38Å; Q167-K170 WeakPolarHBondContact O-CA 3.2Å; Q167-K170 WeakPolarHBondContact O-CB 3.34Å; Q167-K170 PolarHBondContact O-N 2.98Å; Q167-T171 PolarHBondContact O-N 3.13Å; Q167-T171 PolarHBondContact O-OG1 3.44Å; Q167-T171 VanDerWaalsContact O-OG1 3.12Å
168	A	97.1	Very high	83.9	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-55.1	-44.5	177	0	0	0	0	0	111.7	L143 I146 E164 K170 T171 Y172	L143-A168 HydrophobicContact CB-CB 4.16Å; L143-A168 HydrophobicContact CD2-CB 4.05Å; L143-A168 VanDerWaalsContact O-CB 3.22Å; L143-A168 WeakPolarHBondContact O-CB 3.37Å; I146-A168 HydrophobicContact CB-CB 4.13Å; I146-A168 HydrophobicContact CG2-CB 3.87Å; E164-A168 WeakPolarHBondContact O-CB 3.4Å; E164-A168 PolarHBondContact O-N 2.98Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 2.93Å; A168-T171 PolarHBondContact O-N 3.38Å; A168-Y172 WeakPolarHBondContact O-CD2 3.43Å; A168-Y172 PolarHBondContact O-N 3.46Å
169	R	94.7	Very high	81.4	Confident	109 Å²	109	87.7 Å²	87.7	41%	0.411	43%	0.429	S	S	.	.	H	α-helix	trans	-61	-39.7	174.5	-74.7	-174.2	-59.6	-105.3	5	112.1	E162 R165 Q167 R173	E162-R169 IonicContact OE1-CZ 3.71Å; E162-R169 IonicContact OE1-NH1 3.93Å; E162-R169 PolarHBondContact OE1-NH1 2.98Å; E162-R169 IonicContact OE1-NH2 2.74Å; E162-R169 PolarHBondContact OE1-NH2 2.71Å; R165-R169 WeakPolarHBondContact O-CB 3.38Å; R165-R169 VanDerWaalsContact O-CG 3.26Å; R165-R169 WeakPolarHBondContact O-CG 3.05Å; R165-R169 PolarHBondContact O-N 2.8Å; Q167-R169 VanDerWaalsContact C-N 3.3Å; Q167-R169 PolarHBondContact O-N 3.38Å; R169-R173 WeakPolarHBondContact O-CB 3.38Å; R169-R173 WeakPolarHBondContact O-CD 3.13Å; R169-R173 WeakPolarHBondContact O-CG 3.48Å; R169-R173 PolarHBondContact O-N 3.34Å; R169-R173 VanDerWaalsContact O-N 3.12Å
170	K	94.6	Very high	78.7	Confident	152 Å²	152	89.2 Å²	89.2	66%	0.661	43%	0.433	S	S	*	.	H	α-helix	trans	-68.5	-44.9	178	-72.6	173.8	-179.2	179.6	0	111.6	V166 Q167 A168	V166-K170 HydrophobicContact CG1-CD 4.37Å; V166-K170 WeakPolarHBondContact O-CG 3.32Å; V166-K170 PolarHBondContact O-N 3.2Å; V166-K170 VanDerWaalsContact O-N 3.16Å; Q167-K170 WeakPolarHBondContact O-CA 3.2Å; Q167-K170 WeakPolarHBondContact O-CB 3.34Å; Q167-K170 PolarHBondContact O-N 2.98Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 2.93Å
171	T	95.2	Very high	75.9	Confident	65 Å²	65	97.1 Å²	97.1	40%	0.399	47%	0.467	S	S	.	.	H	α-helix	trans	-68.5	-47.9	-176.6	-53.4	0	0	0	0	112.2	Q167 A168	Q167-T171 PolarHBondContact O-N 3.13Å; Q167-T171 PolarHBondContact O-OG1 3.44Å; Q167-T171 VanDerWaalsContact O-OG1 3.12Å; A168-T171 PolarHBondContact O-N 3.38Å
172	Y	92.6	Very high	73.3	Confident	22 Å²	22	102.2 Å²	102.2	9%	0.086	49%	0.486	C	S	.	.	H	α-helix	trans	-103.6	-7.8	-170.8	-56.9	-77.9	0	0	0	115.4	D140 L143 Y144 A168 L174 Q175	D140-Y172 VanDerWaalsContact CG-OH 3.31Å; D140-Y172 PolarHBondContact O-OH 2.94Å; D140-Y172 PolarHBondContact OD1-OH 3.03Å; L143-Y172 VanDerWaalsContact C-CE2 3.41Å; L143-Y172 HydrophobicContact CB-CE2 3.71Å; Y144-Y172 VanDerWaalsContact CA-CE2 3.48Å; Y144-Y172 AromaticContact CD2-CD1 3.99Å; Y144-Y172 HydrophobicContact CD2-CD1 3.99Å; Y144-Y172 AromaticContact CD2-CE1 3.88Å; Y144-Y172 HydrophobicContact CD2-CE1 3.88Å; Y144-Y172 VanDerWaalsContact N-CE2 3.28Å; A168-Y172 WeakPolarHBondContact O-CD2 3.43Å; A168-Y172 PolarHBondContact O-N 3.46Å; Y172-L174 PolarHBondContact O-N 3.45Å; Y172-Q175 PolarHBondContact O-N 3.49Å
173	R	71.6	Confident	70.7	Confident	189 Å²	189	101.8 Å²	101.8	71%	0.713	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-60.9	-28.1	170.6	-94.1	172.9	66	148.2	-6.5	113.1	R169 Q175 Q176	R169-R173 WeakPolarHBondContact O-CB 3.38Å; R169-R173 WeakPolarHBondContact O-CD 3.13Å; R169-R173 WeakPolarHBondContact O-CG 3.48Å; R169-R173 PolarHBondContact O-N 3.34Å; R169-R173 VanDerWaalsContact O-N 3.12Å; R173-Q175 PolarHBondContact O-N 3.32Å; R173-Q176 PolarHBondContact O-N 3.21Å
174	L	52.4	Low	68.2	Low	131 Å²	131	102.7 Å²	102.7	69%	0.686	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-66.1	-14.7	-177.2	-71.9	168	0	0	0	113.1	Y172	Y172-L174 PolarHBondContact O-N 3.45Å
175	Q	51.8	Low	65.5	Low	133 Å²	133	104.9 Å²	104.9	62%	0.621	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-87	-13.2	178.7	-65.9	-173.5	-2.6	0	0	114.3	Y172 R173	Y172-Q175 PolarHBondContact O-N 3.49Å; R173-Q175 PolarHBondContact O-N 3.32Å
176	Q	47.5	Very low	63.1	Low	133 Å²	133	105.7 Å²	105.7	62%	0.621	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-14.2	179.8	-65.8	-170.8	12.8	0	0	114.4	R173 S179	R173-Q176 PolarHBondContact O-N 3.21Å; Q176-S179 PolarHBondContact O-OG 2.86Å
177	S	41.7	Very low	60.8	Low	73 Å²	73	112.2 Å²	112.2	51%	0.51	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-19	180	62.5	0	0	0	0	113.9
178	S	42.6	Very low	58.3	Low	76 Å²	76	116 Å²	116	53%	0.531	56%	0.556	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.6	-30.1	-178.3	57.2	0	0	0	0	113.2
179	S	44.8	Very low	55.7	Low	78 Å²	78	122.9 Å²	122.9	55%	0.545	59%	0.588	S	S	.	*	H	α-helix	trans	-75.4	-32.9	177.3	48	0	0	0	0	113.2	Q176 K181	Q176-S179 PolarHBondContact O-OG 2.86Å; S179-K181 PolarHBondContact O-N 3.1Å
180	K	42.4	Very low	53.4	Low	166 Å²	166	122.6 Å²	122.6	72%	0.722	60%	0.598	S	S	*	*	H	α-helix	trans	-73.8	-18.7	175.7	-77.5	-177.7	178.7	174.6	0	114.6
181	K	40.3	Very low	50.9	Low	174 Å²	174	123.7 Å²	123.7	76%	0.757	61%	0.605	S	S	*	*	H	α-helix	trans	-82.1	-31	177.9	-88.5	-174.8	176.6	179.8	0	113.4	S179	S179-K181 PolarHBondContact O-N 3.1Å
182	K	42.9	Very low	48.4	Very low	172 Å²	172	128.4 Å²	128.4	75%	0.748	63%	0.625	S	S	*	*	H	α-helix	trans	-70.6	-28.7	177.3	-94.8	-176.7	173.5	179.5	0	113.4	S185 S186	K182-S185 PolarHBondContact O-OG 3.41Å; K182-S186 PolarHBondContact O-OG 3.35Å
183	D	45	Very low	46.2	Very low	100 Å²	100	135.7 Å²	135.7	54%	0.535	66%	0.66	S	S	.	*	H	α-helix	trans	-84.4	-15.2	-175.6	-137	4.5	0	0	0	114.1	S186	D183-S186 PolarHBondContact O-OG 3.43Å; D183-S186 VanDerWaalsContact O-OG 3.13Å
184	K	44.7	Very low	45.1	Very low	167 Å²	167	137.6 Å²	137.6	73%	0.726	67%	0.667	S	S	*	*	H	α-helix	trans	-87.1	-23.1	173.3	-78	-170.3	177	-176.3	0	113.4
185	S	42.4	Very low	44.9	Very low	74 Å²	74	140.9 Å²	140.9	52%	0.517	68%	0.676	S	S	.	*	H	α-helix	trans	-81.7	-29.9	177.4	72.8	0	0	0	0	112.6	K182 K188	K182-S185 PolarHBondContact O-OG 3.41Å; S185-K188 PolarHBondContact O-N 2.86Å
186	S	47.1	Very low	44.7	Very low	59 Å²	59	140.6 Å²	140.6	41%	0.413	68%	0.683	S	S	.	*	H	α-helix	trans	-69.6	-32	175.6	48.8	0	0	0	0	113.2	K182 D183 T190	K182-S186 PolarHBondContact O-OG 3.35Å; D183-S186 PolarHBondContact O-OG 3.43Å; D183-S186 VanDerWaalsContact O-OG 3.13Å; S186-T190 PolarHBondContact O-OG1 2.86Å
187	R	47.7	Very low	44.3	Very low	189 Å²	189	141.5 Å²	141.5	71%	0.713	69%	0.692	S	S	*	*	H	α-helix	trans	-77.2	-19.4	176.6	-75.5	-176.5	178.8	175.8	1.7	114.8
188	K	45.3	Very low	44.5	Very low	174 Å²	174	144.8 Å²	144.8	76%	0.757	71%	0.709	S	S	*	*	H	α-helix	trans	-82.6	-26.2	177.3	-79.4	-171.3	173.7	-172.8	0	113.4	S185	S185-K188 PolarHBondContact O-N 2.86Å
189	H	42.8	Very low	44.4	Very low	145 Å²	145	149 Å²	149	67%	0.671	72%	0.723	S	S	*	*	H	α-helix	trans	-81.3	-21.2	-179.8	-96.4	-69	0	0	0	114.7
190	T	45.1	Very low	44.3	Very low	103 Å²	103	152 Å²	152	63%	0.632	73%	0.732	S	S	*	*	S	Bend	trans	-85.7	-8.1	-177.6	32.4	0	0	0	0	114.5	S186	S186-T190 PolarHBondContact O-OG1 2.86Å
191	H	43.1	Very low	44.1	Very low	175 Å²	175	156 Å²	156	81%	0.81	74%	0.743	S	S	*	*	S	Bend	trans	-102.5	-4.5	-179	-133.2	32.5	0	0	0	115.1
192	M	43.7	Very low	44.5	Very low	164 Å²	164	160.1 Å²	160.1	81%	0.808	77%	0.765	S	S	*	*	S	Bend	trans	-103.2	2.4	-177.4	-146.8	163.9	73.5	0	0	114.4
193	Q	46.2	Very low	44.6	Very low	174 Å²	174	159.5 Å²	159.5	81%	0.813	77%	0.765	S	S	*	*	S	Bend	trans	-112.7	8.4	-176.7	-82.2	179	-17.9	0	0	115.2
194	R	47.5	Very low	44.6	Very low	230 Å²	230	162.6 Å²	162.6	87%	0.868	78%	0.777	S	S	*	*	S	Bend	trans	-108.5	16.3	-178.4	-82.7	-171.8	174.6	174.8	-0.8	116.1
195	K	48.1	Very low	44.6	Very low	200 Å²	200	162.4 Å²	162.4	87%	0.87	78%	0.78	S	S	*	*	S	Bend	trans	-134.6	62	175.2	-77.3	-169.1	175.2	-176.3	0	113.3
196	V	47.2	Very low	44.7	Very low	127 Å²	127	167.6 Å²	167.6	77%	0.77	80%	0.796	S	S	*	*			trans	-158.5	109.2	146.4	-173.1	0	0	0	0	107.3
197	N	40.6	Very low	44.6	Very low	152 Å²	152	174.4 Å²	174.4	81%	0.813	82%	0.82	S	S	*	*			trans	164.4	80.8	145.4	-85.6	-11.8	0	0	0	110.4
198	T	44.9	Very low	44.4	Very low	141 Å²	141	173.4 Å²	173.4	87%	0.865	83%	0.827	S	S	*	*			trans	-152.8	72.8	157.5	-39.5	0	0	0	0	110.7
199	I	41.3	Very low	44.3	Very low	164 Å²	164	173.4 Å²	173.4	84%	0.841	83%	0.832	S	S	*	*			trans	-156.7	130.9	156.2	-28	174.8	0	0	0	102.9
200	I	41.1	Very low	44.4	Very low	142 Å²	142	175.5 Å²	175.5	73%	0.728	84%	0.844	S	S	*	*			cis	-163	141.7	37.4	-66.5	161.1	0	0	0	105.7
201	R	38.3	Very low	44.4	Very low	251 Å²	251	181.6 Å²	181.6	95%	0.947	86%	0.862	S	S	*	*			trans	-147.8	113.4	138.2	-76.5	-157.8	175.9	179.2	-2.4	109
202	Q	50.5	Low	44.5	Very low	259 Å²	259	182.2 Å²	182.2	100%	1.21	87%	0.867	S	S	*	*			trans	-75.2	0	152.5	-72.4	178.6	-13.7	0	0	108.6

Retrieved 202 of 202 residues in 144.5 ms (Link to these results)

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