A0A077Z5F6_TRITR Loading...

GDPD domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5F6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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	30.2	Very low	33.1	Very low	228 Å²	228	123.5 Å²	123.5	100%	1.123	64%	0.643	S	S	*	*				0	99.3	0	-73.4	175.8	175.7	0	0	106.5	H3	M1-H3 PolarHBondContact O-N 3.15Å; M1-H3 VanDerWaalsContact O-N 3.15Å
2	A	27	Very low	35	Very low	104 Å²	104	117.1 Å²	117.1	86%	0.86	61%	0.612	S	S	*	*			trans	-71.9	105.6	173.8	0	0	0	0	0	106.4	H4	A2-H4 PolarHBondContact O-N 2.96Å
3	H	27	Very low	37.6	Very low	168 Å²	168	110.2 Å²	110.2	78%	0.778	58%	0.576	S	S	*	*			trans	-64.6	103.9	166.6	-74.7	-80.3	0	0	0	106.2	M1 R5	M1-H3 PolarHBondContact O-N 3.15Å; M1-H3 VanDerWaalsContact O-N 3.15Å; H3-R5 PolarHBondContact O-N 3.03Å
4	H	25.6	Very low	40.1	Very low	187 Å²	187	107.6 Å²	107.6	87%	0.866	56%	0.555	S	S	*	*			trans	-54.7	106.2	163.2	-109.6	-58.1	0	0	0	106.2	A2	A2-H4 PolarHBondContact O-N 2.96Å
5	R	25.8	Very low	42.3	Very low	192 Å²	192	100.7 Å²	100.7	73%	0.725	52%	0.52	S	S	*	.			trans	-76.5	133.4	167.5	-71.9	-174.2	178.7	-164	-1.6	106.3	H3 D7	H3-R5 PolarHBondContact O-N 3.03Å; R5-D7 PolarHBondContact O-N 3.08Å
6	P	27.9	Very low	44.2	Very low	79 Å²	79	98.8 Å²	98.8	51%	0.513	51%	0.508	S	S	.	.			trans	-61.1	129.6	177.2	23.1	-30.3	0	0	0	109.2	F8	P6-F8 HydrophobicContact CG-CE2 3.99Å; P6-F8 HydrophobicContact CG-CZ 4.09Å; P6-F8 VanDerWaalsContact O-CD2 3.27Å; P6-F8 WeakPolarHBondContact O-CD2 3.08Å; P6-F8 PolarHBondContact O-N 3.12Å; P6-F8 VanDerWaalsContact O-N 3.11Å
7	D	28.5	Very low	45.8	Very low	156 Å²	156	93.5 Å²	93.5	83%	0.834	48%	0.48	S	S	*	.			trans	-70	101.4	174.1	-72.6	-35.7	0	0	0	107.4	R5 P9	R5-D7 PolarHBondContact O-N 3.08Å; D7-P9 WeakPolarHBondContact O-CD 3.37Å
8	F	33	Very low	46.4	Very low	88 Å²	88	93.9 Å²	93.9	39%	0.386	48%	0.478	S	S	.	.			trans	-69.9	120.8	179	-74	-84.9	0	0	0	109.4	P6 T10 L133	P6-F8 HydrophobicContact CG-CE2 3.99Å; P6-F8 HydrophobicContact CG-CZ 4.09Å; P6-F8 VanDerWaalsContact O-CD2 3.27Å; P6-F8 WeakPolarHBondContact O-CD2 3.08Å; P6-F8 PolarHBondContact O-N 3.12Å; P6-F8 VanDerWaalsContact O-N 3.11Å; F8-T10 PolarHBondContact O-N 3Å; F8-L133 HydrophobicContact CE1-CD2 4.41Å; F8-L133 HydrophobicContact CE2-CD2 4.11Å; F8-L133 HydrophobicContact CZ-CD2 3.57Å; F8-L133 HydrophobicContact CZ-CG 4.38Å
9	P	36.3	Very low	46.6	Very low	64 Å²	64	93.5 Å²	93.5	42%	0.416	48%	0.481	S	S	.	.	S	Bend	trans	-82.4	14.3	-175.3	32.2	-33.6	0	0	0	113.8	D7	D7-P9 WeakPolarHBondContact O-CD 3.37Å
10	T	47.3	Very low	46.6	Very low	19 Å²	19	91.6 Å²	91.6	12%	0.117	47%	0.474	C	S	.	.	S	Bend	trans	-120.9	138	-179.5	52.2	0	0	0	0	108.7	F8 V12	F8-T10 PolarHBondContact O-N 3Å; T10-V12 VanDerWaalsContact O-CG2 3.27Å; T10-V12 WeakPolarHBondContact O-CG2 3.49Å; T10-V12 PolarHBondContact O-N 3.41Å; T10-V12 VanDerWaalsContact O-N 3.1Å
11	T	55	Low	46.4	Very low	74 Å²	74	89.1 Å²	89.1	45%	0.454	46%	0.462	S	S	.	.			trans	-51.9	118.3	169.5	25.8	0	0	0	0	108
12	V	56.9	Low	46.7	Very low	46 Å²	46	85.9 Å²	85.9	28%	0.279	45%	0.449	S	S	.	.			trans	-133.5	106.6	-174.4	165.2	0	0	0	0	104.9	T10 V32 E33 F34	T10-V12 VanDerWaalsContact O-CG2 3.27Å; T10-V12 WeakPolarHBondContact O-CG2 3.49Å; T10-V12 PolarHBondContact O-N 3.41Å; T10-V12 VanDerWaalsContact O-N 3.1Å; V12-V32 HydrophobicContact CB-CG2 4.41Å; V12-V32 HydrophobicContact CG1-CB 4.44Å; V12-V32 HydrophobicContact CG1-CG2 2.96Å; V12-E33 WeakPolarHBondContact CA-O 3.49Å; V12-F34 HydrophobicContact CG2-CB 4.35Å
13	D	67.8	Low	47.6	Very low	27 Å²	27	83.3 Å²	83.3	14%	0.144	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	152.6	-174.3	-64	-12.4	0	0	0	110.4	E33 I290 D292	D13-E33 HydrophobicContact CB-CB 4.1Å; D13-E33 PolarHBondContact N-O 3.04Å; D13-E33 VanDerWaalsContact N-O 3.15Å; D13-E33 PolarHBondContact O-N 2.85Å; D13-I290 HydrophobicContact CB-CG2 3.82Å; D13-D292 WeakPolarHBondContact OD1-CA 3.27Å; D13-D292 VanDerWaalsContact OD1-CG 3.22Å; D13-D292 VanDerWaalsContact OD1-OD1 3.13Å
14	R	72.8	Confident	48	Very low	75 Å²	75	78.9 Å²	78.9	28%	0.283	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	145.1	169.7	-78.7	-167.6	179.7	-123.4	1.9	110	E30 I290 Y291 Q293	R14-E30 IonicContact NH1-OE2 2.9Å; R14-I290 WeakPolarHBondContact O-CA 3.3Å; R14-Y291 HydrophobicContact CB-CE1 4.48Å; R14-Y291 PolarHBondContact N-O 3.08Å; R14-Y291 PolarHBondContact O-N 3.29Å; R14-Q293 HydrophobicContact CG-CG 4.42Å; R14-Q293 VanDerWaalsContact NE-CD 3.34Å
15	I	73.6	Confident	48.5	Very low	4 Å²	4	75.1 Å²	75.1	2%	0.021	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	120.7	167.9	-49.9	-172.9	0	0	0	109.9	F17 F31 E33 N140 F266 V289 I290	I15-F17 HydrophobicContact CB-CE2 4.43Å; I15-F17 HydrophobicContact CB-CZ 4.45Å; I15-F17 HydrophobicContact CG2-CD2 4.49Å; I15-F17 HydrophobicContact CG2-CE1 4.01Å; I15-F17 HydrophobicContact CG2-CE2 3.91Å; I15-F17 HydrophobicContact CG2-CZ 3.67Å; I15-F31 HydrophobicContact CB-CB 3.76Å; I15-F31 HydrophobicContact CD1-CB 4.36Å; I15-F31 HydrophobicContact CG1-CB 4.27Å; I15-F31 PolarHBondContact N-O 2.91Å; I15-E33 HydrophobicContact CD1-CB 3.97Å; I15-E33 HydrophobicContact CD1-CG 4.4Å; I15-E33 HydrophobicContact CG1-CB 3.98Å; I15-N140 HydrophobicContact CD1-CB 3.3Å; I15-N140 VanDerWaalsContact CD1-ND2 3.33Å; I15-N140 WeakPolarHBondContact CD1-ND2 3.45Å; I15-F266 HydrophobicContact CG2-CD1 4.22Å; I15-F266 HydrophobicContact CG2-CE1 3.86Å; I15-V289 WeakPolarHBondContact CA-O 3.18Å; I15-I290 HydrophobicContact CD1-CD1 4.18Å; I15-I290 HydrophobicContact CD1-CG1 4.03Å; I15-I290 HydrophobicContact CG1-CB 4.42Å; I15-I290 HydrophobicContact CG1-CG1 3.97Å; I15-I290 HydrophobicContact CG1-CG2 4.2Å; I15-I290 HydrophobicContact CG2-CG1 4.43Å
16	E	71.9	Confident	48.8	Very low	70 Å²	70	78.3 Å²	78.3	33%	0.327	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	125.2	171.4	-72.9	-170.3	158.1	0	0	110.9	R282 G288 V289 Y291	E16-R282 IonicContact OE2-CZ 2.67Å; E16-R282 IonicContact OE2-NH2 3.67Å; E16-R282 PolarHBondContact OE2-NH2 2.87Å; E16-G288 CarbonylContact O-C 3.58Å; E16-G288 VanDerWaalsContact O-CA 3.32Å; E16-G288 WeakPolarHBondContact O-CA 3.5Å; E16-V289 PolarHBondContact N-O 3.08Å; E16-V289 PolarHBondContact O-N 3.08Å; E16-Y291 HydrophobicContact CB-CE1 4.28Å; E16-Y291 HydrophobicContact CG-CE1 3.83Å; E16-Y291 WeakPolarHBondContact CG-OH 3.27Å; E16-Y291 PolarHBondContact OE1-OH 3.09Å
17	F	72	Confident	49.3	Very low	8 Å²	8	76.4 Å²	76.4	4%	0.035	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	142	175.9	-58.4	-85.7	0	0	0	112.3	I15 T19 L21 A29 F31 I183 F266 D287	I15-F17 HydrophobicContact CB-CE2 4.43Å; I15-F17 HydrophobicContact CB-CZ 4.45Å; I15-F17 HydrophobicContact CG2-CD2 4.49Å; I15-F17 HydrophobicContact CG2-CE1 4.01Å; I15-F17 HydrophobicContact CG2-CE2 3.91Å; I15-F17 HydrophobicContact CG2-CZ 3.67Å; F17-T19 VanDerWaalsContact C-N 3.34Å; F17-T19 VanDerWaalsContact CB-O 3.3Å; F17-T19 WeakPolarHBondContact CB-O 3.38Å; F17-T19 PolarHBondContact O-N 2.67Å; F17-L21 HydrophobicContact CD1-CD1 3.33Å; F17-L21 HydrophobicContact CD1-CG 3.98Å; F17-L21 HydrophobicContact CE1-CD1 3.21Å; F17-L21 HydrophobicContact CE1-CG 4.3Å; F17-L21 HydrophobicContact CG-CD1 4.39Å; F17-L21 HydrophobicContact CZ-CD1 4.21Å; F17-A29 VanDerWaalsContact CD2-O 3.3Å; F17-A29 WeakPolarHBondContact CD2-O 3.3Å; F17-A29 WeakPolarHBondContact CE2-O 3.45Å; F17-F31 HydrophobicContact CD2-CD2 4.31Å; F17-F31 HydrophobicContact CE2-CB 3.77Å; F17-F31 HydrophobicContact CE2-CD1 4.43Å; F17-F31 AromaticContact CE2-CD2 3.23Å; F17-F31 HydrophobicContact CE2-CD2 3.23Å; F17-F31 AromaticContact CE2-CE2 3.77Å; F17-F31 HydrophobicContact CE2-CE2 3.77Å; F17-F31 AromaticContact CE2-CG 3.58Å; F17-F31 HydrophobicContact CE2-CG 3.58Å; F17-F31 HydrophobicContact CZ-CB 4.13Å; F17-F31 HydrophobicContact CZ-CD1 4.15Å; F17-F31 AromaticContact CZ-CD2 3.67Å; F17-F31 HydrophobicContact CZ-CD2 3.67Å; F17-F31 HydrophobicContact CZ-CE1 4.44Å; F17-F31 AromaticContact CZ-CE2 3.93Å; F17-F31 HydrophobicContact CZ-CE2 3.93Å; F17-F31 AromaticContact CZ-CG 3.75Å; F17-F31 HydrophobicContact CZ-CG 3.75Å; F17-F31 HydrophobicContact CZ-CZ 4.31Å; F17-I183 HydrophobicContact CE1-CD1 4.19Å; F17-I183 HydrophobicContact CZ-CD1 4.04Å; F17-F266 HydrophobicContact CD1-CE1 4.4Å; F17-F266 HydrophobicContact CD1-CZ 4.25Å; F17-F266 AromaticContact CE1-CE1 3.62Å; F17-F266 HydrophobicContact CE1-CE1 3.62Å; F17-F266 AromaticContact CE1-CZ 3.52Å; F17-F266 HydrophobicContact CE1-CZ 3.52Å; F17-F266 HydrophobicContact CZ-CE1 4.28Å; F17-F266 HydrophobicContact CZ-CZ 4.44Å; F17-D287 CarbonylContact C-O 3.58Å; F17-D287 VanDerWaalsContact CA-O 3.25Å; F17-D287 WeakPolarHBondContact CA-O 3.41Å
18	K	57.3	Low	50	Low	102 Å²	102	75.3 Å²	75.3	44%	0.443	40%	0.4	S	S	.	.	S	Bend	trans	-66.4	-35.2	177.1	176.8	178.3	171.5	-169.6	0	113.3	F286 D287	K18-F286 VanDerWaalsContact CB-O 3.27Å; K18-F286 WeakPolarHBondContact CB-O 3.46Å; K18-F286 VanDerWaalsContact CD-O 3.26Å; K18-F286 WeakPolarHBondContact CD-O 3.46Å; K18-D287 PolarHBondContact N-O 3.01Å
19	T	50.4	Low	51	Low	86 Å²	86	72.7 Å²	72.7	53%	0.528	40%	0.395	S	S	.	.	S	Bend	trans	-138.7	154.5	172.2	36.4	0	0	0	0	106.8	F17 L21	F17-T19 VanDerWaalsContact C-N 3.34Å; F17-T19 VanDerWaalsContact CB-O 3.3Å; F17-T19 WeakPolarHBondContact CB-O 3.38Å; F17-T19 PolarHBondContact O-N 2.67Å; T19-L21 PolarHBondContact O-N 3.35Å
20	P	44.8	Very low	53.2	Low	54 Å²	54	75.5 Å²	75.5	35%	0.351	40%	0.402	S	S	.	.			trans	-49.5	108.2	164.8	-21.7	32.1	0	0	0	107.1	N22 G27 M28	P20-N22 PolarHBondContact O-N 3.49Å; P20-N22 VanDerWaalsContact O-N 3.11Å; P20-G27 WeakPolarHBondContact CB-O 3.47Å; P20-M28 HydrophobicContact CG-CG 4.29Å
21	L	42.8	Very low	55.3	Low	41 Å²	41	74.9 Å²	74.9	22%	0.215	40%	0.398	C	S	.	.			trans	-52.4	127.5	165.6	-92.4	164.6	0	0	0	103.8	F17 T19 I23 T264 F266	F17-L21 HydrophobicContact CD1-CD1 3.33Å; F17-L21 HydrophobicContact CD1-CG 3.98Å; F17-L21 HydrophobicContact CE1-CD1 3.21Å; F17-L21 HydrophobicContact CE1-CG 4.3Å; F17-L21 HydrophobicContact CG-CD1 4.39Å; F17-L21 HydrophobicContact CZ-CD1 4.21Å; T19-L21 PolarHBondContact O-N 3.35Å; L21-I23 HydrophobicContact CB-CD1 3.62Å; L21-I23 HydrophobicContact CB-CG1 3.85Å; L21-I23 HydrophobicContact CD1-CD1 3.83Å; L21-I23 HydrophobicContact CG-CD1 4.29Å; L21-I23 PolarHBondContact O-N 2.93Å; L21-T264 HydrophobicContact CD2-CG2 4.42Å; L21-F266 HydrophobicContact CD1-CZ 4.19Å
22	N	36.9	Very low	57.1	Low	159 Å²	159	72 Å²	72	85%	0.85	38%	0.381	S	S	*	.			trans	-68.7	45.4	176.4	-97.6	-29.2	0	0	0	110.4	P20 G24	P20-N22 PolarHBondContact O-N 3.49Å; P20-N22 VanDerWaalsContact O-N 3.11Å; N22-G24 PolarHBondContact O-N 3.11Å
23	I	45.7	Very low	58.8	Low	51 Å²	51	70.1 Å²	70.1	26%	0.262	37%	0.369	S	S	.	.	S	Bend	trans	-74.5	64.8	163.7	-58	159.2	0	0	0	105.9	L21 H25 F31 I183	L21-I23 HydrophobicContact CB-CD1 3.62Å; L21-I23 HydrophobicContact CB-CG1 3.85Å; L21-I23 HydrophobicContact CD1-CD1 3.83Å; L21-I23 HydrophobicContact CG-CD1 4.29Å; L21-I23 PolarHBondContact O-N 2.93Å; I23-H25 PolarHBondContact O-N 2.78Å; I23-F31 HydrophobicContact CD1-CZ 4.47Å; I23-I183 HydrophobicContact CD1-CD1 4.32Å; I23-I183 HydrophobicContact CD1-CG1 4.48Å
24	G	36.8	Very low	60.1	Low	74 Å²	74	68.9 Å²	68.9	76%	0.763	36%	0.362	S	S	*	.	S	Bend	trans	60.3	-9.2	169.5	0	0	0	0	0	119.1	N22	N22-G24 PolarHBondContact O-N 3.11Å
25	H	34.9	Very low	61.2	Low	108 Å²	108	65.6 Å²	65.6	50%	0.5	35%	0.35	S	S	.	.			trans	-128.8	123.1	-169.1	-73.1	82	0	0	0	112.3	I23 G27	I23-H25 PolarHBondContact O-N 2.78Å; H25-G27 PolarHBondContact O-N 2.59Å; H25-G27 VanDerWaalsContact O-N 3.12Å
26	R	32.1	Very low	62.3	Low	260 Å²	260	65.4 Å²	65.4	98%	0.981	35%	0.349	S	S	*	.	S	Bend	trans	-72.3	96.9	178.5	-71.9	179	175.6	-175.4	-1.3	110.3
27	G	38.6	Very low	63.4	Low	39 Å²	39	62.2 Å²	62.2	40%	0.402	33%	0.334	S	S	.	.	S	Bend	trans	160.6	148.4	171.1	0	0	0	0	0	109.5	P20 H25 A29	P20-G27 WeakPolarHBondContact CB-O 3.47Å; H25-G27 PolarHBondContact O-N 2.59Å; H25-G27 VanDerWaalsContact O-N 3.12Å; G27-A29 VanDerWaalsContact C-N 3.29Å; G27-A29 PolarHBondContact O-N 2.98Å
28	M	42.3	Very low	64.6	Low	133 Å²	133	61.9 Å²	61.9	66%	0.655	33%	0.333	S	S	*	.			trans	-58.8	99.7	168.6	-68.5	172.8	79.9	0	0	106.4	P20 E30	P20-M28 HydrophobicContact CG-CG 4.29Å; M28-E30 PolarHBondContact O-N 2.81Å; M28-E30 VanDerWaalsContact O-N 3.08Å
29	A	54.4	Low	66.4	Low	33 Å²	33	57 Å²	57	27%	0.273	31%	0.312	S	S	.	.			trans	-68.3	111.8	177.3	0	0	0	0	0	106.1	F17 G27 F31	F17-A29 VanDerWaalsContact CD2-O 3.3Å; F17-A29 WeakPolarHBondContact CD2-O 3.3Å; F17-A29 WeakPolarHBondContact CE2-O 3.45Å; G27-A29 VanDerWaalsContact C-N 3.29Å; G27-A29 PolarHBondContact O-N 2.98Å; A29-F31 HydrophobicContact CB-CD2 3.79Å; A29-F31 HydrophobicContact CB-CE2 3.52Å; A29-F31 WeakPolarHBondContact O-CD2 3.27Å; A29-F31 PolarHBondContact O-N 2.68Å
30	E	82.5	Confident	68.5	Low	122 Å²	122	58.9 Å²	58.9	57%	0.57	31%	0.313	S	S	*	.			trans	-62.6	126.8	165.5	-68.2	-172.7	167.9	0	0	106.4	R14 M28 L137 G138	R14-E30 IonicContact NH1-OE2 2.9Å; M28-E30 PolarHBondContact O-N 2.81Å; M28-E30 VanDerWaalsContact O-N 3.08Å; E30-L137 HydrophobicContact CB-CD1 3.87Å; E30-L137 WeakPolarHBondContact O-CD1 3.33Å; E30-G138 PolarHBondContact O-N 2.72Å
31	F	91.7	Very high	71	Confident	6 Å²	6	59.6 Å²	59.6	3%	0.026	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.6	174.7	-90.8	-120.8	0	0	0	109.5	I15 F17 I23 A29 G138 F139 I183	I15-F31 HydrophobicContact CB-CB 3.76Å; I15-F31 HydrophobicContact CD1-CB 4.36Å; I15-F31 HydrophobicContact CG1-CB 4.27Å; I15-F31 PolarHBondContact N-O 2.91Å; F17-F31 HydrophobicContact CD2-CD2 4.31Å; F17-F31 HydrophobicContact CE2-CB 3.77Å; F17-F31 HydrophobicContact CE2-CD1 4.43Å; F17-F31 AromaticContact CE2-CD2 3.23Å; F17-F31 HydrophobicContact CE2-CD2 3.23Å; F17-F31 AromaticContact CE2-CE2 3.77Å; F17-F31 HydrophobicContact CE2-CE2 3.77Å; F17-F31 AromaticContact CE2-CG 3.58Å; F17-F31 HydrophobicContact CE2-CG 3.58Å; F17-F31 HydrophobicContact CZ-CB 4.13Å; F17-F31 HydrophobicContact CZ-CD1 4.15Å; F17-F31 AromaticContact CZ-CD2 3.67Å; F17-F31 HydrophobicContact CZ-CD2 3.67Å; F17-F31 HydrophobicContact CZ-CE1 4.44Å; F17-F31 AromaticContact CZ-CE2 3.93Å; F17-F31 HydrophobicContact CZ-CE2 3.93Å; F17-F31 AromaticContact CZ-CG 3.75Å; F17-F31 HydrophobicContact CZ-CG 3.75Å; F17-F31 HydrophobicContact CZ-CZ 4.31Å; I23-F31 HydrophobicContact CD1-CZ 4.47Å; A29-F31 HydrophobicContact CB-CD2 3.79Å; A29-F31 HydrophobicContact CB-CE2 3.52Å; A29-F31 WeakPolarHBondContact O-CD2 3.27Å; A29-F31 PolarHBondContact O-N 2.68Å; F31-G138 CarbonylContact C-O 3.57Å; F31-G138 VanDerWaalsContact CA-O 3.22Å; F31-G138 WeakPolarHBondContact CA-O 3.32Å; F31-G138 VanDerWaalsContact CD1-C 3.43Å; F31-F139 VanDerWaalsContact CD1-C 3.48Å; F31-F139 WeakPolarHBondContact CE1-O 3.43Å; F31-I183 HydrophobicContact CD1-CD1 4.22Å; F31-I183 HydrophobicContact CE1-CB 4.32Å; F31-I183 HydrophobicContact CE1-CD1 3.64Å; F31-I183 HydrophobicContact CE1-CG1 3.73Å; F31-I183 HydrophobicContact CZ-CD1 4.01Å; F31-I183 HydrophobicContact CZ-CG1 4.21Å
32	V	92.6	Very high	73.5	Confident	14 Å²	14	60.4 Å²	60.4	9%	0.085	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.6	167.6	65	0	0	0	0	108.3	V12 F34 L133 L137 G138 F139 N140	V12-V32 HydrophobicContact CB-CG2 4.41Å; V12-V32 HydrophobicContact CG1-CB 4.44Å; V12-V32 HydrophobicContact CG1-CG2 2.96Å; V32-F34 HydrophobicContact CG1-CD1 4.22Å; V32-F34 HydrophobicContact CG1-CE1 4.12Å; V32-F34 HydrophobicContact CG2-CD1 4.41Å; V32-L133 HydrophobicContact CG1-CD1 4.26Å; V32-L137 HydrophobicContact CB-CD2 4.05Å; V32-L137 HydrophobicContact CB-CG 4.4Å; V32-L137 HydrophobicContact CG1-CD2 3.61Å; V32-L137 HydrophobicContact CG1-CG 3.97Å; V32-G138 PolarHBondContact N-O 2.97Å; V32-F139 HydrophobicContact CG1-CD1 3.46Å; V32-F139 VanDerWaalsContact CG1-CD1 3.46Å; V32-F139 HydrophobicContact CG1-CE1 3.7Å; V32-F139 HydrophobicContact CG1-CG 4.49Å; V32-F139 CarbonylContact O-C 3.58Å; V32-F139 WeakPolarHBondContact O-CA 3.49Å; V32-N140 PolarHBondContact O-N 3.35Å
33	E	93.3	Very high	76.4	Confident	6 Å²	6	55.4 Å²	55.4	3%	0.028	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.8	174	-171.8	-68.3	130.7	0	0	108.5	V12 D13 I15 N140 E142 I290	V12-E33 WeakPolarHBondContact CA-O 3.49Å; D13-E33 HydrophobicContact CB-CB 4.1Å; D13-E33 PolarHBondContact N-O 3.04Å; D13-E33 VanDerWaalsContact N-O 3.15Å; D13-E33 PolarHBondContact O-N 2.85Å; I15-E33 HydrophobicContact CD1-CB 3.97Å; I15-E33 HydrophobicContact CD1-CG 4.4Å; I15-E33 HydrophobicContact CG1-CB 3.98Å; E33-N140 WeakPolarHBondContact CA-O 3.25Å; E33-N140 HydrophobicContact CB-CB 4.09Å; E33-N140 HydrophobicContact CG-CB 4.04Å; E33-E142 WeakPolarHBondContact OE1-CB 3.46Å; E33-I290 HydrophobicContact CB-CG2 4.21Å; E33-I290 HydrophobicContact CG-CG2 4.1Å
34	F	94.4	Very high	78.9	Confident	2 Å²	2	53.4 Å²	53.4	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	150.9	171.4	54.4	-98.5	0	0	0	111.3	V12 V32 V36 V46 L126 V129 F139 N140 I141 E142	V12-F34 HydrophobicContact CG2-CB 4.35Å; V32-F34 HydrophobicContact CG1-CD1 4.22Å; V32-F34 HydrophobicContact CG1-CE1 4.12Å; V32-F34 HydrophobicContact CG2-CD1 4.41Å; F34-V36 HydrophobicContact CD2-CG2 3.93Å; F34-V36 HydrophobicContact CE2-CG2 3.81Å; F34-V46 HydrophobicContact CB-CG1 3.7Å; F34-V46 HydrophobicContact CD2-CB 4.36Å; F34-V46 HydrophobicContact CD2-CG1 3.87Å; F34-V46 HydrophobicContact CD2-CG2 3.55Å; F34-V46 HydrophobicContact CE2-CG2 3.83Å; F34-V46 HydrophobicContact CG-CG1 4.02Å; F34-V46 HydrophobicContact CG-CG2 4.38Å; F34-L126 HydrophobicContact CE2-CD1 3.67Å; F34-L126 HydrophobicContact CZ-CD1 4.1Å; F34-V129 HydrophobicContact CE1-CG1 3.95Å; F34-V129 HydrophobicContact CE2-CG1 4.48Å; F34-V129 HydrophobicContact CZ-CG1 3.93Å; F34-F139 HydrophobicContact CE1-CB 4.14Å; F34-F139 AromaticContact CE1-CD1 3.92Å; F34-F139 HydrophobicContact CE1-CD1 3.92Å; F34-F139 AromaticContact CE1-CD2 3.78Å; F34-F139 HydrophobicContact CE1-CD2 3.78Å; F34-F139 HydrophobicContact CE1-CE1 4.22Å; F34-F139 HydrophobicContact CE1-CE2 4.07Å; F34-F139 AromaticContact CE1-CG 3.7Å; F34-F139 HydrophobicContact CE1-CG 3.7Å; F34-F139 HydrophobicContact CE1-CZ 4.29Å; F34-F139 HydrophobicContact CZ-CB 4.22Å; F34-F139 HydrophobicContact CZ-CD1 4.48Å; F34-F139 AromaticContact CZ-CD2 3.51Å; F34-F139 HydrophobicContact CZ-CD2 3.51Å; F34-F139 AromaticContact CZ-CE2 3.86Å; F34-F139 HydrophobicContact CZ-CE2 3.86Å; F34-F139 AromaticContact CZ-CG 3.85Å; F34-F139 HydrophobicContact CZ-CG 3.85Å; F34-N140 PolarHBondContact N-O 3.44Å; F34-N140 VanDerWaalsContact N-O 3.17Å; F34-I141 HydrophobicContact CE2-CG1 4.05Å; F34-I141 HydrophobicContact CZ-CG1 4.01Å; F34-E142 PolarHBondContact O-N 2.99Å; F34-E142 VanDerWaalsContact O-N 3.07Å
35	D	95.2	Very high	81.7	Confident	6 Å²	6	49.9 Å²	49.9	3%	0.032	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.1	179.5	-57	-92.7	0	0	0	113.7	V46 F47 H48 E142 K144	D35-V46 CarbonylContact O-C 3.51Å; D35-V46 WeakPolarHBondContact O-CA 3.45Å; D35-F47 WeakPolarHBondContact CB-O 3.44Å; D35-F47 PolarHBondContact O-N 3.01Å; D35-H48 HydrophobicContact CB-CB 4.45Å; D35-H48 IonicContact OD1-CD2 3.48Å; D35-H48 WeakPolarHBondContact OD2-CB 3.25Å; D35-H48 IonicContact OD2-CD2 2.64Å; D35-H48 PolarHBondContact OD2-CD2 2.72Å; D35-H48 IonicContact OD2-CG 2.88Å; D35-E142 CarbonylContact C-O 3.58Å; D35-E142 WeakPolarHBondContact CA-O 3.43Å; D35-E142 VanDerWaalsContact OD1-CD 3.31Å; D35-K144 HydrophobicContact CB-CD 3.8Å; D35-K144 HydrophobicContact CB-CG 3.99Å; D35-K144 WeakPolarHBondContact OD1-CD 3.32Å; D35-K144 WeakPolarHBondContact OD1-CE 3.35Å; D35-K144 WeakPolarHBondContact OD1-CG 3.26Å; D35-K144 IonicContact OD1-NZ 3.08Å; D35-K144 PolarHBondContact OD1-NZ 3.31Å
36	V	97.2	Very high	84.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130.4	172	176.1	0	0	0	0	111.1	F34 P44 I45 V46 L126 I141 E142 K144 I169	F34-V36 HydrophobicContact CD2-CG2 3.93Å; F34-V36 HydrophobicContact CE2-CG2 3.81Å; V36-P44 HydrophobicContact CG1-CB 3.97Å; V36-I45 WeakPolarHBondContact CA-O 3.11Å; V36-V46 HydrophobicContact CG2-CG2 4.12Å; V36-L126 HydrophobicContact CG1-CD2 4.29Å; V36-L126 HydrophobicContact CG2-CD1 3.88Å; V36-L126 HydrophobicContact CG2-CD2 4.35Å; V36-I141 HydrophobicContact CB-CG2 4.01Å; V36-I141 HydrophobicContact CG2-CG2 3.61Å; V36-E142 PolarHBondContact N-O 3.37Å; V36-K144 PolarHBondContact O-N 3.26Å; V36-I169 HydrophobicContact CG1-CD1 3.89Å; V36-I169 HydrophobicContact CG1-CG1 4.03Å; V36-I169 HydrophobicContact CG1-CG2 4.42Å
37	Q	95.6	Very high	87.3	Confident	3 Å²	3	33.9 Å²	33.9	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	166.6	168.3	63.9	-177	-68.1	0	0	112.2	I45 F47 D49 V81 K144 Y165	Q37-I45 HydrophobicContact CG-CD1 4.47Å; Q37-I45 HydrophobicContact CG-CG1 4.19Å; Q37-I45 PolarHBondContact N-O 2.68Å; Q37-I45 WeakPolarHBondContact O-CG1 3.47Å; Q37-I45 PolarHBondContact O-N 3Å; Q37-F47 PolarHBondContact NE2-O 2.83Å; Q37-D49 PolarHBondContact NE2-O 3.35Å; Q37-V81 HydrophobicContact CG-CG1 4.34Å; Q37-K144 HydrophobicContact CB-CB 4.38Å; Q37-Y165 WeakPolarHBondContact CA-OH 3.25Å; Q37-Y165 VanDerWaalsContact CB-OH 3.23Å; Q37-Y165 WeakPolarHBondContact CB-OH 3.35Å
38	L	96.6	Very high	89.7	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141.5	178.1	-59.1	-166.8	0	0	0	112.8	E42 P44 N82 I160 Y165 R168 I169	L38-E42 HydrophobicContact CD1-CB 4.45Å; L38-P44 HydrophobicContact CD2-CB 3.82Å; L38-P44 HydrophobicContact CD2-CG 3.58Å; L38-N82 WeakPolarHBondContact O-CB 3.41Å; L38-I160 HydrophobicContact CB-CD1 3.84Å; L38-I160 HydrophobicContact CD1-CD1 4.39Å; L38-Y165 HydrophobicContact CB-CD2 3.96Å; L38-Y165 HydrophobicContact CB-CE2 3.53Å; L38-Y165 HydrophobicContact CD1-CD2 3.47Å; L38-Y165 VanDerWaalsContact CD1-CD2 3.47Å; L38-Y165 HydrophobicContact CD1-CE2 3.93Å; L38-Y165 HydrophobicContact CD1-CG 3.91Å; L38-Y165 HydrophobicContact CG-CD1 4.48Å; L38-Y165 HydrophobicContact CG-CD2 3.53Å; L38-Y165 HydrophobicContact CG-CE1 4.39Å; L38-Y165 HydrophobicContact CG-CE2 3.43Å; L38-Y165 VanDerWaalsContact CG-CE2 3.43Å; L38-Y165 HydrophobicContact CG-CG 4.1Å; L38-Y165 PolarHBondContact N-OH 2.94Å; L38-R168 HydrophobicContact CD1-CB 3.95Å; L38-R168 HydrophobicContact CD1-CG 4.11Å; L38-R168 HydrophobicContact CD2-CB 4.18Å; L38-I169 HydrophobicContact CD2-CD1 4.46Å; L38-I169 HydrophobicContact CD2-CG1 3.97Å
39	T	95.3	Very high	91.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.			trans	-73.1	173.2	163.3	61.4	0	0	0	0	111.6	D41 E42 I43 I45 L86 L89	T39-D41 VanDerWaalsContact CB-OD1 3.23Å; T39-D41 WeakPolarHBondContact CB-OD1 3.3Å; T39-D41 PolarHBondContact O-N 3.21Å; T39-D41 PolarHBondContact OG1-OD1 3.14Å; T39-E42 WeakPolarHBondContact O-CA 3.32Å; T39-E42 PolarHBondContact O-N 3.2Å; T39-I43 PolarHBondContact N-O 3.11Å; T39-I43 VanDerWaalsContact N-O 3.1Å; T39-I43 WeakPolarHBondContact OG1-CB 3.4Å; T39-I43 PolarHBondContact OG1-N 3.26Å; T39-I43 PolarHBondContact OG1-O 3.42Å; T39-I45 HydrophobicContact CG2-CD1 3.91Å; T39-I45 HydrophobicContact CG2-CG1 4.07Å; T39-I45 HydrophobicContact CG2-CG2 3.68Å; T39-L86 HydrophobicContact CG2-CB 4.24Å; T39-L86 HydrophobicContact CG2-CD1 4.49Å; T39-L89 HydrophobicContact CG2-CD1 3.6Å
40	K	95	Very high	93.5	Very high	126 Å²	126	34.5 Å²	34.5	55%	0.548	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-36	176	179	176.3	175	179.6	0	113.6	E42 N82 S83 L84 T85	K40-E42 PolarHBondContact O-N 3.01Å; K40-N82 VanDerWaalsContact CA-O 3.22Å; K40-N82 WeakPolarHBondContact CA-O 3.41Å; K40-N82 WeakPolarHBondContact CB-O 3.08Å; K40-N82 PolarHBondContact N-O 2.84Å; K40-S83 VanDerWaalsContact CD-O 3.3Å; K40-S83 WeakPolarHBondContact CD-O 3.32Å; K40-L84 VanDerWaalsContact CB-C 3.42Å; K40-L84 WeakPolarHBondContact CB-O 3.37Å; K40-L84 PolarHBondContact N-O 3.46Å; K40-T85 HydrophobicContact CD-CG2 4.47Å
41	D	96.4	Very high	93.7	Very high	68 Å²	68	33 Å²	33	36%	0.364	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	20	175.8	54.3	-18.7	0	0	0	112.7	T39 I43 T85 L86	T39-D41 VanDerWaalsContact CB-OD1 3.23Å; T39-D41 WeakPolarHBondContact CB-OD1 3.3Å; T39-D41 PolarHBondContact O-N 3.21Å; T39-D41 PolarHBondContact OG1-OD1 3.14Å; D41-I43 VanDerWaalsContact C-N 3.27Å; D41-I43 PolarHBondContact O-N 3.46Å; D41-I43 WeakPolarHBondContact OD2-CD1 3.22Å; D41-T85 HydrophobicContact CB-CG2 4.22Å; D41-T85 VanDerWaalsContact OD1-CA 3.31Å; D41-T85 WeakPolarHBondContact OD1-CA 3.39Å; D41-L86 PolarHBondContact OD1-N 3.38Å; D41-L86 PolarHBondContact OD2-N 2.64Å
42	E	96.8	Very high	93.4	Very high	58 Å²	58	33.2 Å²	33.2	27%	0.271	16%	0.161	S	C	.	.			trans	64.6	25.6	170.3	-54.6	170.2	-167.5	0	0	114.4	L38 T39 K40 L164 R168	L38-E42 HydrophobicContact CD1-CB 4.45Å; T39-E42 WeakPolarHBondContact O-CA 3.32Å; T39-E42 PolarHBondContact O-N 3.2Å; K40-E42 PolarHBondContact O-N 3.01Å; E42-L164 WeakPolarHBondContact OE1-CD2 3.37Å; E42-R168 HydrophobicContact CB-CG 4.19Å; E42-R168 IonicContact OE2-CZ 2.72Å; E42-R168 VanDerWaalsContact OE2-CZ 3.28Å; E42-R168 IonicContact OE2-NE 3.61Å; E42-R168 PolarHBondContact OE2-NE 3.41Å; E42-R168 IonicContact OE2-NH2 3.2Å; E42-R168 PolarHBondContact OE2-NH2 3.31Å
43	I	97.2	Very high	92.9	Very high	54 Å²	54	40 Å²	40	28%	0.277	19%	0.185	S	C	.	.			trans	-91	123.8	179.1	-57.1	174.3	0	0	0	109	T39 D41 I45 L86 T125	T39-I43 PolarHBondContact N-O 3.11Å; T39-I43 VanDerWaalsContact N-O 3.1Å; T39-I43 WeakPolarHBondContact OG1-CB 3.4Å; T39-I43 PolarHBondContact OG1-N 3.26Å; T39-I43 PolarHBondContact OG1-O 3.42Å; D41-I43 VanDerWaalsContact C-N 3.27Å; D41-I43 PolarHBondContact O-N 3.46Å; D41-I43 WeakPolarHBondContact OD2-CD1 3.22Å; I43-I45 PolarHBondContact O-N 3.16Å; I43-L86 HydrophobicContact CD1-CB 3.84Å; I43-L86 HydrophobicContact CD1-CD2 3.82Å; I43-L86 HydrophobicContact CG2-CD2 4Å; I43-T125 HydrophobicContact CG2-CG2 3.81Å
44	P	98	Very high	92.2	Very high	10 Å²	10	41.6 Å²	41.6	7%	0.065	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	120.1	173.5	-18	30.3	0	0	0	111.2	V36 L38 T125 L126 R168 I169 I172	V36-P44 HydrophobicContact CG1-CB 3.97Å; L38-P44 HydrophobicContact CD2-CB 3.82Å; L38-P44 HydrophobicContact CD2-CG 3.58Å; P44-T125 CarbonylContact O-C 3.58Å; P44-T125 WeakPolarHBondContact O-CA 3.44Å; P44-L126 HydrophobicContact CB-CB 3.86Å; P44-L126 HydrophobicContact CB-CD2 4.19Å; P44-L126 PolarHBondContact O-N 3.28Å; P44-R168 HydrophobicContact CG-CB 4.4Å; P44-I169 HydrophobicContact CB-CG1 4.31Å; P44-I169 HydrophobicContact CG-CG1 4.29Å; P44-I172 HydrophobicContact CG-CG1 4.07Å
45	I	95.3	Very high	91.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	152.5	175.1	59.2	163.4	0	0	0	110.6	V36 Q37 T39 I43 F47 V81 L86 L89 F123 P124	V36-I45 WeakPolarHBondContact CA-O 3.11Å; Q37-I45 HydrophobicContact CG-CD1 4.47Å; Q37-I45 HydrophobicContact CG-CG1 4.19Å; Q37-I45 PolarHBondContact N-O 2.68Å; Q37-I45 WeakPolarHBondContact O-CG1 3.47Å; Q37-I45 PolarHBondContact O-N 3Å; T39-I45 HydrophobicContact CG2-CD1 3.91Å; T39-I45 HydrophobicContact CG2-CG1 4.07Å; T39-I45 HydrophobicContact CG2-CG2 3.68Å; I43-I45 PolarHBondContact O-N 3.16Å; I45-F47 HydrophobicContact CD1-CB 4.02Å; I45-F47 HydrophobicContact CG1-CB 4.49Å; I45-V81 HydrophobicContact CD1-CG1 3.71Å; I45-L86 HydrophobicContact CG2-CD1 3.76Å; I45-L89 HydrophobicContact CD1-CD1 3.96Å; I45-F123 HydrophobicContact CD1-CB 4.28Å; I45-F123 HydrophobicContact CD1-CD1 4.07Å; I45-P124 WeakPolarHBondContact CA-O 3.47Å
46	V	93.8	Very high	90.3	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.018	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.1	170	176.4	0	0	0	0	108.9	F34 D35 V36 P124 V129	F34-V46 HydrophobicContact CB-CG1 3.7Å; F34-V46 HydrophobicContact CD2-CB 4.36Å; F34-V46 HydrophobicContact CD2-CG1 3.87Å; F34-V46 HydrophobicContact CD2-CG2 3.55Å; F34-V46 HydrophobicContact CE2-CG2 3.83Å; F34-V46 HydrophobicContact CG-CG1 4.02Å; F34-V46 HydrophobicContact CG-CG2 4.38Å; D35-V46 CarbonylContact O-C 3.51Å; D35-V46 WeakPolarHBondContact O-CA 3.45Å; V36-V46 HydrophobicContact CG2-CG2 4.12Å; V46-P124 HydrophobicContact CB-CG 4.27Å; V46-P124 PolarHBondContact N-O 3.35Å; V46-V129 HydrophobicContact CB-CG2 4.27Å; V46-V129 HydrophobicContact CG2-CB 4.36Å; V46-V129 HydrophobicContact CG2-CG2 3.71Å
47	F	90.9	Very high	89.2	Confident	29 Å²	29	52.6 Å²	52.6	13%	0.127	25%	0.251	C	S	.	.			trans	-166.4	132.1	-179.5	-170.7	-113.1	0	0	0	111.2	D35 Q37 I45 D49 V52 V81 F123	D35-F47 WeakPolarHBondContact CB-O 3.44Å; D35-F47 PolarHBondContact O-N 3.01Å; Q37-F47 PolarHBondContact NE2-O 2.83Å; I45-F47 HydrophobicContact CD1-CB 4.02Å; I45-F47 HydrophobicContact CG1-CB 4.49Å; F47-D49 WeakPolarHBondContact CD1-O 3.23Å; F47-D49 HydrophobicContact CE1-CB 3.72Å; F47-D49 WeakPolarHBondContact CE1-O 3.38Å; F47-D49 HydrophobicContact CZ-CB 4.01Å; F47-V52 HydrophobicContact CE1-CG1 4.13Å; F47-V52 HydrophobicContact CZ-CG1 4.16Å; F47-V81 HydrophobicContact CD1-CG2 3.8Å; F47-V81 HydrophobicContact CE1-CG2 3.7Å; F47-F123 HydrophobicContact CB-CD1 4.15Å; F47-F123 HydrophobicContact CD1-CD1 4.33Å; F47-F123 HydrophobicContact CD1-CE1 4.03Å; F47-F123 AromaticContact CD2-CD1 3.7Å; F47-F123 HydrophobicContact CD2-CD1 3.7Å; F47-F123 AromaticContact CD2-CE1 3.58Å; F47-F123 HydrophobicContact CD2-CE1 3.58Å; F47-F123 HydrophobicContact CE1-CE1 4.02Å; F47-F123 HydrophobicContact CE2-CD1 4.18Å; F47-F123 AromaticContact CE2-CE1 3.58Å; F47-F123 HydrophobicContact CE2-CE1 3.58Å; F47-F123 HydrophobicContact CE2-CZ 4.42Å; F47-F123 AromaticContact CG-CD1 3.8Å; F47-F123 HydrophobicContact CG-CD1 3.8Å; F47-F123 AromaticContact CG-CE1 3.83Å; F47-F123 HydrophobicContact CG-CE1 3.83Å; F47-F123 AromaticContact CZ-CE1 3.82Å; F47-F123 HydrophobicContact CZ-CE1 3.82Å
48	H	88.8	Confident	88	Confident	78 Å²	78	56.1 Å²	56.1	36%	0.361	26%	0.264	S	S	.	.	S	Bend	trans	-76.9	-50.6	-175	175.6	-89.4	0	0	0	113.7	D35 K144	D35-H48 HydrophobicContact CB-CB 4.45Å; D35-H48 IonicContact OD1-CD2 3.48Å; D35-H48 WeakPolarHBondContact OD2-CB 3.25Å; D35-H48 IonicContact OD2-CD2 2.64Å; D35-H48 PolarHBondContact OD2-CD2 2.72Å; D35-H48 IonicContact OD2-CG 2.88Å; H48-K144 PolarHBondContact CD2-NZ 2.99Å; H48-K144 VanDerWaalsContact CD2-NZ 3.29Å; H48-K144 PolarHBondContact NE2-NZ 2.99Å; H48-K144 WeakPolarHBondContact O-CD 3.23Å; H48-K144 WeakPolarHBondContact O-CE 3.37Å
49	D	87.6	Confident	86.7	Confident	87 Å²	87	68.3 Å²	68.3	47%	0.465	31%	0.31	S	S	.	.			trans	-77.9	145.4	-170.4	-65	-23.3	0	0	0	112.6	Q37 F47 H51	Q37-D49 PolarHBondContact NE2-O 3.35Å; F47-D49 WeakPolarHBondContact CD1-O 3.23Å; F47-D49 HydrophobicContact CE1-CB 3.72Å; F47-D49 WeakPolarHBondContact CE1-O 3.38Å; F47-D49 HydrophobicContact CZ-CB 4.01Å; D49-H51 PolarHBondContact O-N 3.06Å
50	F	88.4	Confident	85.3	Confident	52 Å²	52	78.7 Å²	78.7	23%	0.228	35%	0.349	C	S	.	.	S	Bend	trans	-74	-12.4	172.7	-70.5	-62.5	0	0	0	113.7	M80 V81 K144 Y145 P146	F50-M80 HydrophobicContact CB-CE 4.35Å; F50-M80 WeakPolarHBondContact O-CA 3.43Å; F50-V81 PolarHBondContact O-N 2.96Å; F50-K144 HydrophobicContact CE1-CB 3.85Å; F50-K144 HydrophobicContact CZ-CB 3.91Å; F50-K144 HydrophobicContact CZ-CD 4.42Å; F50-Y145 WeakPolarHBondContact CZ-O 3.5Å; F50-P146 HydrophobicContact CD1-CG 3.96Å; F50-P146 HydrophobicContact CE1-CG 3.9Å
51	H	87.7	Confident	83.5	Confident	90 Å²	90	81.1 Å²	81.1	42%	0.417	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150	-174.1	-56.7	82.4	0	0	0	111.7	D49 T78 V79 M80	D49-H51 PolarHBondContact O-N 3.06Å; H51-T78 HydrophobicContact CB-CG2 3.56Å; H51-V79 CarbonylContact C-O 3.54Å; H51-V79 VanDerWaalsContact CA-O 3.23Å; H51-V79 WeakPolarHBondContact CA-O 3.43Å; H51-M80 PolarHBondContact CD2-SD 3.01Å; H51-M80 VanDerWaalsContact CE1-SD 3.5Å; H51-M80 PolarHBondContact NE2-SD 3.17Å
52	V	85.7	Confident	81.5	Confident	12 Å²	12	80.9 Å²	80.9	7%	0.073	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	150	165.6	-67.8	0	0	0	0	109.7	F47 L54 V79 V81 L84 L89 L92 F123	F47-V52 HydrophobicContact CE1-CG1 4.13Å; F47-V52 HydrophobicContact CZ-CG1 4.16Å; V52-L54 HydrophobicContact CG2-CD2 3.94Å; V52-L54 HydrophobicContact CG2-CG 4.43Å; V52-V79 HydrophobicContact CG2-CB 4.47Å; V52-V79 PolarHBondContact N-O 3.02Å; V52-V79 PolarHBondContact O-N 2.77Å; V52-V81 HydrophobicContact CG1-CG2 3.95Å; V52-L84 HydrophobicContact CG2-CD1 3.88Å; V52-L89 HydrophobicContact CG1-CD2 4.28Å; V52-L89 HydrophobicContact CG2-CD2 4.35Å; V52-L92 HydrophobicContact CG2-CD1 4.05Å; V52-F123 HydrophobicContact CG1-CE1 3.98Å; V52-F123 HydrophobicContact CG1-CZ 3.8Å
53	R	81.4	Confident	79.6	Confident	157 Å²	157	83.6 Å²	83.6	59%	0.592	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	122	176	-69	-178.9	67	-167.2	0.6	109.5	M76 H77	R53-M76 HydrophobicContact CB-CG 4.16Å; R53-M76 HydrophobicContact CB-SD 3.69Å; R53-H77 CarbonylContact C-O 3.57Å; R53-H77 WeakPolarHBondContact CA-O 3.06Å
54	L	79	Confident	77.7	Confident	39 Å²	39	86.7 Å²	86.7	20%	0.204	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.8	-175.5	-52.8	-174.3	0	0	0	110.6	V52 M76 H77 V79 L92	V52-L54 HydrophobicContact CG2-CD2 3.94Å; V52-L54 HydrophobicContact CG2-CG 4.43Å; L54-M76 CarbonylContact O-C 3.55Å; L54-M76 WeakPolarHBondContact O-CA 3.22Å; L54-M76 VanDerWaalsContact O-SD 3.34Å; L54-H77 PolarHBondContact N-O 2.79Å; L54-H77 PolarHBondContact O-N 3.39Å; L54-V79 HydrophobicContact CD1-CB 4.09Å; L54-V79 HydrophobicContact CD1-CG2 3.59Å; L54-V79 HydrophobicContact CG-CB 4.48Å; L54-V79 HydrophobicContact CG-CG2 4.11Å; L54-L92 HydrophobicContact CD2-CD1 3.38Å; L54-L92 HydrophobicContact CD2-CD2 3.53Å; L54-L92 HydrophobicContact CD2-CG 3.98Å
55	L	74.7	Confident	75.6	Confident	70 Å²	70	87.6 Å²	87.6	37%	0.366	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.3	171.4	-166.8	73	0	0	0	109.8	L71 W74 M76	L55-L71 HydrophobicContact CD2-CD2 4.04Å; L55-W74 HydrophobicContact CD1-CB 3.74Å; L55-W74 HydrophobicContact CD2-CB 4.17Å; L55-W74 HydrophobicContact CD2-CD2 4.08Å; L55-W74 HydrophobicContact CD2-CE3 3.98Å; L55-W74 HydrophobicContact CD2-CG 4.19Å; L55-W74 HydrophobicContact CG-CB 3.87Å; L55-W74 HydrophobicContact CG-CD2 4.21Å; L55-W74 HydrophobicContact CG-CE3 3.81Å; L55-W74 HydrophobicContact CG-CG 4.28Å; L55-M76 HydrophobicContact CB-CE 4.37Å; L55-M76 HydrophobicContact CB-SD 4.46Å; L55-M76 HydrophobicContact CD1-CE 4.04Å
56	A	75	Confident	73.9	Confident	37 Å²	37	93.6 Å²	93.6	31%	0.306	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	143.3	179.3	0	0	0	0	0	111.5	W74 E75	A56-W74 CarbonylContact O-C 3.16Å; A56-W74 WeakPolarHBondContact O-CA 3.47Å; A56-E75 PolarHBondContact N-O 2.89Å; A56-E75 PolarHBondContact O-N 2.81Å
57	K	74.5	Confident	72.1	Confident	131 Å²	131	98.2 Å²	98.2	57%	0.57	49%	0.49	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	129	175.5	-170.9	176.2	-177.2	174.6	0	110	R59 W74	K57-R59 PolarHBondContact O-N 3.47Å; K57-W74 HydrophobicContact CB-CD2 4.35Å; K57-W74 HydrophobicContact CB-CE3 4.01Å; K57-W74 HydrophobicContact CB-CH2 4.34Å; K57-W74 HydrophobicContact CB-CZ3 4.02Å
58	R	69.9	Low	70.5	Confident	78 Å²	78	103.9 Å²	103.9	29%	0.294	53%	0.526	S	S	.	.			trans	-60.8	136.2	177	-73.6	-176.6	170.1	160.1	6.9	111.4	R60 S65 D73 E75	R58-R60 VanDerWaalsContact C-N 3.32Å; R58-R60 PolarHBondContact O-N 3.4Å; R58-S65 PolarHBondContact NH1-OG 3.34Å; R58-D73 WeakPolarHBondContact CB-O 3.39Å; R58-D73 PolarHBondContact N-O 2.8Å; R58-E75 HydrophobicContact CG-CB 4.18Å; R58-E75 HydrophobicContact CG-CG 4.26Å; R58-E75 WeakPolarHBondContact CG-OE2 3.39Å; R58-E75 IonicContact CZ-OE2 3.01Å; R58-E75 IonicContact NE-OE2 2.97Å; R58-E75 PolarHBondContact NE-OE2 2.68Å; R58-E75 IonicContact NH2-OE2 3.01Å
59	R	69.8	Low	69.4	Low	256 Å²	256	101.7 Å²	101.7	97%	0.966	53%	0.525	S	S	*	.	S	Bend	trans	-73	-21	177.6	-61.7	-179.3	104.1	178.4	6.3	113.3	K57	K57-R59 PolarHBondContact O-N 3.47Å
60	R	66.1	Low	68.4	Low	217 Å²	217	102.1 Å²	102.1	82%	0.819	53%	0.532	S	S	*	.			trans	-129.4	122.5	-178.3	-69.2	-177.1	176.7	176	-0.4	111.6	R58 G62	R58-R60 VanDerWaalsContact C-N 3.32Å; R58-R60 PolarHBondContact O-N 3.4Å; R60-G62 PolarHBondContact O-N 3.43Å; R60-G62 VanDerWaalsContact O-N 3.08Å
61	K	56	Low	67.3	Low	177 Å²	177	103.7 Å²	103.7	77%	0.77	54%	0.543	S	S	*	.	S	Bend	trans	-74.7	20.9	176.4	-81.1	-169.9	165.9	-166.8	0	115.1	D73	K61-D73 WeakPolarHBondContact CE-OD2 3.36Å; K61-D73 IonicContact NZ-OD2 2.86Å; K61-D73 PolarHBondContact NZ-OD2 2.91Å
62	G	55.6	Low	66.4	Low	63 Å²	63	101.5 Å²	101.5	65%	0.649	54%	0.538	S	S	*	.			trans	-108.8	-12.8	-151.6	0	0	0	0	0	119	R60	R60-G62 PolarHBondContact O-N 3.43Å; R60-G62 VanDerWaalsContact O-N 3.08Å
63	T	55.9	Low	65.9	Low	115 Å²	115	103.2 Å²	103.2	71%	0.706	55%	0.546	S	S	*	.	S	Bend	trans	-135	99.3	-171.3	50.4	0	0	0	0	109.9	S65	T63-S65 PolarHBondContact O-N 2.79Å
64	S	57.1	Low	65.6	Low	119 Å²	119	100.7 Å²	100.7	83%	0.832	54%	0.537	S	S	*	.			trans	16.8	77.9	157.3	47.2	0	0	0	0	114.5
65	S	54.6	Low	65.6	Low	29 Å²	29	102.2 Å²	102.2	20%	0.203	54%	0.543	C	S	.	.			trans	-68.5	126.7	164.4	-154.5	0	0	0	0	106.8	R58 T63 I67	R58-S65 PolarHBondContact NH1-OG 3.34Å; T63-S65 PolarHBondContact O-N 2.79Å; S65-I67 PolarHBondContact O-N 3Å; S65-I67 VanDerWaalsContact O-N 3.11Å
66	P	59.5	Low	65.9	Low	126 Å²	126	102.4 Å²	102.4	82%	0.818	54%	0.543	S	S	*	.	S	Bend	trans	-63.9	-13.6	173.8	24.5	-31.3	0	0	0	112.2	V68	P66-V68 PolarHBondContact O-N 3.44Å
67	I	56.8	Low	66.1	Low	101 Å²	101	104.2 Å²	104.2	52%	0.518	55%	0.545	S	S	.	.			trans	-88.1	103.9	179.1	-52.9	174.1	0	0	0	109.2	S65 S72	S65-I67 PolarHBondContact O-N 3Å; S65-I67 VanDerWaalsContact O-N 3.11Å; I67-S72 VanDerWaalsContact O-CB 3.29Å; I67-S72 WeakPolarHBondContact O-CB 3.48Å
68	V	57.5	Low	66.6	Low	147 Å²	147	102.3 Å²	102.3	89%	0.891	54%	0.544	S	S	*	.			trans	-85.8	109.9	167.2	-179.5	0	0	0	0	107.7	P66	P66-V68 PolarHBondContact O-N 3.44Å
69	G	65.3	Low	67.4	Low	32 Å²	32	100.2 Å²	100.2	33%	0.33	54%	0.54	S	S	.	.	S	Bend	trans	166.6	175	-179.9	0	0	0	0	0	113.1	L71 S72	G69-L71 PolarHBondContact O-N 2.93Å; G69-S72 VanDerWaalsContact O-CB 3.3Å; G69-S72 WeakPolarHBondContact O-CB 3.35Å; G69-S72 PolarHBondContact O-N 2.94Å; G69-S72 PolarHBondContact O-OG 2.9Å
70	P	65.5	Low	68.3	Low	97 Å²	97	89.5 Å²	89.5	63%	0.63	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-19.1	-176.8	21.5	-32	0	0	0	114.1	F103	P70-F103 HydrophobicContact CG-CZ 4.18Å
71	L	66.6	Low	69.5	Low	85 Å²	85	79.2 Å²	79.2	45%	0.445	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6	176.6	-63.7	176.5	0	0	0	114.2	L55 G69 D73 W74	L55-L71 HydrophobicContact CD2-CD2 4.04Å; G69-L71 PolarHBondContact O-N 2.93Å; L71-D73 PolarHBondContact O-N 3.04Å; L71-D73 VanDerWaalsContact O-N 3.11Å; L71-W74 HydrophobicContact CD2-CG 4.34Å; L71-W74 PolarHBondContact O-N 3Å
72	S	68.4	Low	71.1	Confident	44 Å²	44	71.6 Å²	71.6	31%	0.308	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.2	-176.5	64.9	0	0	0	0	114.1	I67 G69 W74	I67-S72 VanDerWaalsContact O-CB 3.29Å; I67-S72 WeakPolarHBondContact O-CB 3.48Å; G69-S72 VanDerWaalsContact O-CB 3.3Å; G69-S72 WeakPolarHBondContact O-CB 3.35Å; G69-S72 PolarHBondContact O-N 2.94Å; G69-S72 PolarHBondContact O-OG 2.9Å; S72-W74 VanDerWaalsContact C-N 3.3Å
73	D	75.8	Confident	72.8	Confident	48 Å²	48	71 Å²	71	26%	0.257	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-3.4	178	-78.7	1.4	0	0	0	112.9	R58 K61 L71	R58-D73 WeakPolarHBondContact CB-O 3.39Å; R58-D73 PolarHBondContact N-O 2.8Å; K61-D73 WeakPolarHBondContact CE-OD2 3.36Å; K61-D73 IonicContact NZ-OD2 2.86Å; K61-D73 PolarHBondContact NZ-OD2 2.91Å; L71-D73 PolarHBondContact O-N 3.04Å; L71-D73 VanDerWaalsContact O-N 3.11Å
74	W	75	Confident	74.6	Confident	103 Å²	103	66.8 Å²	66.8	39%	0.39	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	150.1	-175.6	-59	82.8	0	0	0	110.9	L55 A56 K57 L71 S72	L55-W74 HydrophobicContact CD1-CB 3.74Å; L55-W74 HydrophobicContact CD2-CB 4.17Å; L55-W74 HydrophobicContact CD2-CD2 4.08Å; L55-W74 HydrophobicContact CD2-CE3 3.98Å; L55-W74 HydrophobicContact CD2-CG 4.19Å; L55-W74 HydrophobicContact CG-CB 3.87Å; L55-W74 HydrophobicContact CG-CD2 4.21Å; L55-W74 HydrophobicContact CG-CE3 3.81Å; L55-W74 HydrophobicContact CG-CG 4.28Å; A56-W74 CarbonylContact O-C 3.16Å; A56-W74 WeakPolarHBondContact O-CA 3.47Å; K57-W74 HydrophobicContact CB-CD2 4.35Å; K57-W74 HydrophobicContact CB-CE3 4.01Å; K57-W74 HydrophobicContact CB-CH2 4.34Å; K57-W74 HydrophobicContact CB-CZ3 4.02Å; L71-W74 HydrophobicContact CD2-CG 4.34Å; L71-W74 PolarHBondContact O-N 3Å; S72-W74 VanDerWaalsContact C-N 3.3Å
75	E	78	Confident	76.4	Confident	72 Å²	72	62.8 Å²	62.8	34%	0.336	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.1	171.9	79.9	-167.6	179.9	0	0	110.7	A56 R58 H77	A56-E75 PolarHBondContact N-O 2.89Å; A56-E75 PolarHBondContact O-N 2.81Å; R58-E75 HydrophobicContact CG-CB 4.18Å; R58-E75 HydrophobicContact CG-CG 4.26Å; R58-E75 WeakPolarHBondContact CG-OE2 3.39Å; R58-E75 IonicContact CZ-OE2 3.01Å; R58-E75 IonicContact NE-OE2 2.97Å; R58-E75 PolarHBondContact NE-OE2 2.68Å; R58-E75 IonicContact NH2-OE2 3.01Å; E75-H77 WeakPolarHBondContact CG-NE2 3.43Å; E75-H77 IonicContact OE1-CE1 2.77Å; E75-H77 PolarHBondContact OE1-CE1 2.89Å; E75-H77 IonicContact OE1-NE2 3.28Å; E75-H77 PolarHBondContact OE1-NE2 3.42Å
76	M	80.8	Confident	78.2	Confident	74 Å²	74	62 Å²	62	37%	0.365	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	128.5	179.1	-169.7	66	75.4	0	0	109.2	R53 L54 L55	R53-M76 HydrophobicContact CB-CG 4.16Å; R53-M76 HydrophobicContact CB-SD 3.69Å; L54-M76 CarbonylContact O-C 3.55Å; L54-M76 WeakPolarHBondContact O-CA 3.22Å; L54-M76 VanDerWaalsContact O-SD 3.34Å; L55-M76 HydrophobicContact CB-CE 4.37Å; L55-M76 HydrophobicContact CB-SD 4.46Å; L55-M76 HydrophobicContact CD1-CE 4.04Å
77	H	80.1	Confident	79.8	Confident	74 Å²	74	64.1 Å²	64.1	34%	0.343	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	142.1	172	-60.5	-85.4	0	0	0	110	R53 L54 E75 V79	R53-H77 CarbonylContact C-O 3.57Å; R53-H77 WeakPolarHBondContact CA-O 3.06Å; L54-H77 PolarHBondContact N-O 2.79Å; L54-H77 PolarHBondContact O-N 3.39Å; E75-H77 WeakPolarHBondContact CG-NE2 3.43Å; E75-H77 IonicContact OE1-CE1 2.77Å; E75-H77 PolarHBondContact OE1-CE1 2.89Å; E75-H77 IonicContact OE1-NE2 3.28Å; E75-H77 PolarHBondContact OE1-NE2 3.42Å; H77-V79 HydrophobicContact CB-CG2 4.44Å
78	T	84.5	Confident	81.4	Confident	91 Å²	91	62.4 Å²	62.4	56%	0.558	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	126.1	171.3	-54.7	0	0	0	0	108	H51	H51-T78 HydrophobicContact CB-CG2 3.56Å
79	V	86.8	Confident	82.9	Confident	34 Å²	34	55.4 Å²	55.4	21%	0.206	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.8	-175.2	-178.9	0	0	0	0	109.7	H51 V52 L54 H77 S83 L84	H51-V79 CarbonylContact C-O 3.54Å; H51-V79 VanDerWaalsContact CA-O 3.23Å; H51-V79 WeakPolarHBondContact CA-O 3.43Å; V52-V79 HydrophobicContact CG2-CB 4.47Å; V52-V79 PolarHBondContact N-O 3.02Å; V52-V79 PolarHBondContact O-N 2.77Å; L54-V79 HydrophobicContact CD1-CB 4.09Å; L54-V79 HydrophobicContact CD1-CG2 3.59Å; L54-V79 HydrophobicContact CG-CB 4.48Å; L54-V79 HydrophobicContact CG-CG2 4.11Å; H77-V79 HydrophobicContact CB-CG2 4.44Å; V79-S83 WeakPolarHBondContact CG1-OG 3.22Å; V79-L84 HydrophobicContact CG1-CD1 4.08Å; V79-L84 HydrophobicContact CG1-CD2 4.26Å; V79-L84 HydrophobicContact CG1-CG 4.06Å
80	M	89.4	Confident	83.9	Confident	32 Å²	32	56.5 Å²	56.5	16%	0.158	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.6	176.1	-69.5	-68.8	-69.9	0	0	110.9	F50 H51 N82 S83 P146	F50-M80 HydrophobicContact CB-CE 4.35Å; F50-M80 WeakPolarHBondContact O-CA 3.43Å; H51-M80 PolarHBondContact CD2-SD 3.01Å; H51-M80 VanDerWaalsContact CE1-SD 3.5Å; H51-M80 PolarHBondContact NE2-SD 3.17Å; M80-N82 VanDerWaalsContact C-N 3.29Å; M80-N82 WeakPolarHBondContact CB-OD1 3.48Å; M80-N82 PolarHBondContact O-N 3.43Å; M80-S83 WeakPolarHBondContact O-CB 3.37Å; M80-S83 PolarHBondContact O-N 3.07Å; M80-S83 PolarHBondContact O-OG 3.4Å; M80-P146 HydrophobicContact CE-CG 4.25Å
81	V	89.7	Confident	84.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-56.9	-44.9	177.5	169.3	0	0	0	0	111.2	Q37 I45 F47 F50 V52 S83 L84 L89	Q37-V81 HydrophobicContact CG-CG1 4.34Å; I45-V81 HydrophobicContact CD1-CG1 3.71Å; F47-V81 HydrophobicContact CD1-CG2 3.8Å; F47-V81 HydrophobicContact CE1-CG2 3.7Å; F50-V81 PolarHBondContact O-N 2.96Å; V52-V81 HydrophobicContact CG1-CG2 3.95Å; V81-S83 PolarHBondContact O-N 3.18Å; V81-L84 PolarHBondContact O-N 3.4Å; V81-L84 VanDerWaalsContact O-N 3.1Å; V81-L89 HydrophobicContact CG1-CD1 4.08Å
82	N	91.2	Very high	85.1	Confident	18 Å²	18	53.9 Å²	53.9	10%	0.096	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-69.7	-1.8	179.6	72.9	3	0	0	0	114.7	L38 K40 M80 Y158 I160	L38-N82 WeakPolarHBondContact O-CB 3.41Å; K40-N82 VanDerWaalsContact CA-O 3.22Å; K40-N82 WeakPolarHBondContact CA-O 3.41Å; K40-N82 WeakPolarHBondContact CB-O 3.08Å; K40-N82 PolarHBondContact N-O 2.84Å; M80-N82 VanDerWaalsContact C-N 3.29Å; M80-N82 WeakPolarHBondContact CB-OD1 3.48Å; M80-N82 PolarHBondContact O-N 3.43Å; N82-Y158 PolarHBondContact ND2-O 3.35Å; N82-I160 HydrophobicContact CB-CD1 4.34Å
83	S	91.4	Very high	84.7	Confident	49 Å²	49	61.6 Å²	61.6	34%	0.343	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-96.4	-2.3	173.8	77.4	0	0	0	0	113.5	K40 V79 M80 V81	K40-S83 VanDerWaalsContact CD-O 3.3Å; K40-S83 WeakPolarHBondContact CD-O 3.32Å; V79-S83 WeakPolarHBondContact CG1-OG 3.22Å; M80-S83 WeakPolarHBondContact O-CB 3.37Å; M80-S83 PolarHBondContact O-N 3.07Å; M80-S83 PolarHBondContact O-OG 3.4Å; V81-S83 PolarHBondContact O-N 3.18Å
84	L	92.1	Very high	83.6	Confident	27 Å²	27	62.4 Å²	62.4	14%	0.141	31%	0.312	C	S	.	.	S	Bend	trans	-118.2	142.7	-179.5	-62.5	177.3	0	0	0	110.7	K40 V52 V79 V81 D88 L89 L92	K40-L84 VanDerWaalsContact CB-C 3.42Å; K40-L84 WeakPolarHBondContact CB-O 3.37Å; K40-L84 PolarHBondContact N-O 3.46Å; V52-L84 HydrophobicContact CG2-CD1 3.88Å; V79-L84 HydrophobicContact CG1-CD1 4.08Å; V79-L84 HydrophobicContact CG1-CD2 4.26Å; V79-L84 HydrophobicContact CG1-CG 4.06Å; V81-L84 PolarHBondContact O-N 3.4Å; V81-L84 VanDerWaalsContact O-N 3.1Å; L84-D88 HydrophobicContact CB-CB 4.14Å; L84-D88 HydrophobicContact CD2-CB 4.33Å; L84-L89 HydrophobicContact CB-CD2 4.08Å; L84-L89 HydrophobicContact CB-CG 3.97Å; L84-L89 HydrophobicContact CD1-CD2 3.78Å; L84-L89 HydrophobicContact CD1-CG 4.48Å; L84-L92 HydrophobicContact CD1-CD1 4.16Å
85	T	94.9	Very high	82.4	Confident	35 Å²	35	64.5 Å²	64.5	22%	0.215	33%	0.326	C	S	.	.			trans	-71.5	161.1	171.5	65.5	0	0	0	0	110.3	K40 D41 K87 D88 L89	K40-T85 HydrophobicContact CD-CG2 4.47Å; D41-T85 HydrophobicContact CB-CG2 4.22Å; D41-T85 VanDerWaalsContact OD1-CA 3.31Å; D41-T85 WeakPolarHBondContact OD1-CA 3.39Å; T85-K87 PolarHBondContact O-N 3.01Å; T85-D88 WeakPolarHBondContact CB-OD2 3.44Å; T85-D88 PolarHBondContact N-OD2 2.83Å; T85-D88 WeakPolarHBondContact O-CB 3.33Å; T85-D88 PolarHBondContact O-N 2.82Å; T85-D88 PolarHBondContact OG1-N 2.93Å; T85-D88 VanDerWaalsContact OG1-N 3.14Å; T85-D88 PolarHBondContact OG1-OD2 3.03Å; T85-L89 PolarHBondContact O-N 3.06Å
86	L	93.8	Very high	80.5	Confident	14 Å²	14	66.7 Å²	66.7	7%	0.073	34%	0.336	C	S	.	.	H	α-helix	trans	-56.2	-38.7	174.2	179	60.4	0	0	0	111.9	T39 D41 I43 I45 L89 R90 T125	T39-L86 HydrophobicContact CG2-CB 4.24Å; T39-L86 HydrophobicContact CG2-CD1 4.49Å; D41-L86 PolarHBondContact OD1-N 3.38Å; D41-L86 PolarHBondContact OD2-N 2.64Å; I43-L86 HydrophobicContact CD1-CB 3.84Å; I43-L86 HydrophobicContact CD1-CD2 3.82Å; I43-L86 HydrophobicContact CG2-CD2 4Å; I45-L86 HydrophobicContact CG2-CD1 3.76Å; L86-L89 PolarHBondContact O-N 3.44Å; L86-R90 HydrophobicContact CD1-CG 4.23Å; L86-R90 WeakPolarHBondContact O-CB 3.28Å; L86-R90 WeakPolarHBondContact O-CG 3.24Å; L86-R90 PolarHBondContact O-N 3.27Å; L86-T125 HydrophobicContact CD2-CG2 3.61Å
87	K	92.2	Very high	78.4	Confident	169 Å²	169	66.7 Å²	66.7	74%	0.735	35%	0.348	S	S	*	.	H	α-helix	trans	-62.2	-43	175.8	-176.8	-178.7	177.6	-179.5	0	111.7	T85 S91	T85-K87 PolarHBondContact O-N 3.01Å; K87-S91 WeakPolarHBondContact O-CB 3.27Å; K87-S91 PolarHBondContact O-N 2.76Å; K87-S91 VanDerWaalsContact O-N 3.07Å
88	D	90.5	Very high	76.1	Confident	66 Å²	66	72.2 Å²	72.2	35%	0.353	38%	0.376	S	S	.	.	H	α-helix	trans	-61.9	-49.1	177.3	-61.5	-40.5	0	0	0	110	L84 T85 R90 S91 L92	L84-D88 HydrophobicContact CB-CB 4.14Å; L84-D88 HydrophobicContact CD2-CB 4.33Å; T85-D88 WeakPolarHBondContact CB-OD2 3.44Å; T85-D88 PolarHBondContact N-OD2 2.83Å; T85-D88 WeakPolarHBondContact O-CB 3.33Å; T85-D88 PolarHBondContact O-N 2.82Å; T85-D88 PolarHBondContact OG1-N 2.93Å; T85-D88 VanDerWaalsContact OG1-N 3.14Å; T85-D88 PolarHBondContact OG1-OD2 3.03Å; D88-R90 PolarHBondContact O-N 2.91Å; D88-S91 WeakPolarHBondContact O-CB 3.42Å; D88-S91 PolarHBondContact O-N 2.84Å; D88-S91 VanDerWaalsContact O-N 3.1Å; D88-S91 PolarHBondContact O-OG 3.11Å; D88-L92 WeakPolarHBondContact O-CG 3.24Å; D88-L92 PolarHBondContact O-N 3.21Å
89	L	89	Confident	73.6	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-56.5	-46.9	178.7	-72.9	170.5	0	0	0	112.5	T39 I45 V52 V81 L84 T85 L86 S91 L92 F123	T39-L89 HydrophobicContact CG2-CD1 3.6Å; I45-L89 HydrophobicContact CD1-CD1 3.96Å; V52-L89 HydrophobicContact CG1-CD2 4.28Å; V52-L89 HydrophobicContact CG2-CD2 4.35Å; V81-L89 HydrophobicContact CG1-CD1 4.08Å; L84-L89 HydrophobicContact CB-CD2 4.08Å; L84-L89 HydrophobicContact CB-CG 3.97Å; L84-L89 HydrophobicContact CD1-CD2 3.78Å; L84-L89 HydrophobicContact CD1-CG 4.48Å; T85-L89 PolarHBondContact O-N 3.06Å; L86-L89 PolarHBondContact O-N 3.44Å; L89-S91 VanDerWaalsContact C-N 3.26Å; L89-S91 PolarHBondContact O-N 2.92Å; L89-L92 HydrophobicContact CD2-CD1 4.08Å; L89-L92 VanDerWaalsContact O-CB 3.23Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 WeakPolarHBondContact O-CG 3.27Å; L89-L92 PolarHBondContact O-N 3.14Å; L89-L92 VanDerWaalsContact O-N 3.1Å; L89-F123 HydrophobicContact CB-CD2 3.84Å; L89-F123 HydrophobicContact CB-CE2 4.03Å; L89-F123 HydrophobicContact CB-CG 4.25Å; L89-F123 HydrophobicContact CD2-CE1 4.29Å; L89-F123 HydrophobicContact CD2-CE2 4.35Å; L89-F123 HydrophobicContact CD2-CZ 4.11Å
90	R	86.5	Confident	71.1	Confident	54 Å²	54	79.3 Å²	79.3	20%	0.204	41%	0.414	C	S	.	.	H	α-helix	trans	-68.9	-23.3	178.6	-73.5	171.7	172	-171.4	-0.4	113.7	L86 D88 L92 Q121	L86-R90 HydrophobicContact CD1-CG 4.23Å; L86-R90 WeakPolarHBondContact O-CB 3.28Å; L86-R90 WeakPolarHBondContact O-CG 3.24Å; L86-R90 PolarHBondContact O-N 3.27Å; D88-R90 PolarHBondContact O-N 2.91Å; R90-L92 VanDerWaalsContact C-N 3.28Å; R90-Q121 VanDerWaalsContact CD-OE1 3.26Å
91	S	82.5	Confident	68.4	Low	87 Å²	87	81.8 Å²	81.8	61%	0.608	43%	0.434	S	S	*	.	H	α-helix	trans	-78.1	-14	173.3	78.8	0	0	0	0	113.2	K87 D88 L89 K93	K87-S91 WeakPolarHBondContact O-CB 3.27Å; K87-S91 PolarHBondContact O-N 2.76Å; K87-S91 VanDerWaalsContact O-N 3.07Å; D88-S91 WeakPolarHBondContact O-CB 3.42Å; D88-S91 PolarHBondContact O-N 2.84Å; D88-S91 VanDerWaalsContact O-N 3.1Å; D88-S91 PolarHBondContact O-OG 3.11Å; L89-S91 VanDerWaalsContact C-N 3.26Å; L89-S91 PolarHBondContact O-N 2.92Å; S91-K93 PolarHBondContact O-N 2.97Å
92	L	73.9	Confident	65.4	Low	40 Å²	40	88.5 Å²	88.5	21%	0.209	47%	0.47	C	S	.	.	S	Bend	trans	-71.7	125.6	176.4	-56.6	176.7	0	0	0	109.5	V52 L54 L84 D88 L89 R90 M94	V52-L92 HydrophobicContact CG2-CD1 4.05Å; L54-L92 HydrophobicContact CD2-CD1 3.38Å; L54-L92 HydrophobicContact CD2-CD2 3.53Å; L54-L92 HydrophobicContact CD2-CG 3.98Å; L84-L92 HydrophobicContact CD1-CD1 4.16Å; D88-L92 WeakPolarHBondContact O-CG 3.24Å; D88-L92 PolarHBondContact O-N 3.21Å; L89-L92 HydrophobicContact CD2-CD1 4.08Å; L89-L92 VanDerWaalsContact O-CB 3.23Å; L89-L92 WeakPolarHBondContact O-CB 3.35Å; L89-L92 WeakPolarHBondContact O-CG 3.27Å; L89-L92 PolarHBondContact O-N 3.14Å; L89-L92 VanDerWaalsContact O-N 3.1Å; R90-L92 VanDerWaalsContact C-N 3.28Å; L92-M94 PolarHBondContact O-N 3.37Å
93	K	61.1	Low	62.7	Low	207 Å²	207	95.3 Å²	95.3	90%	0.9	50%	0.499	S	S	*	.			trans	-71	99.4	161.4	-66.1	-171.5	177.9	-170.6	0	107.2	S91 E95	S91-K93 PolarHBondContact O-N 2.97Å; K93-E95 PolarHBondContact O-N 3.02Å
94	M	53.3	Low	60	Low	64 Å²	64	97 Å²	97	32%	0.315	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-68	125	175.8	-81.6	-177.6	32.9	0	0	110.6	L92 P122 F123	L92-M94 PolarHBondContact O-N 3.37Å; M94-P122 HydrophobicContact CE-CB 4.13Å; M94-P122 HydrophobicContact CG-CB 4.47Å; M94-P122 HydrophobicContact SD-CB 3.33Å; M94-P122 WeakPolarHBondContact SD-CB 3.05Å; M94-P122 HydrophobicContact SD-CG 3.96Å; M94-F123 HydrophobicContact CG-CE2 4Å; M94-F123 HydrophobicContact CG-CZ 4.12Å; M94-F123 HydrophobicContact SD-CD2 4.12Å; M94-F123 HydrophobicContact SD-CE1 4.18Å; M94-F123 HydrophobicContact SD-CE2 3.25Å; M94-F123 WeakPolarHBondContact SD-CE2 3.45Å; M94-F123 HydrophobicContact SD-CZ 3.28Å; M94-F123 WeakPolarHBondContact SD-CZ 3.34Å
95	E	48.2	Very low	56.9	Low	147 Å²	147	107.6 Å²	107.6	69%	0.687	54%	0.542	S	S	*	.	P	Polyproline II helix	trans	-98.2	118.3	155.3	-85.9	-174.6	160.8	0	0	107.6	K93 A97	K93-E95 PolarHBondContact O-N 3.02Å; E95-A97 PolarHBondContact O-N 2.96Å
96	H	39.6	Very low	53.7	Low	119 Å²	119	108.7 Å²	108.7	55%	0.551	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-67	123.2	170.3	-73.4	-90.3	0	0	0	108.8	M98	H96-M98 PolarHBondContact O-N 3.05Å
97	A	36.4	Very low	50.5	Low	74 Å²	74	117.1 Å²	117.1	61%	0.612	59%	0.593	S	S	*	*	S	Bend	trans	-69.2	3.4	-178.1	0	0	0	0	0	114.4	E95 A99	E95-A97 PolarHBondContact O-N 2.96Å; A97-A99 PolarHBondContact O-N 2.87Å; A97-A99 VanDerWaalsContact O-N 3.15Å
98	M	30.2	Very low	47.3	Very low	190 Å²	190	113.9 Å²	113.9	94%	0.936	59%	0.592	S	S	*	*			trans	-87.7	52.2	175.4	-65	-167.9	78.2	0	0	112.4	H96	H96-M98 PolarHBondContact O-N 3.05Å
99	A	33	Very low	44.2	Very low	76 Å²	76	114.9 Å²	114.9	63%	0.628	60%	0.604	S	S	*	*			trans	-141.4	55.2	169.2	0	0	0	0	0	110.7	A97 S101	A97-A99 PolarHBondContact O-N 2.87Å; A97-A99 VanDerWaalsContact O-N 3.15Å; A99-S101 PolarHBondContact O-N 3.06Å
100	E	34.5	Very low	41.3	Very low	197 Å²	197	120.2 Å²	120.2	92%	0.921	64%	0.636	S	S	*	*			trans	-70.9	61.3	155.4	-72.3	-166.5	163.2	0	0	110.1
101	S	32.4	Very low	38.6	Very low	85 Å²	85	121.6 Å²	121.6	59%	0.594	65%	0.65	S	S	*	*	S	Bend	trans	176.4	136.8	144.7	68.2	0	0	0	0	108.3	A99	A99-S101 PolarHBondContact O-N 3.06Å
102	N	27.5	Very low	36	Very low	140 Å²	140	123 Å²	123	75%	0.749	65%	0.651	S	S	*	*			trans	79.2	58.9	169.8	-49.8	-38.1	0	0	0	117.5	L104	N102-L104 PolarHBondContact O-N 2.78Å
103	F	33.7	Very low	34.3	Very low	161 Å²	161	129.4 Å²	129.4	71%	0.706	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	17.9	96.9	132.4	-151.1	-99.3	0	0	0	116.2	P70 R105	P70-F103 HydrophobicContact CG-CZ 4.18Å; F103-R105 PolarHBondContact O-N 3.45Å
104	L	34.4	Very low	33.2	Very low	86 Å²	86	125.5 Å²	125.5	45%	0.45	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	63.1	29.2	156.5	-56.2	175.9	0	0	0	118.7	N102 Y107	N102-L104 PolarHBondContact O-N 2.78Å; L104-Y107 HydrophobicContact CD2-CE2 4.32Å
105	R	27.4	Very low	32.5	Very low	248 Å²	248	131.1 Å²	131.1	94%	0.936	70%	0.7	S	S	*	*			trans	-107	76.5	165.2	-86.1	-169.1	175.9	-161.3	0.6	111.8	F103	F103-R105 PolarHBondContact O-N 3.45Å
106	G	27	Very low	31.9	Very low	59 Å²	59	127.3 Å²	127.3	61%	0.608	69%	0.688	S	S	*	*			trans	170.9	42.6	173.2	0	0	0	0	0	114.3	S108	G106-S108 PolarHBondContact O-N 2.82Å
107	Y	26.3	Very low	32.1	Very low	191 Å²	191	127 Å²	127	75%	0.749	69%	0.69	S	S	*	*			trans	-69	70	161.3	-71.3	-82.5	0	0	0	108.5	L104 S109	L104-Y107 HydrophobicContact CD2-CE2 4.32Å; Y107-S109 VanDerWaalsContact C-N 3.31Å; Y107-S109 PolarHBondContact O-N 3.15Å; Y107-S109 VanDerWaalsContact O-N 3.14Å
108	S	26.1	Very low	32.8	Very low	101 Å²	101	129.9 Å²	129.9	71%	0.706	69%	0.69	S	S	*	*			trans	-80.3	90.8	166.9	-54.1	0	0	0	0	105.8	G106 V110	G106-S108 PolarHBondContact O-N 2.82Å; S108-V110 VanDerWaalsContact C-N 3.32Å; S108-V110 PolarHBondContact O-N 3.17Å
109	S	25.9	Very low	33.6	Very low	87 Å²	87	128.1 Å²	128.1	61%	0.608	68%	0.68	S	S	*	*			trans	-59.4	100.2	163.6	57.8	0	0	0	0	107.6	Y107 T111	Y107-S109 VanDerWaalsContact C-N 3.31Å; Y107-S109 PolarHBondContact O-N 3.15Å; Y107-S109 VanDerWaalsContact O-N 3.14Å; S109-T111 PolarHBondContact O-N 2.85Å
110	V	27.8	Very low	34.6	Very low	112 Å²	112	129.9 Å²	129.9	68%	0.679	68%	0.678	S	S	*	*			trans	-89.7	50.8	158.6	-158.5	0	0	0	0	108	S108	S108-V110 VanDerWaalsContact C-N 3.32Å; S108-V110 PolarHBondContact O-N 3.17Å
111	T	28.8	Very low	35.9	Very low	82 Å²	82	122.7 Å²	122.7	50%	0.503	65%	0.645	S	S	.	*			trans	-140.2	86.5	154.3	60.9	0	0	0	0	103.3	S109	S109-T111 PolarHBondContact O-N 2.85Å
112	N	27.8	Very low	38.1	Very low	118 Å²	118	120.1 Å²	120.1	63%	0.631	63%	0.626	S	S	*	*			trans	-51.7	144.2	142.3	-74.8	-25.7	0	0	0	105.1	D114	N112-D114 HydrophobicContact CB-CB 4.38Å; N112-D114 CarbonylContact O-C 3.53Å; N112-D114 PolarHBondContact O-N 3.1Å
113	D	38.8	Very low	40.9	Very low	173 Å²	173	113.6 Å²	113.6	93%	0.925	59%	0.591	S	S	*	*	S	Bend	trans	-61.8	9.9	176	-72.9	-49.1	0	0	0	113.4
114	D	38.6	Very low	43.7	Very low	126 Å²	126	106.7 Å²	106.7	67%	0.674	56%	0.563	S	S	*	*	S	Bend	trans	-76.6	120.7	160.8	-56.6	-47.3	0	0	0	107.8	N112	N112-D114 HydrophobicContact CB-CB 4.38Å; N112-D114 CarbonylContact O-C 3.53Å; N112-D114 PolarHBondContact O-N 3.1Å
115	E	37.3	Very low	46.6	Very low	181 Å²	181	103.3 Å²	103.3	85%	0.846	55%	0.546	S	S	*	.			trans	-32.5	120.9	-179	-67.1	-177.4	159	0	0	111.6	I117	E115-I117 PolarHBondContact O-N 2.9Å
116	P	35.5	Very low	49.9	Very low	67 Å²	67	91.5 Å²	91.5	44%	0.435	50%	0.501	S	S	.	.			trans	-55.6	115	-175.5	20	-30.6	0	0	0	108.2	E118	P116-E118 PolarHBondContact O-N 3.43Å
117	I	44.3	Very low	53.2	Low	114 Å²	114	91.5 Å²	91.5	59%	0.585	49%	0.485	S	S	*	.			trans	-53.6	120.1	176.1	-55.7	172.6	0	0	0	105.3	E115 E119 D120	E115-I117 PolarHBondContact O-N 2.9Å; I117-E119 HydrophobicContact CG2-CB 4.13Å; I117-E119 HydrophobicContact CG2-CG 4.3Å; I117-E119 PolarHBondContact O-N 2.9Å; I117-D120 PolarHBondContact O-N 3Å; I117-D120 VanDerWaalsContact O-N 3.11Å
118	E	50.9	Low	56.4	Low	133 Å²	133	84.2 Å²	84.2	62%	0.621	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-53.5	-16.8	-173.2	-72.4	-172	153.9	0	0	113.7	P116 Q128	P116-E118 PolarHBondContact O-N 3.43Å; E118-Q128 PolarHBondContact O-NE2 3.45Å
119	E	48	Very low	59.6	Low	154 Å²	154	79.8 Å²	79.8	72%	0.72	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-72.6	-27	-178.9	-65.5	-175.9	168.4	0	0	114.3	I117	I117-E119 HydrophobicContact CG2-CB 4.13Å; I117-E119 HydrophobicContact CG2-CG 4.3Å; I117-E119 PolarHBondContact O-N 2.9Å
120	D	54.4	Low	62.9	Low	112 Å²	112	76.2 Å²	76.2	60%	0.599	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-101.3	8.2	-177.2	-70.4	-25.9	0	0	0	113.4	I117	I117-D120 PolarHBondContact O-N 3Å; I117-D120 VanDerWaalsContact O-N 3.11Å
121	Q	62	Low	66.1	Low	47 Å²	47	77.3 Å²	77.3	22%	0.22	40%	0.396	C	S	.	.	S	Bend	trans	-76	141.4	179	-66	-163.2	-1	0	0	111.4	R90	R90-Q121 VanDerWaalsContact CD-OE1 3.26Å
122	P	78.3	Confident	69.1	Low	31 Å²	31	76.8 Å²	76.8	20%	0.201	40%	0.395	C	S	.	.	S	Bend	trans	-60.5	159.3	172.3	27.5	-34.5	0	0	0	111	M94	M94-P122 HydrophobicContact CE-CB 4.13Å; M94-P122 HydrophobicContact CG-CB 4.47Å; M94-P122 HydrophobicContact SD-CB 3.33Å; M94-P122 WeakPolarHBondContact SD-CB 3.05Å; M94-P122 HydrophobicContact SD-CG 3.96Å
123	F	86.3	Confident	72.1	Confident	2 Å²	2	72.4 Å²	72.4	1%	0.009	37%	0.372	C	S	.	.	S	Bend	trans	60.2	62.6	-176.9	-43.8	-82.8	0	0	0	112.5	I45 F47 V52 L89 M94 T125	I45-F123 HydrophobicContact CD1-CB 4.28Å; I45-F123 HydrophobicContact CD1-CD1 4.07Å; F47-F123 HydrophobicContact CB-CD1 4.15Å; F47-F123 HydrophobicContact CD1-CD1 4.33Å; F47-F123 HydrophobicContact CD1-CE1 4.03Å; F47-F123 AromaticContact CD2-CD1 3.7Å; F47-F123 HydrophobicContact CD2-CD1 3.7Å; F47-F123 AromaticContact CD2-CE1 3.58Å; F47-F123 HydrophobicContact CD2-CE1 3.58Å; F47-F123 HydrophobicContact CE1-CE1 4.02Å; F47-F123 HydrophobicContact CE2-CD1 4.18Å; F47-F123 AromaticContact CE2-CE1 3.58Å; F47-F123 HydrophobicContact CE2-CE1 3.58Å; F47-F123 HydrophobicContact CE2-CZ 4.42Å; F47-F123 AromaticContact CG-CD1 3.8Å; F47-F123 HydrophobicContact CG-CD1 3.8Å; F47-F123 AromaticContact CG-CE1 3.83Å; F47-F123 HydrophobicContact CG-CE1 3.83Å; F47-F123 AromaticContact CZ-CE1 3.82Å; F47-F123 HydrophobicContact CZ-CE1 3.82Å; V52-F123 HydrophobicContact CG1-CE1 3.98Å; V52-F123 HydrophobicContact CG1-CZ 3.8Å; L89-F123 HydrophobicContact CB-CD2 3.84Å; L89-F123 HydrophobicContact CB-CE2 4.03Å; L89-F123 HydrophobicContact CB-CG 4.25Å; L89-F123 HydrophobicContact CD2-CE1 4.29Å; L89-F123 HydrophobicContact CD2-CE2 4.35Å; L89-F123 HydrophobicContact CD2-CZ 4.11Å; M94-F123 HydrophobicContact CG-CE2 4Å; M94-F123 HydrophobicContact CG-CZ 4.12Å; M94-F123 HydrophobicContact SD-CD2 4.12Å; M94-F123 HydrophobicContact SD-CE1 4.18Å; M94-F123 HydrophobicContact SD-CE2 3.25Å; M94-F123 WeakPolarHBondContact SD-CE2 3.45Å; M94-F123 HydrophobicContact SD-CZ 3.28Å; M94-F123 WeakPolarHBondContact SD-CZ 3.34Å; F123-T125 PolarHBondContact O-N 2.99Å
124	P	91.6	Very high	74.6	Confident	17 Å²	17	67.7 Å²	67.7	11%	0.11	35%	0.351	C	S	.	.			trans	-60.3	139.2	174.5	26.2	-32	0	0	0	109.7	I45 V46 V129	I45-P124 WeakPolarHBondContact CA-O 3.47Å; V46-P124 HydrophobicContact CB-CG 4.27Å; V46-P124 PolarHBondContact N-O 3.35Å; P124-V129 HydrophobicContact CB-CG2 4.07Å; P124-V129 HydrophobicContact CG-CG2 4.24Å
125	T	95.5	Very high	77.1	Confident	15 Å²	15	66.7 Å²	66.7	9%	0.092	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-71.8	154.2	174.1	67.6	0	0	0	0	110	I43 P44 L86 F123 E127 Q128 V129	I43-T125 HydrophobicContact CG2-CG2 3.81Å; P44-T125 CarbonylContact O-C 3.58Å; P44-T125 WeakPolarHBondContact O-CA 3.44Å; L86-T125 HydrophobicContact CD2-CG2 3.61Å; F123-T125 PolarHBondContact O-N 2.99Å; T125-E127 PolarHBondContact O-N 3.19Å; T125-Q128 WeakPolarHBondContact O-CB 3.23Å; T125-Q128 PolarHBondContact O-N 3.02Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.37Å; T125-Q128 PolarHBondContact OG1-N 3.08Å; T125-Q128 VanDerWaalsContact OG1-N 3.08Å; T125-Q128 PolarHBondContact OG1-OE1 3.45Å; T125-V129 PolarHBondContact O-N 3.46Å
126	L	96.4	Very high	79.7	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-55	-36.3	172.4	-178.2	57.5	0	0	0	111.3	F34 V36 P44 V129 F130 I141 I169 I172 V173	F34-L126 HydrophobicContact CE2-CD1 3.67Å; F34-L126 HydrophobicContact CZ-CD1 4.1Å; V36-L126 HydrophobicContact CG1-CD2 4.29Å; V36-L126 HydrophobicContact CG2-CD1 3.88Å; V36-L126 HydrophobicContact CG2-CD2 4.35Å; P44-L126 HydrophobicContact CB-CB 3.86Å; P44-L126 HydrophobicContact CB-CD2 4.19Å; P44-L126 PolarHBondContact O-N 3.28Å; L126-V129 PolarHBondContact O-N 3.08Å; L126-F130 HydrophobicContact CD1-CD2 3.93Å; L126-F130 HydrophobicContact CD1-CE2 3.63Å; L126-F130 HydrophobicContact CD2-CE2 4.21Å; L126-F130 HydrophobicContact CG-CD2 3.9Å; L126-F130 HydrophobicContact CG-CE2 3.72Å; L126-F130 VanDerWaalsContact O-CD2 3.24Å; L126-F130 WeakPolarHBondContact O-CD2 3.35Å; L126-F130 PolarHBondContact O-N 3.32Å; L126-I141 HydrophobicContact CD1-CD1 4.39Å; L126-I169 HydrophobicContact CD2-CG2 4.17Å; L126-I172 HydrophobicContact CB-CG2 4.17Å; L126-I172 HydrophobicContact CD2-CB 4.24Å; L126-I172 HydrophobicContact CD2-CG2 3.99Å; L126-I172 HydrophobicContact CG-CG2 3.89Å; L126-V173 HydrophobicContact CD2-CG2 3.94Å
127	E	96.5	Very high	82.3	Confident	58 Å²	58	61.7 Å²	61.7	27%	0.271	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-44.6	173.9	168.7	164.9	-167.6	0	0	112.8	T125 F130 K131 I172 L176	T125-E127 PolarHBondContact O-N 3.19Å; E127-F130 PolarHBondContact O-N 2.98Å; E127-K131 HydrophobicContact CG-CD 4.03Å; E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.27Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 3.96Å; E127-K131 PolarHBondContact OE1-NZ 3.34Å; E127-I172 HydrophobicContact CB-CG2 4.23Å; E127-L176 HydrophobicContact CB-CD1 3.74Å; E127-L176 HydrophobicContact CG-CD1 3.65Å
128	Q	93.9	Very high	84.7	Confident	38 Å²	38	56.3 Å²	56.3	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-61.4	-45.2	175.2	-75	171	-48.6	0	0	110.6	E118 T125 F130 K131 S132	E118-Q128 PolarHBondContact O-NE2 3.45Å; T125-Q128 WeakPolarHBondContact O-CB 3.23Å; T125-Q128 PolarHBondContact O-N 3.02Å; T125-Q128 WeakPolarHBondContact OG1-CG 3.37Å; T125-Q128 PolarHBondContact OG1-N 3.08Å; T125-Q128 VanDerWaalsContact OG1-N 3.08Å; T125-Q128 PolarHBondContact OG1-OE1 3.45Å; Q128-F130 PolarHBondContact O-N 3.22Å; Q128-K131 PolarHBondContact O-N 3.24Å; Q128-K131 VanDerWaalsContact O-N 3.07Å; Q128-S132 WeakPolarHBondContact O-CB 3.21Å; Q128-S132 PolarHBondContact O-N 3.29Å; Q128-S132 PolarHBondContact O-OG 3.35Å
129	V	94	Very high	86.8	Confident	9 Å²	9	50 Å²	50	6%	0.055	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-42.7	179.3	175.8	0	0	0	0	112.3	F34 V46 P124 T125 L126 K131 S132 L133 F139	F34-V129 HydrophobicContact CE1-CG1 3.95Å; F34-V129 HydrophobicContact CE2-CG1 4.48Å; F34-V129 HydrophobicContact CZ-CG1 3.93Å; V46-V129 HydrophobicContact CB-CG2 4.27Å; V46-V129 HydrophobicContact CG2-CB 4.36Å; V46-V129 HydrophobicContact CG2-CG2 3.71Å; P124-V129 HydrophobicContact CB-CG2 4.07Å; P124-V129 HydrophobicContact CG-CG2 4.24Å; T125-V129 PolarHBondContact O-N 3.46Å; L126-V129 PolarHBondContact O-N 3.08Å; V129-K131 VanDerWaalsContact C-N 3.27Å; V129-K131 PolarHBondContact O-N 3.44Å; V129-S132 PolarHBondContact O-N 3.41Å; V129-L133 HydrophobicContact CG1-CD1 3.71Å; V129-L133 HydrophobicContact CG1-CG 4.43Å; V129-L133 PolarHBondContact O-N 3.37Å; V129-F139 HydrophobicContact CG1-CE2 4.14Å; V129-F139 HydrophobicContact CG1-CZ 4.03Å
130	F	95.4	Very high	89.1	Confident	11 Å²	11	42.7 Å²	42.7	5%	0.048	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-37.2	174.3	-89.4	-70.3	0	0	0	113.1	L126 E127 Q128 F139 I141 I172 V173 L176 A177 R180	L126-F130 HydrophobicContact CD1-CD2 3.93Å; L126-F130 HydrophobicContact CD1-CE2 3.63Å; L126-F130 HydrophobicContact CD2-CE2 4.21Å; L126-F130 HydrophobicContact CG-CD2 3.9Å; L126-F130 HydrophobicContact CG-CE2 3.72Å; L126-F130 VanDerWaalsContact O-CD2 3.24Å; L126-F130 WeakPolarHBondContact O-CD2 3.35Å; L126-F130 PolarHBondContact O-N 3.32Å; E127-F130 PolarHBondContact O-N 2.98Å; Q128-F130 PolarHBondContact O-N 3.22Å; F130-F139 HydrophobicContact CD1-CD2 4.01Å; F130-F139 AromaticContact CD1-CE2 3.53Å; F130-F139 HydrophobicContact CD1-CE2 3.53Å; F130-F139 HydrophobicContact CD1-CZ 4.45Å; F130-F139 HydrophobicContact CD2-CE2 4.41Å; F130-F139 AromaticContact CE1-CD2 3.55Å; F130-F139 HydrophobicContact CE1-CD2 3.55Å; F130-F139 AromaticContact CE1-CE2 3.6Å; F130-F139 HydrophobicContact CE1-CE2 3.6Å; F130-F139 HydrophobicContact CE2-CD2 4.45Å; F130-F139 HydrophobicContact CE2-CE2 4.46Å; F130-F139 AromaticContact CG-CE2 3.94Å; F130-F139 HydrophobicContact CG-CE2 3.94Å; F130-F139 AromaticContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CE2 4.07Å; F130-I141 HydrophobicContact CE2-CD1 4.34Å; F130-I141 HydrophobicContact CZ-CD1 3.99Å; F130-I172 HydrophobicContact CD2-CG2 4.33Å; F130-V173 HydrophobicContact CE2-CB 4.5Å; F130-V173 HydrophobicContact CE2-CG2 3.96Å; F130-V173 HydrophobicContact CZ-CB 4.4Å; F130-V173 HydrophobicContact CZ-CG1 4.24Å; F130-V173 HydrophobicContact CZ-CG2 4.08Å; F130-L176 HydrophobicContact CB-CB 3.82Å; F130-L176 HydrophobicContact CB-CD1 4Å; F130-L176 HydrophobicContact CD1-CB 4.25Å; F130-L176 HydrophobicContact CD2-CB 4.11Å; F130-L176 HydrophobicContact CD2-CD1 4.36Å; F130-L176 HydrophobicContact CG-CB 3.81Å; F130-L176 HydrophobicContact CG-CD1 4.45Å; F130-A177 HydrophobicContact CD1-CB 4.5Å; F130-A177 HydrophobicContact CE1-CB 3.66Å; F130-A177 HydrophobicContact CZ-CB 4.07Å; F130-R180 PolarHBondContact O-NH2 3.49Å
131	K	94.1	Very high	91.2	Very high	136 Å²	136	37.3 Å²	37.3	59%	0.591	22%	0.215	S	C	*	.	H	α-helix	trans	-78.7	-34.4	-178.7	-73.2	171.5	170	176.9	0	113	E127 Q128 V129	E127-K131 HydrophobicContact CG-CD 4.03Å; E127-K131 WeakPolarHBondContact O-CG 3.33Å; E127-K131 PolarHBondContact O-N 3.27Å; E127-K131 WeakPolarHBondContact OE1-CE 3.35Å; E127-K131 IonicContact OE1-NZ 3.96Å; E127-K131 PolarHBondContact OE1-NZ 3.34Å; Q128-K131 PolarHBondContact O-N 3.24Å; Q128-K131 VanDerWaalsContact O-N 3.07Å; V129-K131 VanDerWaalsContact C-N 3.27Å; V129-K131 PolarHBondContact O-N 3.44Å
132	S	91.1	Very high	92.9	Very high	70 Å²	70	36 Å²	36	49%	0.49	21%	0.209	S	C	.	.	H	α-helix	trans	-85	-21.5	-174.3	-59.5	0	0	0	0	113.7	Q128 V129	Q128-S132 WeakPolarHBondContact O-CB 3.21Å; Q128-S132 PolarHBondContact O-N 3.29Å; Q128-S132 PolarHBondContact O-OG 3.35Å; V129-S132 PolarHBondContact O-N 3.41Å
133	L	90.9	Very high	93.8	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.136	20%	0.2	C	C	.	.	S	Bend	trans	-100.8	143.6	-177.8	-66.4	178.6	0	0	0	113.1	F8 V32 V129 L137 F139 R180	F8-L133 HydrophobicContact CE1-CD2 4.41Å; F8-L133 HydrophobicContact CE2-CD2 4.11Å; F8-L133 HydrophobicContact CZ-CD2 3.57Å; F8-L133 HydrophobicContact CZ-CG 4.38Å; V32-L133 HydrophobicContact CG1-CD1 4.26Å; V129-L133 HydrophobicContact CG1-CD1 3.71Å; V129-L133 HydrophobicContact CG1-CG 4.43Å; V129-L133 PolarHBondContact O-N 3.37Å; L133-L137 HydrophobicContact CB-CD2 4.48Å; L133-L137 HydrophobicContact CD1-CD2 4.23Å; L133-L137 HydrophobicContact CD2-CD2 4.48Å; L133-F139 HydrophobicContact CB-CE1 4.08Å; L133-F139 HydrophobicContact CB-CZ 3.93Å; L133-F139 HydrophobicContact CD1-CE1 3.62Å; L133-F139 HydrophobicContact CD1-CZ 3.69Å; L133-F139 HydrophobicContact CG-CZ 4.38Å; L133-R180 PolarHBondContact O-NH2 3.41Å
134	P	91.6	Very high	94.2	Very high	75 Å²	75	35.4 Å²	35.4	49%	0.487	20%	0.203	S	C	.	.			trans	-57.7	134.8	-179	-23.8	32.9	0	0	0	112.6	S136 L137 R180	P134-S136 PolarHBondContact O-N 3.28Å; P134-L137 WeakPolarHBondContact O-CB 3.24Å; P134-L137 PolarHBondContact O-N 3.34Å; P134-R180 PolarHBondContact O-NH1 2.65Å; P134-R180 PolarHBondContact O-NH2 3.19Å
135	P	91.8	Very high	94.4	Very high	104 Å²	104	35.1 Å²	35.1	68%	0.675	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-21.5	-178.6	-28.5	35.7	0	0	0	115.9	L137	P135-L137 VanDerWaalsContact C-N 3.34Å
136	S	91.2	Very high	94.1	Very high	109 Å²	109	35.1 Å²	35.1	76%	0.762	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.7	178.4	57.9	0	0	0	0	114.4	P134	P134-S136 PolarHBondContact O-N 3.28Å
137	L	90.9	Very high	93.8	Very high	35 Å²	35	36.5 Å²	36.5	18%	0.183	21%	0.207	C	C	.	.	S	Bend	trans	-79.6	124.6	179.2	-175.5	70	0	0	0	109.8	E30 V32 L133 P134 P135 F139 R180	E30-L137 HydrophobicContact CB-CD1 3.87Å; E30-L137 WeakPolarHBondContact O-CD1 3.33Å; V32-L137 HydrophobicContact CB-CD2 4.05Å; V32-L137 HydrophobicContact CB-CG 4.4Å; V32-L137 HydrophobicContact CG1-CD2 3.61Å; V32-L137 HydrophobicContact CG1-CG 3.97Å; L133-L137 HydrophobicContact CB-CD2 4.48Å; L133-L137 HydrophobicContact CD1-CD2 4.23Å; L133-L137 HydrophobicContact CD2-CD2 4.48Å; P134-L137 WeakPolarHBondContact O-CB 3.24Å; P134-L137 PolarHBondContact O-N 3.34Å; P135-L137 VanDerWaalsContact C-N 3.34Å; L137-F139 HydrophobicContact CD2-CE1 4.42Å; L137-R180 WeakPolarHBondContact O-CD 3.34Å; L137-R180 VanDerWaalsContact O-CG 3.23Å; L137-R180 WeakPolarHBondContact O-CG 3.23Å; L137-R180 PolarHBondContact O-NH1 2.89Å
138	G	93.7	Very high	93.5	Very high	1 Å²	1	39 Å²	39	1%	0.01	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	149.6	177.1	0	0	0	0	0	112	E30 F31 V32 S181	E30-G138 PolarHBondContact O-N 2.72Å; F31-G138 CarbonylContact C-O 3.57Å; F31-G138 VanDerWaalsContact CA-O 3.22Å; F31-G138 WeakPolarHBondContact CA-O 3.32Å; F31-G138 VanDerWaalsContact CD1-C 3.43Å; V32-G138 PolarHBondContact N-O 2.97Å; G138-S181 CarbonylContact C-O 3.58Å; G138-S181 VanDerWaalsContact CA-O 3.23Å; G138-S181 WeakPolarHBondContact CA-O 3.43Å
139	F	95.3	Very high	93.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.4	176.6	-70.7	-1.9	0	0	0	110.4	F31 V32 F34 V129 F130 L133 L137 I141 R180 S181 V182 I183	F31-F139 VanDerWaalsContact CD1-C 3.48Å; F31-F139 WeakPolarHBondContact CE1-O 3.43Å; V32-F139 HydrophobicContact CG1-CD1 3.46Å; V32-F139 VanDerWaalsContact CG1-CD1 3.46Å; V32-F139 HydrophobicContact CG1-CE1 3.7Å; V32-F139 HydrophobicContact CG1-CG 4.49Å; V32-F139 CarbonylContact O-C 3.58Å; V32-F139 WeakPolarHBondContact O-CA 3.49Å; F34-F139 HydrophobicContact CE1-CB 4.14Å; F34-F139 AromaticContact CE1-CD1 3.92Å; F34-F139 HydrophobicContact CE1-CD1 3.92Å; F34-F139 AromaticContact CE1-CD2 3.78Å; F34-F139 HydrophobicContact CE1-CD2 3.78Å; F34-F139 HydrophobicContact CE1-CE1 4.22Å; F34-F139 HydrophobicContact CE1-CE2 4.07Å; F34-F139 AromaticContact CE1-CG 3.7Å; F34-F139 HydrophobicContact CE1-CG 3.7Å; F34-F139 HydrophobicContact CE1-CZ 4.29Å; F34-F139 HydrophobicContact CZ-CB 4.22Å; F34-F139 HydrophobicContact CZ-CD1 4.48Å; F34-F139 AromaticContact CZ-CD2 3.51Å; F34-F139 HydrophobicContact CZ-CD2 3.51Å; F34-F139 AromaticContact CZ-CE2 3.86Å; F34-F139 HydrophobicContact CZ-CE2 3.86Å; F34-F139 AromaticContact CZ-CG 3.85Å; F34-F139 HydrophobicContact CZ-CG 3.85Å; V129-F139 HydrophobicContact CG1-CE2 4.14Å; V129-F139 HydrophobicContact CG1-CZ 4.03Å; F130-F139 HydrophobicContact CD1-CD2 4.01Å; F130-F139 AromaticContact CD1-CE2 3.53Å; F130-F139 HydrophobicContact CD1-CE2 3.53Å; F130-F139 HydrophobicContact CD1-CZ 4.45Å; F130-F139 HydrophobicContact CD2-CE2 4.41Å; F130-F139 AromaticContact CE1-CD2 3.55Å; F130-F139 HydrophobicContact CE1-CD2 3.55Å; F130-F139 AromaticContact CE1-CE2 3.6Å; F130-F139 HydrophobicContact CE1-CE2 3.6Å; F130-F139 HydrophobicContact CE2-CD2 4.45Å; F130-F139 HydrophobicContact CE2-CE2 4.46Å; F130-F139 AromaticContact CG-CE2 3.94Å; F130-F139 HydrophobicContact CG-CE2 3.94Å; F130-F139 AromaticContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CD2 3.8Å; F130-F139 HydrophobicContact CZ-CE2 4.07Å; L133-F139 HydrophobicContact CB-CE1 4.08Å; L133-F139 HydrophobicContact CB-CZ 3.93Å; L133-F139 HydrophobicContact CD1-CE1 3.62Å; L133-F139 HydrophobicContact CD1-CZ 3.69Å; L133-F139 HydrophobicContact CG-CZ 4.38Å; L137-F139 HydrophobicContact CD2-CE1 4.42Å; F139-I141 HydrophobicContact CB-CG1 4.05Å; F139-R180 VanDerWaalsContact CE1-NH1 3.25Å; F139-S181 PolarHBondContact N-O 3.05Å; F139-V182 HydrophobicContact CB-CG2 4.47Å; F139-V182 CarbonylContact O-C 3.56Å; F139-V182 VanDerWaalsContact O-CA 3.28Å; F139-V182 WeakPolarHBondContact O-CA 3.49Å; F139-I183 PolarHBondContact O-N 3.36Å
140	N	96.1	Very high	93.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	113.3	154.4	-180	5.1	0	0	0	107.5	I15 V32 E33 F34 I183 S185	I15-N140 HydrophobicContact CD1-CB 3.3Å; I15-N140 VanDerWaalsContact CD1-ND2 3.33Å; I15-N140 WeakPolarHBondContact CD1-ND2 3.45Å; V32-N140 PolarHBondContact O-N 3.35Å; E33-N140 WeakPolarHBondContact CA-O 3.25Å; E33-N140 HydrophobicContact CB-CB 4.09Å; E33-N140 HydrophobicContact CG-CB 4.04Å; F34-N140 PolarHBondContact N-O 3.44Å; F34-N140 VanDerWaalsContact N-O 3.17Å; N140-I183 CarbonylContact C-O 3.53Å; N140-I183 VanDerWaalsContact CA-O 3.27Å; N140-I183 WeakPolarHBondContact CA-O 3.45Å; N140-I183 PolarHBondContact OD1-O 3.28Å; N140-S185 WeakPolarHBondContact OD1-CB 3.49Å; N140-S185 PolarHBondContact OD1-OG 3.21Å
141	I	98	Very high	92.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100	179.8	-58.4	178	0	0	0	107.2	F34 V36 L126 F130 F139 V143 V173 V182 I183 F184 S185	F34-I141 HydrophobicContact CE2-CG1 4.05Å; F34-I141 HydrophobicContact CZ-CG1 4.01Å; V36-I141 HydrophobicContact CB-CG2 4.01Å; V36-I141 HydrophobicContact CG2-CG2 3.61Å; L126-I141 HydrophobicContact CD1-CD1 4.39Å; F130-I141 HydrophobicContact CE2-CD1 4.34Å; F130-I141 HydrophobicContact CZ-CD1 3.99Å; F139-I141 HydrophobicContact CB-CG1 4.05Å; I141-V143 HydrophobicContact CG2-CG2 4.37Å; I141-V143 PolarHBondContact O-N 3.4Å; I141-V173 HydrophobicContact CD1-CG2 3.7Å; I141-V182 HydrophobicContact CD1-CG1 3.79Å; I141-V182 HydrophobicContact CG1-CG1 4.18Å; I141-I183 PolarHBondContact N-O 3.11Å; I141-F184 HydrophobicContact CB-CD1 3.91Å; I141-F184 HydrophobicContact CB-CE1 4.11Å; I141-F184 HydrophobicContact CD1-CE1 4.12Å; I141-F184 HydrophobicContact CG2-CD1 4.13Å; I141-F184 HydrophobicContact CG2-CE1 4.12Å; I141-S185 PolarHBondContact O-N 3.1Å
142	E	97.8	Very high	92.3	Very high	20 Å²	20	45.8 Å²	45.8	9%	0.093	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	108.4	170.7	177.9	173.7	146.5	0	0	108.9	E33 F34 D35 V36 K144 S185 F187 L207	E33-E142 WeakPolarHBondContact OE1-CB 3.46Å; F34-E142 PolarHBondContact O-N 2.99Å; F34-E142 VanDerWaalsContact O-N 3.07Å; D35-E142 CarbonylContact C-O 3.58Å; D35-E142 WeakPolarHBondContact CA-O 3.43Å; D35-E142 VanDerWaalsContact OD1-CD 3.31Å; V36-E142 PolarHBondContact N-O 3.37Å; E142-K144 HydrophobicContact CG-CG 4.29Å; E142-K144 PolarHBondContact O-N 2.78Å; E142-K144 IonicContact OE1-NZ 3.29Å; E142-K144 PolarHBondContact OE1-NZ 3.02Å; E142-S185 CarbonylContact C-O 3.53Å; E142-S185 WeakPolarHBondContact CA-O 3.26Å; E142-S185 WeakPolarHBondContact CA-OG 3.5Å; E142-F187 WeakPolarHBondContact OE1-CD2 3.25Å; E142-F187 WeakPolarHBondContact OE1-CE2 3.32Å; E142-L207 VanDerWaalsContact CD-CD1 3.46Å; E142-L207 HydrophobicContact CG-CD1 3.72Å; E142-L207 WeakPolarHBondContact OE2-CD1 3.35Å
143	V	98.4	Very high	91.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	104.3	174.3	-177.6	0	0	0	0	108.7	I141 Y165 M166 I169 F184 S185 S186 I191 I195	I141-V143 HydrophobicContact CG2-CG2 4.37Å; I141-V143 PolarHBondContact O-N 3.4Å; V143-Y165 HydrophobicContact CG1-CD1 4.4Å; V143-Y165 HydrophobicContact CG1-CE1 3.9Å; V143-M166 HydrophobicContact CG1-CE 4.48Å; V143-M166 HydrophobicContact CG1-SD 3.81Å; V143-M166 HydrophobicContact CG2-CE 4.34Å; V143-I169 HydrophobicContact CG1-CD1 3.73Å; V143-I169 HydrophobicContact CG2-CD1 4.35Å; V143-F184 HydrophobicContact CG2-CD1 4.08Å; V143-S185 PolarHBondContact N-O 3.07Å; V143-S186 WeakPolarHBondContact O-CB 3.49Å; V143-S186 PolarHBondContact O-OG 3.1Å; V143-I191 HydrophobicContact CB-CG2 3.89Å; V143-I191 HydrophobicContact CG1-CG2 3.73Å; V143-I195 HydrophobicContact CG2-CD1 4.12Å
144	K	94.5	Very high	90.6	Very high	20 Å²	20	51.4 Å²	51.4	9%	0.087	29%	0.288	C	S	.	.			trans	-80.7	128.7	174.7	-74.6	-162.6	124.1	68.3	0	110.7	D35 V36 Q37 H48 F50 E142 Y165	D35-K144 HydrophobicContact CB-CD 3.8Å; D35-K144 HydrophobicContact CB-CG 3.99Å; D35-K144 WeakPolarHBondContact OD1-CD 3.32Å; D35-K144 WeakPolarHBondContact OD1-CE 3.35Å; D35-K144 WeakPolarHBondContact OD1-CG 3.26Å; D35-K144 IonicContact OD1-NZ 3.08Å; D35-K144 PolarHBondContact OD1-NZ 3.31Å; V36-K144 PolarHBondContact O-N 3.26Å; Q37-K144 HydrophobicContact CB-CB 4.38Å; H48-K144 PolarHBondContact CD2-NZ 2.99Å; H48-K144 VanDerWaalsContact CD2-NZ 3.29Å; H48-K144 PolarHBondContact NE2-NZ 2.99Å; H48-K144 WeakPolarHBondContact O-CD 3.23Å; H48-K144 WeakPolarHBondContact O-CE 3.37Å; F50-K144 HydrophobicContact CE1-CB 3.85Å; F50-K144 HydrophobicContact CZ-CB 3.91Å; F50-K144 HydrophobicContact CZ-CD 4.42Å; E142-K144 HydrophobicContact CG-CG 4.29Å; E142-K144 PolarHBondContact O-N 2.78Å; E142-K144 IonicContact OE1-NZ 3.29Å; E142-K144 PolarHBondContact OE1-NZ 3.02Å; K144-Y165 PolarHBondContact O-OH 3.09Å
145	Y	94.4	Very high	89.5	Confident	10 Å²	10	49.8 Å²	49.8	4%	0.039	29%	0.285	C	S	.	.			trans	-135.6	133.9	174.5	-167.9	-90.2	0	0	0	109.7	F50 Q147 A159 I160 R162 Y165 I191	F50-Y145 WeakPolarHBondContact CZ-O 3.5Å; Y145-Q147 WeakPolarHBondContact O-CG 3.29Å; Y145-Q147 PolarHBondContact O-N 3.47Å; Y145-A159 HydrophobicContact CE1-CB 3.9Å; Y145-A159 HydrophobicContact CE2-CB 4.47Å; Y145-A159 VanDerWaalsContact OH-CB 3.23Å; Y145-A159 WeakPolarHBondContact OH-CB 3.19Å; Y145-I160 WeakPolarHBondContact CE2-O 3.15Å; Y145-I160 PolarHBondContact OH-O 3.21Å; Y145-R162 HydrophobicContact CE1-CG 3.99Å; Y145-R162 HydrophobicContact CE2-CG 3.75Å; Y145-R162 VanDerWaalsContact CZ-CG 3.41Å; Y145-R162 VanDerWaalsContact OH-CG 3.29Å; Y145-R162 WeakPolarHBondContact OH-CG 3.4Å; Y145-R162 PolarHBondContact OH-NH1 3.09Å; Y145-Y165 AromaticContact CD2-CD1 3.96Å; Y145-Y165 HydrophobicContact CD2-CD1 3.96Å; Y145-Y165 HydrophobicContact CD2-CD2 4.31Å; Y145-Y165 HydrophobicContact CD2-CE1 4Å; Y145-Y165 HydrophobicContact CD2-CE2 4.34Å; Y145-Y165 HydrophobicContact CD2-CG 4.09Å; Y145-Y165 HydrophobicContact CE2-CD1 4.45Å; Y145-Y165 HydrophobicContact CE2-CD2 4.26Å; Y145-Y165 HydrophobicContact CE2-CG 4.14Å; Y145-I191 HydrophobicContact CD2-CD1 3.79Å; Y145-I191 HydrophobicContact CD2-CG1 4.36Å; Y145-I191 HydrophobicContact CE2-CD1 4.41Å; Y145-I191 HydrophobicContact CG-CD1 3.89Å; Y145-I191 HydrophobicContact CG-CG1 3.94Å
146	P	90.7	Very high	88.2	Confident	16 Å²	16	45.9 Å²	45.9	10%	0.104	26%	0.262	C	S	.	.			trans	-60.9	125.8	179.1	-24	34	0	0	0	112	F50 M80	F50-P146 HydrophobicContact CD1-CG 3.96Å; F50-P146 HydrophobicContact CE1-CG 3.9Å; M80-P146 HydrophobicContact CE-CG 4.25Å
147	Q	89.4	Confident	86.8	Confident	28 Å²	28	47 Å²	47	13%	0.131	26%	0.255	C	S	.	.			trans	-118.8	156.5	-179.9	-64.7	-172	82.5	0	0	111.1	Y145 F187 D188 Y218 M223	Y145-Q147 WeakPolarHBondContact O-CG 3.29Å; Y145-Q147 PolarHBondContact O-N 3.47Å; Q147-F187 PolarHBondContact NE2-O 2.96Å; Q147-D188 VanDerWaalsContact CD-CB 3.5Å; Q147-D188 HydrophobicContact CG-CB 3.99Å; Q147-Y218 HydrophobicContact CB-CD1 3.71Å; Q147-Y218 HydrophobicContact CB-CE1 3.85Å; Q147-Y218 HydrophobicContact CG-CE1 4.46Å; Q147-M223 PolarHBondContact OE1-SD 3.35Å
148	K	89.5	Confident	85.4	Confident	112 Å²	112	52.9 Å²	52.9	49%	0.487	28%	0.276	S	S	.	.			trans	-76	131.3	174.8	-66.7	178.1	171.2	-152	0	109.6	P153 A156 A219	K148-P153 WeakPolarHBondContact CD-O 3.45Å; K148-P153 WeakPolarHBondContact CE-O 3.09Å; K148-P153 PolarHBondContact NZ-O 3.39Å; K148-A156 HydrophobicContact CG-CB 3.56Å; K148-A219 HydrophobicContact CB-CB 4Å; K148-A219 WeakPolarHBondContact O-CB 3.41Å; K148-A219 PolarHBondContact O-N 2.84Å
149	M	90.3	Very high	84.5	Confident	54 Å²	54	54.6 Å²	54.6	27%	0.266	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-90.7	159.2	171.3	-54.4	-59	-170.6	0	0	110.3	S151 D152 E216 Y218	M149-S151 VanDerWaalsContact C-N 3.29Å; M149-S151 PolarHBondContact O-N 3.06Å; M149-D152 CarbonylContact O-C 3.54Å; M149-D152 PolarHBondContact O-N 3.27Å; M149-E216 VanDerWaalsContact CB-CD 3.5Å; M149-E216 HydrophobicContact CB-CG 4.22Å; M149-E216 WeakPolarHBondContact CB-OE1 3.23Å; M149-Y218 HydrophobicContact CE-CD1 4.12Å; M149-Y218 HydrophobicContact CE-CE1 3.6Å; M149-Y218 HydrophobicContact SD-CD1 3.51Å; M149-Y218 VanDerWaalsContact SD-CD1 3.51Å; M149-Y218 HydrophobicContact SD-CE1 3.64Å; M149-Y218 HydrophobicContact SD-CG 4.23Å
150	E	89.5	Confident	84.1	Confident	105 Å²	105	56.1 Å²	56.1	49%	0.491	30%	0.297	S	S	.	.	S	Bend	trans	-65	-33.7	178.6	-170.6	173.1	-171.6	0	0	111.6	R217	E150-R217 HydrophobicContact CB-CB 4.25Å; E150-R217 WeakPolarHBondContact CB-O 3.48Å; E150-R217 PolarHBondContact N-O 3.46Å; E150-R217 WeakPolarHBondContact OE2-CB 3.4Å; E150-R217 WeakPolarHBondContact OE2-CD 3.49Å
151	S	88.5	Confident	84	Confident	98 Å²	98	61.5 Å²	61.5	69%	0.685	32%	0.322	S	S	*	.	S	Bend	trans	-81.9	-19.5	176.2	84.4	0	0	0	0	113.9	M149 E216	M149-S151 VanDerWaalsContact C-N 3.29Å; M149-S151 PolarHBondContact O-N 3.06Å; S151-E216 WeakPolarHBondContact CA-OE1 3.31Å; S151-E216 WeakPolarHBondContact CB-OE1 3.45Å; S151-E216 PolarHBondContact N-OE1 3.18Å; S151-E216 VanDerWaalsContact OG-CD 3.27Å; S151-E216 PolarHBondContact OG-OE1 3.28Å
152	D	85.5	Confident	83.8	Confident	79 Å²	79	65.1 Å²	65.1	42%	0.422	34%	0.336	S	S	.	.			trans	-132.7	79.2	176.2	-175	9.3	0	0	0	112.5	M149 E154 G155	M149-D152 CarbonylContact O-C 3.54Å; M149-D152 PolarHBondContact O-N 3.27Å; D152-E154 PolarHBondContact O-N 3.04Å; D152-E154 PolarHBondContact OD1-N 2.74Å; D152-G155 VanDerWaalsContact CG-N 3.34Å; D152-G155 PolarHBondContact O-N 3.33Å; D152-G155 PolarHBondContact OD1-N 3.39Å; D152-G155 WeakPolarHBondContact OD2-CA 3.32Å; D152-G155 PolarHBondContact OD2-N 3.26Å
153	P	72.9	Confident	83.7	Confident	71 Å²	71	67.4 Å²	67.4	46%	0.461	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.3	177.3	-21	34.2	0	0	0	114.3	K148	K148-P153 WeakPolarHBondContact CD-O 3.45Å; K148-P153 WeakPolarHBondContact CE-O 3.09Å; K148-P153 PolarHBondContact NZ-O 3.39Å
154	E	73.1	Confident	83.6	Confident	142 Å²	142	70.1 Å²	70.1	66%	0.664	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-14	-178.8	-67.6	-170	-170.5	0	0	113.1	D152 A156 Q157	D152-E154 PolarHBondContact O-N 3.04Å; D152-E154 PolarHBondContact OD1-N 2.74Å; E154-A156 VanDerWaalsContact C-N 3.33Å; E154-A156 PolarHBondContact O-N 3.29Å; E154-Q157 VanDerWaalsContact O-CG 3.27Å; E154-Q157 WeakPolarHBondContact O-CG 3.43Å; E154-Q157 PolarHBondContact O-NE2 3.33Å; E154-Q157 VanDerWaalsContact O-NE2 3.08Å
155	G	67.4	Low	83.7	Confident	41 Å²	41	69.4 Å²	69.4	42%	0.423	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.6	-170.1	0	0	0	0	0	117.2	D152 Q157	D152-G155 VanDerWaalsContact CG-N 3.34Å; D152-G155 PolarHBondContact O-N 3.33Å; D152-G155 PolarHBondContact OD1-N 3.39Å; D152-G155 WeakPolarHBondContact OD2-CA 3.32Å; D152-G155 PolarHBondContact OD2-N 3.26Å; G155-Q157 PolarHBondContact O-N 3.23Å; G155-Q157 VanDerWaalsContact O-N 3.08Å
156	A	65.4	Low	83.9	Confident	23 Å²	23	68.9 Å²	68.9	19%	0.19	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	25.8	-176.2	0	0	0	0	0	114.7	K148 E154 Y158	K148-A156 HydrophobicContact CG-CB 3.56Å; E154-A156 VanDerWaalsContact C-N 3.33Å; E154-A156 PolarHBondContact O-N 3.29Å; A156-Y158 VanDerWaalsContact C-N 3.29Å; A156-Y158 PolarHBondContact O-N 2.85Å
157	Q	61.4	Low	84.3	Confident	131 Å²	131	71.5 Å²	71.5	61%	0.612	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-21	-172.7	-84.6	172.1	44.3	0	0	115	E154 G155	E154-Q157 VanDerWaalsContact O-CG 3.27Å; E154-Q157 WeakPolarHBondContact O-CG 3.43Å; E154-Q157 PolarHBondContact O-NE2 3.33Å; E154-Q157 VanDerWaalsContact O-NE2 3.08Å; G155-Q157 PolarHBondContact O-N 3.23Å; G155-Q157 VanDerWaalsContact O-N 3.08Å
158	Y	62.9	Low	84.7	Confident	160 Å²	160	74.6 Å²	74.6	63%	0.627	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	26.9	-172.4	-60	-72	0	0	0	113.9	N82 A156	N82-Y158 PolarHBondContact ND2-O 3.35Å; A156-Y158 VanDerWaalsContact C-N 3.29Å; A156-Y158 PolarHBondContact O-N 2.85Å
159	A	74.8	Confident	85.1	Confident	36 Å²	36	69.3 Å²	69.3	30%	0.298	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-82.5	129.5	-177	0	0	0	0	0	111.6	Y145	Y145-A159 HydrophobicContact CE1-CB 3.9Å; Y145-A159 HydrophobicContact CE2-CB 4.47Å; Y145-A159 VanDerWaalsContact OH-CB 3.23Å; Y145-A159 WeakPolarHBondContact OH-CB 3.19Å
160	I	85.5	Confident	85.5	Confident	32 Å²	32	67 Å²	67	16%	0.164	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-60.1	145.7	167.9	-64.8	166.9	0	0	0	108.3	L38 N82 Y145 R162 L164 Y165	L38-I160 HydrophobicContact CB-CD1 3.84Å; L38-I160 HydrophobicContact CD1-CD1 4.39Å; N82-I160 HydrophobicContact CB-CD1 4.34Å; Y145-I160 WeakPolarHBondContact CE2-O 3.15Å; Y145-I160 PolarHBondContact OH-O 3.21Å; I160-R162 PolarHBondContact O-N 2.85Å; I160-L164 HydrophobicContact CG2-CD2 4.33Å; I160-Y165 HydrophobicContact CB-CD2 3.88Å; I160-Y165 HydrophobicContact CD1-CD2 4.22Å; I160-Y165 HydrophobicContact CD1-CE2 4.33Å; I160-Y165 HydrophobicContact CG2-CD2 4.04Å
161	E	93.5	Very high	86	Confident	113 Å²	113	67.1 Å²	67.1	53%	0.528	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-55.2	129.1	177.8	-167.6	-71.2	125.4	0	0	110.5	N163 L164 Y165	E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.49Å; E161-N163 VanDerWaalsContact OE1-CB 3.23Å; E161-N163 WeakPolarHBondContact OE1-CB 3.34Å; E161-N163 PolarHBondContact OE1-N 3.34Å; E161-N163 WeakPolarHBondContact OE2-CA 3.33Å; E161-N163 WeakPolarHBondContact OE2-CB 3.43Å; E161-N163 PolarHBondContact OE2-N 3.22Å; E161-L164 PolarHBondContact O-N 3.09Å; E161-L164 PolarHBondContact OE2-N 2.72Å; E161-Y165 WeakPolarHBondContact O-CB 3.2Å; E161-Y165 PolarHBondContact O-N 3.06Å
162	R	94.4	Very high	86.5	Confident	77 Å²	77	63.6 Å²	63.6	29%	0.291	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-36	-167.7	-75.9	-176.6	166.5	76.3	-4.8	113.4	Y145 I160 Y165 M166 D188 I191 M194	Y145-R162 HydrophobicContact CE1-CG 3.99Å; Y145-R162 HydrophobicContact CE2-CG 3.75Å; Y145-R162 VanDerWaalsContact CZ-CG 3.41Å; Y145-R162 VanDerWaalsContact OH-CG 3.29Å; Y145-R162 WeakPolarHBondContact OH-CG 3.4Å; Y145-R162 PolarHBondContact OH-NH1 3.09Å; I160-R162 PolarHBondContact O-N 2.85Å; R162-Y165 WeakPolarHBondContact O-CB 3.19Å; R162-Y165 PolarHBondContact O-N 3Å; R162-M166 WeakPolarHBondContact O-CG 3.4Å; R162-M166 PolarHBondContact O-N 2.85Å; R162-D188 IonicContact CZ-OD2 3.66Å; R162-D188 IonicContact NE-OD2 3.95Å; R162-D188 IonicContact NH2-OD2 3.91Å; R162-D188 PolarHBondContact NH2-OD2 3.34Å; R162-I191 HydrophobicContact CG-CD1 4.3Å; R162-M194 HydrophobicContact CB-CE 4.37Å
163	N	96.3	Very high	87.1	Confident	68 Å²	68	59.9 Å²	59.9	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-66.1	-51.4	-178.6	-156.1	-46.4	0	0	0	110.9	E161 Y165 M166 D167 M194 K198	E161-N163 VanDerWaalsContact C-N 3.32Å; E161-N163 PolarHBondContact O-N 3.49Å; E161-N163 VanDerWaalsContact OE1-CB 3.23Å; E161-N163 WeakPolarHBondContact OE1-CB 3.34Å; E161-N163 PolarHBondContact OE1-N 3.34Å; E161-N163 WeakPolarHBondContact OE2-CA 3.33Å; E161-N163 WeakPolarHBondContact OE2-CB 3.43Å; E161-N163 PolarHBondContact OE2-N 3.22Å; N163-Y165 VanDerWaalsContact C-N 3.32Å; N163-Y165 PolarHBondContact O-N 3.31Å; N163-M166 PolarHBondContact O-N 3.05Å; N163-D167 VanDerWaalsContact O-CG 3.32Å; N163-D167 PolarHBondContact O-N 3.37Å; N163-D167 PolarHBondContact OD1-OD2 2.94Å; N163-M194 HydrophobicContact CB-CE 3.74Å; N163-K198 WeakPolarHBondContact OD1-CE 3.32Å; N163-K198 PolarHBondContact OD1-NZ 3.2Å
164	L	96.4	Very high	88.3	Confident	57 Å²	57	61.1 Å²	61.1	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-57.9	-44.7	172	177.9	62.7	0	0	0	111.7	E42 I160 E161 M166 D167 R168	E42-L164 WeakPolarHBondContact OE1-CD2 3.37Å; I160-L164 HydrophobicContact CG2-CD2 4.33Å; E161-L164 PolarHBondContact O-N 3.09Å; E161-L164 PolarHBondContact OE2-N 2.72Å; L164-M166 VanDerWaalsContact C-N 3.31Å; L164-M166 PolarHBondContact O-N 2.8Å; L164-D167 PolarHBondContact O-N 2.94Å; L164-R168 HydrophobicContact CD1-CG 4.38Å; L164-R168 WeakPolarHBondContact O-CG 3.47Å; L164-R168 PolarHBondContact O-N 2.82Å; L164-R168 VanDerWaalsContact O-N 3.12Å
165	Y	97.2	Very high	89.5	Confident	4 Å²	4	61 Å²	61	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-54.8	-49.4	-179.9	-164.2	-91.9	0	0	0	111.7	Q37 L38 V143 K144 Y145 I160 E161 R162 N163 I169	Q37-Y165 WeakPolarHBondContact CA-OH 3.25Å; Q37-Y165 VanDerWaalsContact CB-OH 3.23Å; Q37-Y165 WeakPolarHBondContact CB-OH 3.35Å; L38-Y165 HydrophobicContact CB-CD2 3.96Å; L38-Y165 HydrophobicContact CB-CE2 3.53Å; L38-Y165 HydrophobicContact CD1-CD2 3.47Å; L38-Y165 VanDerWaalsContact CD1-CD2 3.47Å; L38-Y165 HydrophobicContact CD1-CE2 3.93Å; L38-Y165 HydrophobicContact CD1-CG 3.91Å; L38-Y165 HydrophobicContact CG-CD1 4.48Å; L38-Y165 HydrophobicContact CG-CD2 3.53Å; L38-Y165 HydrophobicContact CG-CE1 4.39Å; L38-Y165 HydrophobicContact CG-CE2 3.43Å; L38-Y165 VanDerWaalsContact CG-CE2 3.43Å; L38-Y165 HydrophobicContact CG-CG 4.1Å; L38-Y165 PolarHBondContact N-OH 2.94Å; V143-Y165 HydrophobicContact CG1-CD1 4.4Å; V143-Y165 HydrophobicContact CG1-CE1 3.9Å; K144-Y165 PolarHBondContact O-OH 3.09Å; Y145-Y165 AromaticContact CD2-CD1 3.96Å; Y145-Y165 HydrophobicContact CD2-CD1 3.96Å; Y145-Y165 HydrophobicContact CD2-CD2 4.31Å; Y145-Y165 HydrophobicContact CD2-CE1 4Å; Y145-Y165 HydrophobicContact CD2-CE2 4.34Å; Y145-Y165 HydrophobicContact CD2-CG 4.09Å; Y145-Y165 HydrophobicContact CE2-CD1 4.45Å; Y145-Y165 HydrophobicContact CE2-CD2 4.26Å; Y145-Y165 HydrophobicContact CE2-CG 4.14Å; I160-Y165 HydrophobicContact CB-CD2 3.88Å; I160-Y165 HydrophobicContact CD1-CD2 4.22Å; I160-Y165 HydrophobicContact CD1-CE2 4.33Å; I160-Y165 HydrophobicContact CG2-CD2 4.04Å; E161-Y165 WeakPolarHBondContact O-CB 3.2Å; E161-Y165 PolarHBondContact O-N 3.06Å; R162-Y165 WeakPolarHBondContact O-CB 3.19Å; R162-Y165 PolarHBondContact O-N 3Å; N163-Y165 VanDerWaalsContact C-N 3.32Å; N163-Y165 PolarHBondContact O-N 3.31Å; Y165-I169 HydrophobicContact CD1-CD1 3.92Å; Y165-I169 HydrophobicContact CE1-CD1 3.69Å; Y165-I169 PolarHBondContact O-N 3.37Å
166	M	98.1	Very high	90.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-71.8	-36.7	-179.4	-71.6	-49.3	-42.7	0	0	113.1	V143 R162 N163 L164 R168 I169 L170 I191 M194 I195 K198	V143-M166 HydrophobicContact CG1-CE 4.48Å; V143-M166 HydrophobicContact CG1-SD 3.81Å; V143-M166 HydrophobicContact CG2-CE 4.34Å; R162-M166 WeakPolarHBondContact O-CG 3.4Å; R162-M166 PolarHBondContact O-N 2.85Å; N163-M166 PolarHBondContact O-N 3.05Å; L164-M166 VanDerWaalsContact C-N 3.31Å; L164-M166 PolarHBondContact O-N 2.8Å; M166-R168 VanDerWaalsContact C-N 3.29Å; M166-R168 PolarHBondContact O-N 2.78Å; M166-I169 HydrophobicContact CE-CB 4.49Å; M166-I169 PolarHBondContact O-N 3.29Å; M166-L170 HydrophobicContact CE-CG 4.28Å; M166-L170 WeakPolarHBondContact O-CB 3.17Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.28Å; M166-L170 PolarHBondContact O-N 3.22Å; M166-I191 HydrophobicContact CG-CD1 4.12Å; M166-I191 HydrophobicContact SD-CD1 3.92Å; M166-I191 HydrophobicContact SD-CG2 3.83Å; M166-M194 HydrophobicContact CG-CB 3.98Å; M166-I195 HydrophobicContact CE-CD1 3.95Å; M166-I195 HydrophobicContact CE-CG1 3.27Å; M166-I195 HydrophobicContact SD-CG1 4.11Å; M166-K198 HydrophobicContact CB-CD 4.04Å
167	D	98.3	Very high	92.4	Very high	70 Å²	70	60.2 Å²	60.2	37%	0.374	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-40.8	178.3	-76.4	-13.8	0	0	0	111.5	N163 L164 I169 L170 E171 K198	N163-D167 VanDerWaalsContact O-CG 3.32Å; N163-D167 PolarHBondContact O-N 3.37Å; N163-D167 PolarHBondContact OD1-OD2 2.94Å; L164-D167 PolarHBondContact O-N 2.94Å; D167-I169 PolarHBondContact O-N 3.2Å; D167-L170 PolarHBondContact O-N 2.77Å; D167-E171 VanDerWaalsContact O-CB 3.23Å; D167-E171 WeakPolarHBondContact O-CB 3.4Å; D167-E171 PolarHBondContact O-N 3.28Å; D167-K198 WeakPolarHBondContact OD1-CE 2.99Å; D167-K198 IonicContact OD1-NZ 3.22Å; D167-K198 PolarHBondContact OD1-NZ 3.35Å; D167-K198 IonicContact OD2-NZ 3.34Å
168	R	98.4	Very high	93.9	Very high	94 Å²	94	59 Å²	59	36%	0.355	28%	0.278	S	S	.	.	H	α-helix	trans	-61.6	-44.4	176.5	-66.8	-66	-175.4	-157.7	4.1	113.1	L38 E42 P44 L164 M166 E171 I172	L38-R168 HydrophobicContact CD1-CB 3.95Å; L38-R168 HydrophobicContact CD1-CG 4.11Å; L38-R168 HydrophobicContact CD2-CB 4.18Å; E42-R168 HydrophobicContact CB-CG 4.19Å; E42-R168 IonicContact OE2-CZ 2.72Å; E42-R168 VanDerWaalsContact OE2-CZ 3.28Å; E42-R168 IonicContact OE2-NE 3.61Å; E42-R168 PolarHBondContact OE2-NE 3.41Å; E42-R168 IonicContact OE2-NH2 3.2Å; E42-R168 PolarHBondContact OE2-NH2 3.31Å; P44-R168 HydrophobicContact CG-CB 4.4Å; L164-R168 HydrophobicContact CD1-CG 4.38Å; L164-R168 WeakPolarHBondContact O-CG 3.47Å; L164-R168 PolarHBondContact O-N 2.82Å; L164-R168 VanDerWaalsContact O-N 3.12Å; M166-R168 VanDerWaalsContact C-N 3.29Å; M166-R168 PolarHBondContact O-N 2.78Å; R168-E171 IonicContact NH1-OE2 3.04Å; R168-I172 PolarHBondContact O-N 2.97Å
169	I	98.7	Very high	95.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-68.3	-48.5	179.5	-63.7	173.8	0	0	0	110.1	V36 L38 P44 L126 V143 Y165 M166 D167 E171 I172 V173 F184	V36-I169 HydrophobicContact CG1-CD1 3.89Å; V36-I169 HydrophobicContact CG1-CG1 4.03Å; V36-I169 HydrophobicContact CG1-CG2 4.42Å; L38-I169 HydrophobicContact CD2-CD1 4.46Å; L38-I169 HydrophobicContact CD2-CG1 3.97Å; P44-I169 HydrophobicContact CB-CG1 4.31Å; P44-I169 HydrophobicContact CG-CG1 4.29Å; L126-I169 HydrophobicContact CD2-CG2 4.17Å; V143-I169 HydrophobicContact CG1-CD1 3.73Å; V143-I169 HydrophobicContact CG2-CD1 4.35Å; Y165-I169 HydrophobicContact CD1-CD1 3.92Å; Y165-I169 HydrophobicContact CE1-CD1 3.69Å; Y165-I169 PolarHBondContact O-N 3.37Å; M166-I169 HydrophobicContact CE-CB 4.49Å; M166-I169 PolarHBondContact O-N 3.29Å; D167-I169 PolarHBondContact O-N 3.2Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.8Å; I169-I172 PolarHBondContact O-N 2.61Å; I169-V173 HydrophobicContact CG2-CG2 4.35Å; I169-V173 WeakPolarHBondContact O-CG2 3.38Å; I169-V173 PolarHBondContact O-N 3.47Å; I169-F184 HydrophobicContact CG2-CE1 4.3Å
170	L	98.7	Very high	96.3	Very high	5 Å²	5	56.6 Å²	56.6	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-36.3	-178.6	-69.9	175.7	0	0	0	112.4	M166 D167 I172 V173 F174 F184 K198 Q199	M166-L170 HydrophobicContact CE-CG 4.28Å; M166-L170 WeakPolarHBondContact O-CB 3.17Å; M166-L170 VanDerWaalsContact O-CG 3.31Å; M166-L170 WeakPolarHBondContact O-CG 3.28Å; M166-L170 PolarHBondContact O-N 3.22Å; D167-L170 PolarHBondContact O-N 2.77Å; L170-I172 PolarHBondContact O-N 3.07Å; L170-V173 PolarHBondContact O-N 3.33Å; L170-F174 HydrophobicContact CB-CD2 4.47Å; L170-F174 HydrophobicContact CB-CE2 4.3Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 WeakPolarHBondContact O-CD2 3.36Å; L170-F174 VanDerWaalsContact O-CG 3.28Å; L170-F174 WeakPolarHBondContact O-CG 3.36Å; L170-F174 PolarHBondContact O-N 2.89Å; L170-F184 HydrophobicContact CD2-CE1 4.48Å; L170-F184 HydrophobicContact CD2-CE2 3.85Å; L170-F184 HydrophobicContact CD2-CZ 3.64Å; L170-K198 HydrophobicContact CD1-CB 3.57Å; L170-K198 HydrophobicContact CD1-CD 3.98Å; L170-K198 HydrophobicContact CD1-CG 4.42Å; L170-Q199 HydrophobicContact CD2-CG 4.06Å
171	E	98.5	Very high	96.7	Very high	109 Å²	109	56 Å²	56	51%	0.509	27%	0.265	S	S	.	.	H	α-helix	trans	-56.3	-49.6	175	-176.9	-179.7	178.5	0	0	111.2	D167 R168 I169 K175	D167-E171 VanDerWaalsContact O-CB 3.23Å; D167-E171 WeakPolarHBondContact O-CB 3.4Å; D167-E171 PolarHBondContact O-N 3.28Å; R168-E171 IonicContact NH1-OE2 3.04Å; I169-E171 VanDerWaalsContact C-N 3.33Å; I169-E171 PolarHBondContact O-N 2.8Å; E171-K175 VanDerWaalsContact O-CB 3.23Å; E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 PolarHBondContact O-N 3.28Å; E171-K175 VanDerWaalsContact O-N 3.08Å
172	I	98.5	Very high	96.9	Very high	24 Å²	24	50.8 Å²	50.8	12%	0.123	24%	0.24	C	C	.	.	H	α-helix	trans	-64.8	-46.1	178.2	-61.7	-58.2	0	0	0	111.1	P44 L126 E127 F130 R168 I169 L170 F174 K175 L176	P44-I172 HydrophobicContact CG-CG1 4.07Å; L126-I172 HydrophobicContact CB-CG2 4.17Å; L126-I172 HydrophobicContact CD2-CB 4.24Å; L126-I172 HydrophobicContact CD2-CG2 3.99Å; L126-I172 HydrophobicContact CG-CG2 3.89Å; E127-I172 HydrophobicContact CB-CG2 4.23Å; F130-I172 HydrophobicContact CD2-CG2 4.33Å; R168-I172 PolarHBondContact O-N 2.97Å; I169-I172 PolarHBondContact O-N 2.61Å; L170-I172 PolarHBondContact O-N 3.07Å; I172-F174 PolarHBondContact O-N 3.47Å; I172-K175 PolarHBondContact O-N 2.86Å; I172-L176 HydrophobicContact CG2-CD1 3.8Å; I172-L176 WeakPolarHBondContact O-CB 3.33Å; I172-L176 PolarHBondContact O-N 3.15Å
173	V	98.7	Very high	97	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.2	-45.2	-178.8	175.2	0	0	0	0	111.2	L126 F130 I141 I169 L170 K175 L176 A177 V182 F184 Y202	L126-V173 HydrophobicContact CD2-CG2 3.94Å; F130-V173 HydrophobicContact CE2-CB 4.5Å; F130-V173 HydrophobicContact CE2-CG2 3.96Å; F130-V173 HydrophobicContact CZ-CB 4.4Å; F130-V173 HydrophobicContact CZ-CG1 4.24Å; F130-V173 HydrophobicContact CZ-CG2 4.08Å; I141-V173 HydrophobicContact CD1-CG2 3.7Å; I169-V173 HydrophobicContact CG2-CG2 4.35Å; I169-V173 WeakPolarHBondContact O-CG2 3.38Å; I169-V173 PolarHBondContact O-N 3.47Å; L170-V173 PolarHBondContact O-N 3.33Å; V173-K175 VanDerWaalsContact C-N 3.32Å; V173-K175 PolarHBondContact O-N 3.05Å; V173-L176 PolarHBondContact O-N 3.41Å; V173-A177 HydrophobicContact CG1-CB 4.14Å; V173-A177 WeakPolarHBondContact O-CB 3.28Å; V173-A177 PolarHBondContact O-N 3.36Å; V173-V182 HydrophobicContact CG1-CG1 4.47Å; V173-F184 HydrophobicContact CB-CZ 4.12Å; V173-F184 HydrophobicContact CG1-CE2 4.46Å; V173-F184 HydrophobicContact CG1-CZ 3.84Å; V173-F184 HydrophobicContact CG2-CE1 4.09Å; V173-F184 HydrophobicContact CG2-CZ 3.88Å; V173-Y202 HydrophobicContact CG1-CD2 4.24Å; V173-Y202 HydrophobicContact CG1-CE2 3.69Å
174	F	98.1	Very high	97.1	Very high	97 Å²	97	43.9 Å²	43.9	43%	0.425	21%	0.209	S	C	.	.	H	α-helix	trans	-67.3	-34	178.5	-69.4	-28.1	0	0	0	113.5	L170 I172 Q199 Y202	L170-F174 HydrophobicContact CB-CD2 4.47Å; L170-F174 HydrophobicContact CB-CE2 4.3Å; L170-F174 WeakPolarHBondContact O-CB 3.33Å; L170-F174 WeakPolarHBondContact O-CD2 3.36Å; L170-F174 VanDerWaalsContact O-CG 3.28Å; L170-F174 WeakPolarHBondContact O-CG 3.36Å; L170-F174 PolarHBondContact O-N 2.89Å; I172-F174 PolarHBondContact O-N 3.47Å; F174-Q199 HydrophobicContact CE1-CB 4.1Å; F174-Q199 HydrophobicContact CE2-CB 4.4Å; F174-Q199 HydrophobicContact CZ-CB 3.42Å; F174-Q199 VanDerWaalsContact CZ-CB 3.42Å; F174-Q199 HydrophobicContact CZ-CG 4.25Å; F174-Y202 AromaticContact CD1-CE2 4Å; F174-Y202 HydrophobicContact CD1-CE2 4Å; F174-Y202 HydrophobicContact CE1-CD2 4.29Å; F174-Y202 AromaticContact CE1-CE2 3.99Å; F174-Y202 HydrophobicContact CE1-CE2 3.99Å
175	K	97.9	Very high	97.2	Very high	141 Å²	141	41.1 Å²	41.1	61%	0.613	20%	0.195	S	C	*	.	H	α-helix	trans	-69.9	-36	178	-175.6	-177.3	177.5	-172.4	0	112.6	E171 I172 V173	E171-K175 VanDerWaalsContact O-CB 3.23Å; E171-K175 WeakPolarHBondContact O-CB 3.47Å; E171-K175 PolarHBondContact O-N 3.28Å; E171-K175 VanDerWaalsContact O-N 3.08Å; I172-K175 PolarHBondContact O-N 2.86Å; V173-K175 VanDerWaalsContact C-N 3.32Å; V173-K175 PolarHBondContact O-N 3.05Å
176	L	98	Very high	97.3	Very high	43 Å²	43	41 Å²	41	23%	0.225	19%	0.194	C	C	.	.	H	α-helix	trans	-117.5	-21.4	-165.1	-59.8	177.7	0	0	0	115.6	E127 F130 I172 V173 D178	E127-L176 HydrophobicContact CB-CD1 3.74Å; E127-L176 HydrophobicContact CG-CD1 3.65Å; F130-L176 HydrophobicContact CB-CB 3.82Å; F130-L176 HydrophobicContact CB-CD1 4Å; F130-L176 HydrophobicContact CD1-CB 4.25Å; F130-L176 HydrophobicContact CD2-CB 4.11Å; F130-L176 HydrophobicContact CD2-CD1 4.36Å; F130-L176 HydrophobicContact CG-CB 3.81Å; F130-L176 HydrophobicContact CG-CD1 4.45Å; I172-L176 HydrophobicContact CG2-CD1 3.8Å; I172-L176 WeakPolarHBondContact O-CB 3.33Å; I172-L176 PolarHBondContact O-N 3.15Å; V173-L176 PolarHBondContact O-N 3.41Å; L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.02Å
177	A	96.5	Very high	97.2	Very high	3 Å²	3	42 Å²	42	3%	0.025	20%	0.199	C	C	.	.			trans	-68.2	-30.3	-176.6	0	0	0	0	0	112.9	F130 V173 Q179 R180 V182 Y202	F130-A177 HydrophobicContact CD1-CB 4.5Å; F130-A177 HydrophobicContact CE1-CB 3.66Å; F130-A177 HydrophobicContact CZ-CB 4.07Å; V173-A177 HydrophobicContact CG1-CB 4.14Å; V173-A177 WeakPolarHBondContact O-CB 3.28Å; V173-A177 PolarHBondContact O-N 3.36Å; A177-Q179 PolarHBondContact O-N 2.89Å; A177-R180 WeakPolarHBondContact O-CA 3.25Å; A177-R180 WeakPolarHBondContact O-CB 3.41Å; A177-R180 PolarHBondContact O-N 3.28Å; A177-V182 HydrophobicContact CB-CG2 4.01Å; A177-Y202 VanDerWaalsContact CB-OH 3.24Å; A177-Y202 WeakPolarHBondContact CB-OH 3.21Å
178	D	92.6	Very high	97.1	Very high	107 Å²	107	38.8 Å²	38.8	57%	0.572	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.5	-109.2	-177.3	-175.5	19.3	0	0	0	112.7	L176 K201	L176-D178 VanDerWaalsContact C-N 3.31Å; L176-D178 PolarHBondContact O-N 3.02Å; D178-K201 PolarHBondContact O-NZ 2.83Å
179	Q	93.3	Very high	97.1	Very high	134 Å²	134	34.3 Å²	34.3	63%	0.626	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.8	177.9	-56.4	-51.6	-59.8	0	0	113.9	A177 S181	A177-Q179 PolarHBondContact O-N 2.89Å; Q179-S181 PolarHBondContact O-N 2.88Å
180	R	94.5	Very high	97	Very high	10 Å²	10	36.9 Å²	36.9	4%	0.038	18%	0.178	C	C	.	.			trans	-60.2	134.3	177.7	-170.6	-176.2	-61.6	-89.5	4.5	109.8	F130 L133 P134 L137 F139 A177 V182	F130-R180 PolarHBondContact O-NH2 3.49Å; L133-R180 PolarHBondContact O-NH2 3.41Å; P134-R180 PolarHBondContact O-NH1 2.65Å; P134-R180 PolarHBondContact O-NH2 3.19Å; L137-R180 WeakPolarHBondContact O-CD 3.34Å; L137-R180 VanDerWaalsContact O-CG 3.23Å; L137-R180 WeakPolarHBondContact O-CG 3.23Å; L137-R180 PolarHBondContact O-NH1 2.89Å; F139-R180 VanDerWaalsContact CE1-NH1 3.25Å; A177-R180 WeakPolarHBondContact O-CA 3.25Å; A177-R180 WeakPolarHBondContact O-CB 3.41Å; A177-R180 PolarHBondContact O-N 3.28Å; R180-V182 PolarHBondContact O-N 3.43Å
181	S	95.1	Very high	96.9	Very high	21 Å²	21	36.7 Å²	36.7	15%	0.147	18%	0.177	C	C	.	.			trans	-70.9	123.5	170.8	-63.1	0	0	0	0	109.4	G138 F139 Q179	G138-S181 CarbonylContact C-O 3.58Å; G138-S181 VanDerWaalsContact CA-O 3.23Å; G138-S181 WeakPolarHBondContact CA-O 3.43Å; F139-S181 PolarHBondContact N-O 3.05Å; Q179-S181 PolarHBondContact O-N 2.88Å
182	V	96.6	Very high	96.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	135.5	178.4	179.3	0	0	0	0	109	F139 I141 V173 A177 R180 F184 Y202 P203	F139-V182 HydrophobicContact CB-CG2 4.47Å; F139-V182 CarbonylContact O-C 3.56Å; F139-V182 VanDerWaalsContact O-CA 3.28Å; F139-V182 WeakPolarHBondContact O-CA 3.49Å; I141-V182 HydrophobicContact CD1-CG1 3.79Å; I141-V182 HydrophobicContact CG1-CG1 4.18Å; V173-V182 HydrophobicContact CG1-CG1 4.47Å; A177-V182 HydrophobicContact CB-CG2 4.01Å; R180-V182 PolarHBondContact O-N 3.43Å; V182-F184 HydrophobicContact CG1-CE2 4.42Å; V182-F184 HydrophobicContact CG1-CZ 4.49Å; V182-Y202 HydrophobicContact CB-CD1 3.64Å; V182-Y202 HydrophobicContact CB-CD2 4.43Å; V182-Y202 HydrophobicContact CB-CE1 3.85Å; V182-Y202 HydrophobicContact CB-CG 3.94Å; V182-Y202 HydrophobicContact CG1-CG 4.34Å; V182-Y202 HydrophobicContact CG2-CD1 4.41Å; V182-Y202 HydrophobicContact CG2-CE1 4.1Å; V182-P203 WeakPolarHBondContact O-CD 2.92Å
183	I	97.5	Very high	96.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	132.6	164.3	-62.3	167.9	0	0	0	105.5	F17 I23 F31 F139 N140 I141 P203 L205 L239 F266	F17-I183 HydrophobicContact CE1-CD1 4.19Å; F17-I183 HydrophobicContact CZ-CD1 4.04Å; I23-I183 HydrophobicContact CD1-CD1 4.32Å; I23-I183 HydrophobicContact CD1-CG1 4.48Å; F31-I183 HydrophobicContact CD1-CD1 4.22Å; F31-I183 HydrophobicContact CE1-CB 4.32Å; F31-I183 HydrophobicContact CE1-CD1 3.64Å; F31-I183 HydrophobicContact CE1-CG1 3.73Å; F31-I183 HydrophobicContact CZ-CD1 4.01Å; F31-I183 HydrophobicContact CZ-CG1 4.21Å; F139-I183 PolarHBondContact O-N 3.36Å; N140-I183 CarbonylContact C-O 3.53Å; N140-I183 VanDerWaalsContact CA-O 3.27Å; N140-I183 WeakPolarHBondContact CA-O 3.45Å; N140-I183 PolarHBondContact OD1-O 3.28Å; I141-I183 PolarHBondContact N-O 3.11Å; I183-P203 HydrophobicContact CB-CG 4.46Å; I183-P203 HydrophobicContact CG1-CG 3.9Å; I183-L205 HydrophobicContact CG2-CB 4.1Å; I183-L239 HydrophobicContact CG2-CD2 4.44Å; I183-F266 HydrophobicContact CD1-CZ 4.18Å
184	F	98.6	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	147.5	165.2	-73.9	-73.5	0	0	0	109.6	I141 V143 I169 L170 V173 V182 I195 Y202 P203 V204 L205	I141-F184 HydrophobicContact CB-CD1 3.91Å; I141-F184 HydrophobicContact CB-CE1 4.11Å; I141-F184 HydrophobicContact CD1-CE1 4.12Å; I141-F184 HydrophobicContact CG2-CD1 4.13Å; I141-F184 HydrophobicContact CG2-CE1 4.12Å; V143-F184 HydrophobicContact CG2-CD1 4.08Å; I169-F184 HydrophobicContact CG2-CE1 4.3Å; L170-F184 HydrophobicContact CD2-CE1 4.48Å; L170-F184 HydrophobicContact CD2-CE2 3.85Å; L170-F184 HydrophobicContact CD2-CZ 3.64Å; V173-F184 HydrophobicContact CB-CZ 4.12Å; V173-F184 HydrophobicContact CG1-CE2 4.46Å; V173-F184 HydrophobicContact CG1-CZ 3.84Å; V173-F184 HydrophobicContact CG2-CE1 4.09Å; V173-F184 HydrophobicContact CG2-CZ 3.88Å; V182-F184 HydrophobicContact CG1-CE2 4.42Å; V182-F184 HydrophobicContact CG1-CZ 4.49Å; F184-I195 HydrophobicContact CB-CD1 4.06Å; F184-I195 HydrophobicContact CB-CG2 4.04Å; F184-I195 HydrophobicContact CD2-CG2 3.58Å; F184-I195 HydrophobicContact CE2-CG2 4.17Å; F184-I195 HydrophobicContact CG-CD1 4.38Å; F184-I195 HydrophobicContact CG-CG2 3.87Å; F184-Y202 AromaticContact CE2-CD2 3.88Å; F184-Y202 HydrophobicContact CE2-CD2 3.88Å; F184-Y202 HydrophobicContact CE2-CG 4.38Å; F184-P203 PolarHBondContact N-O 2.96Å; F184-V204 HydrophobicContact CB-CG2 4.42Å; F184-V204 CarbonylContact O-C 3.5Å; F184-V204 WeakPolarHBondContact O-CA 3.23Å; F184-L205 PolarHBondContact O-N 3.29Å
185	S	98.5	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.4	168.6	63.3	0	0	0	0	111.3	N140 I141 E142 V143 L205	N140-S185 WeakPolarHBondContact OD1-CB 3.49Å; N140-S185 PolarHBondContact OD1-OG 3.21Å; I141-S185 PolarHBondContact O-N 3.1Å; E142-S185 CarbonylContact C-O 3.53Å; E142-S185 WeakPolarHBondContact CA-O 3.26Å; E142-S185 WeakPolarHBondContact CA-OG 3.5Å; V143-S185 PolarHBondContact N-O 3.07Å; S185-L205 WeakPolarHBondContact CA-O 3.31Å; S185-L205 WeakPolarHBondContact CB-O 3.39Å
186	S	98.2	Very high	96.9	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	150.2	171.7	-169	0	0	0	0	110.5	V143 D188 L205 F206 L207	V143-S186 WeakPolarHBondContact O-CB 3.49Å; V143-S186 PolarHBondContact O-OG 3.1Å; S186-D188 PolarHBondContact OG-N 2.98Å; S186-D188 VanDerWaalsContact OG-N 3.07Å; S186-L205 PolarHBondContact N-O 2.94Å; S186-F206 WeakPolarHBondContact O-CD2 3.23Å; S186-L207 PolarHBondContact O-N 2.9Å
187	F	96.4	Very high	96.9	Very high	21 Å²	21	30.5 Å²	30.5	9%	0.092	16%	0.156	C	C	.	.	S	Bend	trans	-76.2	-24.2	164.4	-74.2	-79.2	0	0	0	112.2	E142 Q147 P189 F206 L207 M223 W268	E142-F187 WeakPolarHBondContact OE1-CD2 3.25Å; E142-F187 WeakPolarHBondContact OE1-CE2 3.32Å; Q147-F187 PolarHBondContact NE2-O 2.96Å; F187-P189 WeakPolarHBondContact O-CD 3.32Å; F187-F206 WeakPolarHBondContact O-CE2 3.05Å; F187-L207 HydrophobicContact CD1-CB 3.55Å; F187-L207 WeakPolarHBondContact CD1-O 3.06Å; F187-L207 HydrophobicContact CD2-CB 3.9Å; F187-L207 HydrophobicContact CD2-CD1 3.63Å; F187-L207 HydrophobicContact CD2-CG 4.41Å; F187-L207 HydrophobicContact CE1-CB 3.51Å; F187-L207 HydrophobicContact CE2-CB 3.86Å; F187-L207 HydrophobicContact CE2-CD1 3.48Å; F187-L207 VanDerWaalsContact CE2-CD1 3.48Å; F187-L207 HydrophobicContact CE2-CG 4.31Å; F187-L207 HydrophobicContact CG-CB 3.75Å; F187-L207 HydrophobicContact CG-CD1 4.29Å; F187-L207 HydrophobicContact CZ-CB 3.66Å; F187-L207 HydrophobicContact CZ-CD1 4.03Å; F187-L207 HydrophobicContact CZ-CG 4.45Å; F187-M223 HydrophobicContact CB-CE 3.83Å; F187-M223 HydrophobicContact CD1-CE 4.32Å; F187-M223 WeakPolarHBondContact O-CE 3.25Å; F187-W268 AromaticContact CE1-CE2 3.99Å; F187-W268 AromaticContact CE1-CH2 3.96Å; F187-W268 HydrophobicContact CE1-CH2 3.96Å; F187-W268 AromaticContact CE1-CZ2 3.39Å; F187-W268 HydrophobicContact CE1-CZ2 3.39Å; F187-W268 HydrophobicContact CZ-CD2 4.38Å; F187-W268 AromaticContact CZ-CE2 3.69Å; F187-W268 AromaticContact CZ-CH2 3.53Å; F187-W268 HydrophobicContact CZ-CH2 3.53Å; F187-W268 AromaticContact CZ-CZ2 3.27Å; F187-W268 HydrophobicContact CZ-CZ2 3.27Å; F187-W268 HydrophobicContact CZ-CZ3 4.19Å
188	D	96	Very high	97	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.011	17%	0.168	C	C	.	.			trans	-82.4	119.8	-178.6	-178.4	-53.8	0	0	0	109.9	Q147 R162 S186 D190 I191 C192	Q147-D188 VanDerWaalsContact CD-CB 3.5Å; Q147-D188 HydrophobicContact CG-CB 3.99Å; R162-D188 IonicContact CZ-OD2 3.66Å; R162-D188 IonicContact NE-OD2 3.95Å; R162-D188 IonicContact NH2-OD2 3.91Å; R162-D188 PolarHBondContact NH2-OD2 3.34Å; S186-D188 PolarHBondContact OG-N 2.98Å; S186-D188 VanDerWaalsContact OG-N 3.07Å; D188-D190 VanDerWaalsContact C-N 3.33Å; D188-D190 PolarHBondContact O-N 3.41Å; D188-D190 VanDerWaalsContact OD1-CA 3.31Å; D188-D190 WeakPolarHBondContact OD1-CA 3.47Å; D188-D190 WeakPolarHBondContact OD1-CB 3.43Å; D188-D190 PolarHBondContact OD1-N 2.73Å; D188-I191 HydrophobicContact CB-CB 3.88Å; D188-I191 HydrophobicContact CB-CG1 3.65Å; D188-I191 PolarHBondContact O-N 3.38Å; D188-I191 PolarHBondContact OD1-N 3.46Å; D188-C192 PolarHBondContact O-N 2.57Å; D188-C192 PolarHBondContact O-SG 3.38Å; D188-C192 VanDerWaalsContact O-SG 3.39Å
189	P	97.4	Very high	97.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-36	-179.1	25	-33.8	0	0	0	112.2	F187 C192 L193 F206 R222 M223 F232	F187-P189 WeakPolarHBondContact O-CD 3.32Å; P189-C192 WeakPolarHBondContact O-CB 3.38Å; P189-C192 PolarHBondContact O-N 3.01Å; P189-L193 WeakPolarHBondContact O-CG 3.44Å; P189-L193 PolarHBondContact O-N 3.35Å; P189-F206 HydrophobicContact CB-CE2 4.11Å; P189-F206 HydrophobicContact CB-CZ 4.18Å; P189-R222 HydrophobicContact CB-CB 4.44Å; P189-R222 HydrophobicContact CG-CB 4.32Å; P189-R222 VanDerWaalsContact CG-CZ 3.41Å; P189-M223 HydrophobicContact CG-CG 4.45Å; P189-F232 HydrophobicContact CB-CE1 3.88Å; P189-F232 HydrophobicContact CB-CE2 3.94Å; P189-F232 HydrophobicContact CB-CZ 3.5Å; P189-F232 VanDerWaalsContact CB-CZ 3.5Å; P189-F232 WeakPolarHBondContact O-CZ 3.38Å
190	D	97	Very high	97.3	Very high	55 Å²	55	30.3 Å²	30.3	29%	0.294	16%	0.155	S	C	.	.	H	α-helix	trans	-70.4	-35.5	178.3	-64.4	-24.8	0	0	0	111.1	D188 L193 M194 R222	D188-D190 VanDerWaalsContact C-N 3.33Å; D188-D190 PolarHBondContact O-N 3.41Å; D188-D190 VanDerWaalsContact OD1-CA 3.31Å; D188-D190 WeakPolarHBondContact OD1-CA 3.47Å; D188-D190 WeakPolarHBondContact OD1-CB 3.43Å; D188-D190 PolarHBondContact OD1-N 2.73Å; D190-L193 PolarHBondContact O-N 2.55Å; D190-M194 WeakPolarHBondContact O-CB 3.39Å; D190-M194 WeakPolarHBondContact O-CG 3.15Å; D190-M194 PolarHBondContact O-N 2.9Å; D190-R222 VanDerWaalsContact CG-NH2 3.34Å; D190-R222 IonicContact OD1-CZ 3.62Å; D190-R222 VanDerWaalsContact OD1-CZ 3.27Å; D190-R222 IonicContact OD1-NH1 2.66Å; D190-R222 PolarHBondContact OD1-NH1 3.48Å; D190-R222 IonicContact OD1-NH2 3.82Å; D190-R222 PolarHBondContact OD1-NH2 2.91Å; D190-R222 IonicContact OD2-NH2 3.78Å; D190-R222 PolarHBondContact OD2-NH2 3.49Å
191	I	98	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-44.7	170.8	-66.4	-64.8	0	0	0	110.9	V143 Y145 R162 M166 D188 L193 M194 I195	V143-I191 HydrophobicContact CB-CG2 3.89Å; V143-I191 HydrophobicContact CG1-CG2 3.73Å; Y145-I191 HydrophobicContact CD2-CD1 3.79Å; Y145-I191 HydrophobicContact CD2-CG1 4.36Å; Y145-I191 HydrophobicContact CE2-CD1 4.41Å; Y145-I191 HydrophobicContact CG-CD1 3.89Å; Y145-I191 HydrophobicContact CG-CG1 3.94Å; R162-I191 HydrophobicContact CG-CD1 4.3Å; M166-I191 HydrophobicContact CG-CD1 4.12Å; M166-I191 HydrophobicContact SD-CD1 3.92Å; M166-I191 HydrophobicContact SD-CG2 3.83Å; D188-I191 HydrophobicContact CB-CB 3.88Å; D188-I191 HydrophobicContact CB-CG1 3.65Å; D188-I191 PolarHBondContact O-N 3.38Å; D188-I191 PolarHBondContact OD1-N 3.46Å; I191-L193 VanDerWaalsContact C-N 3.32Å; I191-L193 PolarHBondContact O-N 3.13Å; I191-M194 PolarHBondContact O-N 3.44Å; I191-I195 HydrophobicContact CG2-CD1 3.74Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CD1 3.31Å; I191-I195 VanDerWaalsContact O-CG1 3.28Å; I191-I195 WeakPolarHBondContact O-CG1 3.19Å; I191-I195 PolarHBondContact O-N 3.12Å
192	C	98.6	Very high	97.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-57.2	-44.9	175	-68.8	0	0	0	0	112	D188 P189 Q196 V204 F232 L238	D188-C192 PolarHBondContact O-N 2.57Å; D188-C192 PolarHBondContact O-SG 3.38Å; D188-C192 VanDerWaalsContact O-SG 3.39Å; P189-C192 WeakPolarHBondContact O-CB 3.38Å; P189-C192 PolarHBondContact O-N 3.01Å; C192-Q196 WeakPolarHBondContact O-CB 3.42Å; C192-Q196 PolarHBondContact O-N 3.42Å; C192-V204 HydrophobicContact CB-CG1 4.05Å; C192-F232 HydrophobicContact CB-CE1 4.37Å; C192-L238 HydrophobicContact CB-CD1 4.02Å
193	L	98	Very high	97.6	Very high	39 Å²	39	36.5 Å²	36.5	20%	0.204	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-42.6	176.3	-63.5	-178.8	0	0	0	112.1	P189 D190 I191 I195 Q196 L197 F232 N236	P189-L193 WeakPolarHBondContact O-CG 3.44Å; P189-L193 PolarHBondContact O-N 3.35Å; D190-L193 PolarHBondContact O-N 2.55Å; I191-L193 VanDerWaalsContact C-N 3.32Å; I191-L193 PolarHBondContact O-N 3.13Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 2.51Å; L193-Q196 PolarHBondContact O-N 3.39Å; L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 VanDerWaalsContact O-CG 3.24Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.89Å; L193-F232 HydrophobicContact CD1-CE2 4.23Å; L193-F232 HydrophobicContact CD1-CZ 4.35Å; L193-F232 HydrophobicContact CD2-CE2 4.12Å; L193-F232 HydrophobicContact CD2-CZ 3.86Å; L193-F232 HydrophobicContact CG-CE2 4.23Å; L193-F232 HydrophobicContact CG-CZ 3.89Å; L193-N236 HydrophobicContact CD2-CB 3.51Å; L193-N236 VanDerWaalsContact CD2-OD1 3.23Å; L193-N236 WeakPolarHBondContact CD2-OD1 2.91Å
194	M	98.1	Very high	97.7	Very high	38 Å²	38	36.5 Å²	36.5	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-61.4	-43.7	179.7	-73.1	-73.9	-79.6	0	0	111.2	R162 N163 M166 D190 I191 L197 K198	R162-M194 HydrophobicContact CB-CE 4.37Å; N163-M194 HydrophobicContact CB-CE 3.74Å; M166-M194 HydrophobicContact CG-CB 3.98Å; D190-M194 WeakPolarHBondContact O-CB 3.39Å; D190-M194 WeakPolarHBondContact O-CG 3.15Å; D190-M194 PolarHBondContact O-N 2.9Å; I191-M194 PolarHBondContact O-N 3.44Å; M194-L197 PolarHBondContact O-N 3.49Å; M194-K198 HydrophobicContact CE-CD 4.49Å; M194-K198 WeakPolarHBondContact O-CB 3.44Å; M194-K198 WeakPolarHBondContact O-CD 3.34Å; M194-K198 WeakPolarHBondContact O-CG 3.48Å; M194-K198 PolarHBondContact O-N 2.99Å
195	I	98.5	Very high	97.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-50.7	173.8	-60.8	156.3	0	0	0	109.5	V143 M166 F184 I191 L193 L197 K198 Q199 V204	V143-I195 HydrophobicContact CG2-CD1 4.12Å; M166-I195 HydrophobicContact CE-CD1 3.95Å; M166-I195 HydrophobicContact CE-CG1 3.27Å; M166-I195 HydrophobicContact SD-CG1 4.11Å; F184-I195 HydrophobicContact CB-CD1 4.06Å; F184-I195 HydrophobicContact CB-CG2 4.04Å; F184-I195 HydrophobicContact CD2-CG2 3.58Å; F184-I195 HydrophobicContact CE2-CG2 4.17Å; F184-I195 HydrophobicContact CG-CD1 4.38Å; F184-I195 HydrophobicContact CG-CG2 3.87Å; I191-I195 HydrophobicContact CG2-CD1 3.74Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CD1 3.31Å; I191-I195 VanDerWaalsContact O-CG1 3.28Å; I191-I195 WeakPolarHBondContact O-CG1 3.19Å; I191-I195 PolarHBondContact O-N 3.12Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 2.51Å; I195-L197 PolarHBondContact O-N 3.45Å; I195-K198 PolarHBondContact O-N 3.05Å; I195-Q199 HydrophobicContact CG2-CG 4.15Å; I195-Q199 WeakPolarHBondContact O-CG 3.49Å; I195-Q199 PolarHBondContact O-N 3.47Å; I195-V204 HydrophobicContact CB-CG2 3.98Å; I195-V204 HydrophobicContact CG2-CG2 3.45Å; I195-V204 VanDerWaalsContact CG2-CG2 3.45Å
196	Q	97.6	Very high	97.6	Very high	62 Å²	62	36.5 Å²	36.5	29%	0.29	18%	0.182	S	C	.	.	H	α-helix	trans	-60	-32.7	-178	-171.5	68.3	6.4	0	0	113.5	C192 L193 Q199 G237 L238	C192-Q196 WeakPolarHBondContact O-CB 3.42Å; C192-Q196 PolarHBondContact O-N 3.42Å; L193-Q196 PolarHBondContact O-N 3.39Å; Q196-Q199 VanDerWaalsContact O-O 3.08Å; Q196-G237 PolarHBondContact NE2-O 3.02Å; Q196-L238 HydrophobicContact CB-CD2 4.04Å; Q196-L238 HydrophobicContact CG-CD2 4.06Å
197	L	97.7	Very high	97.6	Very high	146 Å²	146	36.6 Å²	36.6	76%	0.764	18%	0.183	S	C	*	.	H	α-helix	trans	-85.8	-30.5	-179.7	-69.8	171.4	0	0	0	113.3	L193 M194 I195	L193-L197 WeakPolarHBondContact O-CB 3.4Å; L193-L197 VanDerWaalsContact O-CG 3.24Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.89Å; M194-L197 PolarHBondContact O-N 3.49Å; I195-L197 PolarHBondContact O-N 3.45Å
198	K	98.4	Very high	97.7	Very high	63 Å²	63	35.6 Å²	35.6	27%	0.274	18%	0.179	S	C	.	.	H	α-helix	trans	-84.1	-17.3	-177.3	-74.1	174.6	166.2	-70.9	0	113.4	N163 M166 D167 L170 M194 I195	N163-K198 WeakPolarHBondContact OD1-CE 3.32Å; N163-K198 PolarHBondContact OD1-NZ 3.2Å; M166-K198 HydrophobicContact CB-CD 4.04Å; D167-K198 WeakPolarHBondContact OD1-CE 2.99Å; D167-K198 IonicContact OD1-NZ 3.22Å; D167-K198 PolarHBondContact OD1-NZ 3.35Å; D167-K198 IonicContact OD2-NZ 3.34Å; L170-K198 HydrophobicContact CD1-CB 3.57Å; L170-K198 HydrophobicContact CD1-CD 3.98Å; L170-K198 HydrophobicContact CD1-CG 4.42Å; M194-K198 HydrophobicContact CE-CD 4.49Å; M194-K198 WeakPolarHBondContact O-CB 3.44Å; M194-K198 WeakPolarHBondContact O-CD 3.34Å; M194-K198 WeakPolarHBondContact O-CG 3.48Å; M194-K198 PolarHBondContact O-N 2.99Å; I195-K198 PolarHBondContact O-N 3.05Å
199	Q	97.3	Very high	97.6	Very high	13 Å²	13	35.9 Å²	35.9	6%	0.061	18%	0.18	C	C	.	.			trans	-148.6	160	-178.3	68.5	73.4	48.2	0	0	113.2	L170 F174 I195 Q196 Y202	L170-Q199 HydrophobicContact CD2-CG 4.06Å; F174-Q199 HydrophobicContact CE1-CB 4.1Å; F174-Q199 HydrophobicContact CE2-CB 4.4Å; F174-Q199 HydrophobicContact CZ-CB 3.42Å; F174-Q199 VanDerWaalsContact CZ-CB 3.42Å; F174-Q199 HydrophobicContact CZ-CG 4.25Å; I195-Q199 HydrophobicContact CG2-CG 4.15Å; I195-Q199 WeakPolarHBondContact O-CG 3.49Å; I195-Q199 PolarHBondContact O-N 3.47Å; Q196-Q199 VanDerWaalsContact O-O 3.08Å; Q199-Y202 PolarHBondContact NE2-O 3.27Å; Q199-Y202 PolarHBondContact OE1-O 3.23Å
200	N	95.6	Very high	97.3	Very high	164 Å²	164	36 Å²	36	88%	0.877	18%	0.181	S	C	*	.	S	Bend	trans	-133.4	15.6	179.5	67.5	-10.6	0	0	0	113.4
201	K	96.7	Very high	97	Very high	111 Å²	111	35.9 Å²	35.9	48%	0.483	18%	0.18	S	C	.	.	S	Bend	trans	-94.5	-39.7	-175.8	-174.3	176.4	177.7	-165.9	0	112.5	D178	D178-K201 PolarHBondContact O-NZ 2.83Å
202	Y	97.9	Very high	96.5	Very high	17 Å²	17	36.2 Å²	36.2	7%	0.067	18%	0.183	C	C	.	.	S	Bend	trans	-118.5	138.3	-171.6	-54.4	-61.5	0	0	0	111.1	V173 F174 A177 V182 F184 Q199	V173-Y202 HydrophobicContact CG1-CD2 4.24Å; V173-Y202 HydrophobicContact CG1-CE2 3.69Å; F174-Y202 AromaticContact CD1-CE2 4Å; F174-Y202 HydrophobicContact CD1-CE2 4Å; F174-Y202 HydrophobicContact CE1-CD2 4.29Å; F174-Y202 AromaticContact CE1-CE2 3.99Å; F174-Y202 HydrophobicContact CE1-CE2 3.99Å; A177-Y202 VanDerWaalsContact CB-OH 3.24Å; A177-Y202 WeakPolarHBondContact CB-OH 3.21Å; V182-Y202 HydrophobicContact CB-CD1 3.64Å; V182-Y202 HydrophobicContact CB-CD2 4.43Å; V182-Y202 HydrophobicContact CB-CE1 3.85Å; V182-Y202 HydrophobicContact CB-CG 3.94Å; V182-Y202 HydrophobicContact CG1-CG 4.34Å; V182-Y202 HydrophobicContact CG2-CD1 4.41Å; V182-Y202 HydrophobicContact CG2-CE1 4.1Å; F184-Y202 AromaticContact CE2-CD2 3.88Å; F184-Y202 HydrophobicContact CE2-CD2 3.88Å; F184-Y202 HydrophobicContact CE2-CG 4.38Å; Q199-Y202 PolarHBondContact NE2-O 3.27Å; Q199-Y202 PolarHBondContact OE1-O 3.23Å
203	P	97.9	Very high	96	Very high	34 Å²	34	46.1 Å²	46.1	22%	0.221	22%	0.22	C	C	.	.			trans	-66.8	155.8	174.5	27.8	-36.2	0	0	0	112.6	V182 I183 F184 L239	V182-P203 WeakPolarHBondContact O-CD 2.92Å; I183-P203 HydrophobicContact CB-CG 4.46Å; I183-P203 HydrophobicContact CG1-CG 3.9Å; F184-P203 PolarHBondContact N-O 2.96Å; P203-L239 HydrophobicContact CB-CB 3.79Å; P203-L239 HydrophobicContact CB-CD1 4.3Å; P203-L239 HydrophobicContact CB-CD2 3.85Å; P203-L239 HydrophobicContact CB-CG 4.18Å; P203-L239 HydrophobicContact CG-CD2 4.22Å
204	V	98.6	Very high	95.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.5	177.1	-174	0	0	0	0	109.8	F184 C192 I195 L238 L239	F184-V204 HydrophobicContact CB-CG2 4.42Å; F184-V204 CarbonylContact O-C 3.5Å; F184-V204 WeakPolarHBondContact O-CA 3.23Å; C192-V204 HydrophobicContact CB-CG1 4.05Å; I195-V204 HydrophobicContact CB-CG2 3.98Å; I195-V204 HydrophobicContact CG2-CG2 3.45Å; I195-V204 VanDerWaalsContact CG2-CG2 3.45Å; V204-L238 HydrophobicContact CB-CD2 4.06Å; V204-L238 HydrophobicContact CG1-CD2 4.18Å; V204-L238 WeakPolarHBondContact O-CB 3.11Å; V204-L239 VanDerWaalsContact O-CB 3.32Å; V204-L239 WeakPolarHBondContact O-CB 3.4Å; V204-L239 PolarHBondContact O-N 2.82Å
205	L	98.2	Very high	95.1	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.5	179.1	-174	72.2	0	0	0	109.6	I183 F184 S185 S186 L207 A242 F266	I183-L205 HydrophobicContact CG2-CB 4.1Å; F184-L205 PolarHBondContact O-N 3.29Å; S185-L205 WeakPolarHBondContact CA-O 3.31Å; S185-L205 WeakPolarHBondContact CB-O 3.39Å; S186-L205 PolarHBondContact N-O 2.94Å; L205-L207 HydrophobicContact CD2-CD2 4.42Å; L205-A242 HydrophobicContact CD2-CB 3.78Å; L205-A242 HydrophobicContact CG-CB 4.12Å; L205-F266 HydrophobicContact CD1-CD2 3.73Å; L205-F266 HydrophobicContact CD1-CE2 4.02Å; L205-F266 HydrophobicContact CD1-CG 4.3Å; L205-F266 HydrophobicContact CD2-CB 4.03Å; L205-F266 HydrophobicContact CD2-CD1 3.87Å; L205-F266 HydrophobicContact CD2-CD2 3.91Å; L205-F266 HydrophobicContact CD2-CE1 4.17Å; L205-F266 HydrophobicContact CD2-CE2 4.22Å; L205-F266 HydrophobicContact CD2-CG 3.71Å; L205-F266 HydrophobicContact CD2-CZ 4.31Å
206	F	98.6	Very high	94.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.5	177.5	-175.8	-138.1	0	0	0	110.7	S186 F187 P189 M223 A229 F232 L238 G240 V241 A242	S186-F206 WeakPolarHBondContact O-CD2 3.23Å; F187-F206 WeakPolarHBondContact O-CE2 3.05Å; P189-F206 HydrophobicContact CB-CE2 4.11Å; P189-F206 HydrophobicContact CB-CZ 4.18Å; F206-M223 HydrophobicContact CZ-CG 4.21Å; F206-A229 HydrophobicContact CD1-CB 3.7Å; F206-A229 HydrophobicContact CE1-CB 3.57Å; F206-F232 AromaticContact CD1-CD1 3.63Å; F206-F232 HydrophobicContact CD1-CD1 3.63Å; F206-F232 HydrophobicContact CD1-CE1 4.19Å; F206-F232 HydrophobicContact CD2-CD1 4.48Å; F206-F232 HydrophobicContact CD2-CE1 4.24Å; F206-F232 AromaticContact CE1-CD1 3.77Å; F206-F232 HydrophobicContact CE1-CD1 3.77Å; F206-F232 HydrophobicContact CE1-CE1 4.33Å; F206-F232 HydrophobicContact CE1-CG 4.49Å; F206-F232 HydrophobicContact CE2-CE1 4.37Å; F206-F232 HydrophobicContact CG-CD1 4.03Å; F206-F232 HydrophobicContact CG-CE1 4.15Å; F206-F232 HydrophobicContact CZ-CD1 4.26Å; F206-F232 HydrophobicContact CZ-CE1 4.42Å; F206-L238 HydrophobicContact CB-CD1 3.86Å; F206-G240 PolarHBondContact N-O 3.18Å; F206-V241 CarbonylContact O-C 3.55Å; F206-V241 VanDerWaalsContact O-CA 3.29Å; F206-V241 WeakPolarHBondContact O-CA 3.34Å; F206-A242 PolarHBondContact O-N 3.42Å
207	L	98	Very high	94.4	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.3	177.5	-52	176.5	0	0	0	109.4	E142 S186 F187 L205 A242	E142-L207 VanDerWaalsContact CD-CD1 3.46Å; E142-L207 HydrophobicContact CG-CD1 3.72Å; E142-L207 WeakPolarHBondContact OE2-CD1 3.35Å; S186-L207 PolarHBondContact O-N 2.9Å; F187-L207 HydrophobicContact CD1-CB 3.55Å; F187-L207 WeakPolarHBondContact CD1-O 3.06Å; F187-L207 HydrophobicContact CD2-CB 3.9Å; F187-L207 HydrophobicContact CD2-CD1 3.63Å; F187-L207 HydrophobicContact CD2-CG 4.41Å; F187-L207 HydrophobicContact CE1-CB 3.51Å; F187-L207 HydrophobicContact CE2-CB 3.86Å; F187-L207 HydrophobicContact CE2-CD1 3.48Å; F187-L207 VanDerWaalsContact CE2-CD1 3.48Å; F187-L207 HydrophobicContact CE2-CG 4.31Å; F187-L207 HydrophobicContact CG-CB 3.75Å; F187-L207 HydrophobicContact CG-CD1 4.29Å; F187-L207 HydrophobicContact CZ-CB 3.66Å; F187-L207 HydrophobicContact CZ-CD1 4.03Å; F187-L207 HydrophobicContact CZ-CG 4.45Å; L205-L207 HydrophobicContact CD2-CD2 4.42Å; L207-A242 HydrophobicContact CD2-CB 3.37Å
208	T	96.9	Very high	94.1	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	135.7	176.5	-169.1	0	0	0	0	111.8	G210 A229 V241 A242 F243 H244 W268	T208-G210 VanDerWaalsContact C-N 3.28Å; T208-G210 PolarHBondContact OG1-N 3.39Å; T208-A229 HydrophobicContact CG2-CB 3.95Å; T208-V241 HydrophobicContact CG2-CG1 3.53Å; T208-A242 PolarHBondContact N-O 2.79Å; T208-F243 HydrophobicContact CG2-CD1 4.03Å; T208-H244 PolarHBondContact O-N 3.08Å; T208-W268 PolarHBondContact O-NE1 3.26Å
209	Q	94	Very high	93.8	Very high	8 Å²	8	50.8 Å²	50.8	4%	0.037	23%	0.231	C	C	.	.			trans	-80.3	-13.5	165.4	67.2	-173.9	26.7	0	0	112.5	S212 E216 Y218 W268	Q209-S212 VanDerWaalsContact O-CB 3.31Å; Q209-S212 WeakPolarHBondContact O-CB 3.37Å; Q209-S212 PolarHBondContact O-N 3.07Å; Q209-E216 PolarHBondContact NE2-O 2.71Å; Q209-Y218 HydrophobicContact CG-CD2 4.47Å; Q209-Y218 HydrophobicContact CG-CE2 4.4Å; Q209-Y218 VanDerWaalsContact OE1-CE2 3.3Å; Q209-W268 HydrophobicContact CB-CZ2 4.49Å
210	G	92.1	Very high	93.6	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	24%	0.239	C	C	.	.			trans	59.4	-149.7	-179.9	0	0	0	0	0	113.4	T208 S212 E247	T208-G210 VanDerWaalsContact C-N 3.28Å; T208-G210 PolarHBondContact OG1-N 3.39Å; G210-S212 PolarHBondContact O-N 2.85Å; G210-E247 WeakPolarHBondContact CA-OE2 3.32Å
211	D	89.7	Confident	93.4	Very high	54 Å²	54	49.1 Å²	49.1	29%	0.289	23%	0.226	S	C	.	.	S	Bend	trans	-80.5	67.9	169.2	-174.2	30.1	0	0	0	110.8	R217 E247 R250	D211-R217 IonicContact OD1-CZ 2.73Å; D211-R217 IonicContact OD1-NH2 3.71Å; D211-R217 PolarHBondContact OD1-NH2 3.23Å; D211-E247 WeakPolarHBondContact CB-OE1 3.47Å; D211-E247 PolarHBondContact N-OE1 2.84Å; D211-E247 PolarHBondContact N-OE2 3.31Å; D211-E247 VanDerWaalsContact N-OE2 3.12Å; D211-R250 PolarHBondContact O-NH2 3.44Å; D211-R250 IonicContact OD2-NH2 2.74Å
212	S	87.4	Confident	93.3	Very high	7 Å²	7	46.8 Å²	46.8	5%	0.049	21%	0.214	C	C	.	.			trans	-82	145.4	176	177.8	0	0	0	0	111.8	Q209 G210 R214 Y215 E246	Q209-S212 VanDerWaalsContact O-CB 3.31Å; Q209-S212 WeakPolarHBondContact O-CB 3.37Å; Q209-S212 PolarHBondContact O-N 3.07Å; G210-S212 PolarHBondContact O-N 2.85Å; S212-R214 PolarHBondContact OG-N 3Å; S212-Y215 WeakPolarHBondContact OG-CD2 3.38Å; S212-Y215 PolarHBondContact OG-N 3.46Å; S212-E246 WeakPolarHBondContact CA-OE2 3.35Å; S212-E246 VanDerWaalsContact CB-OE2 3.32Å; S212-E246 WeakPolarHBondContact CB-OE2 3.48Å; S212-E246 PolarHBondContact OG-OE2 3.31Å
213	R	87.9	Confident	93	Very high	207 Å²	207	46.1 Å²	46.1	78%	0.781	21%	0.212	S	C	*	.	S	Bend	trans	-101.3	-6.5	167	-59.5	179.3	-175.7	176.1	1.2	112.6	E246	R213-E246 PolarHBondContact N-OE1 3.38Å; R213-E246 VanDerWaalsContact N-OE1 3.13Å; R213-E246 PolarHBondContact N-OE2 3.04Å
214	R	89.4	Confident	92.6	Very high	116 Å²	116	47.4 Å²	47.4	44%	0.438	22%	0.215	S	C	.	.	S	Bend	trans	-88.5	-31.9	-178.3	-65.6	175.5	-177.5	177.5	6.2	112.4	S212 E246 D271	S212-R214 PolarHBondContact OG-N 3Å; R214-E246 WeakPolarHBondContact CG-OE2 3.47Å; R214-D271 IonicContact CZ-OD1 3.97Å; R214-D271 IonicContact CZ-OD2 3.8Å; R214-D271 VanDerWaalsContact NH1-CG 3.28Å; R214-D271 IonicContact NH1-OD1 2.67Å; R214-D271 PolarHBondContact NH1-OD1 3Å; R214-D271 IonicContact NH1-OD2 3.31Å; R214-D271 PolarHBondContact NH1-OD2 3.09Å; R214-D271 IonicContact NH2-OD1 3.27Å; R214-D271 PolarHBondContact NH2-OD1 3.31Å; R214-D271 IonicContact NH2-OD2 2.59Å; R214-D271 PolarHBondContact NH2-OD2 3.22Å
215	Y	89.2	Confident	92.4	Very high	76 Å²	76	49 Å²	49	30%	0.298	23%	0.226	S	C	.	.	S	Bend	trans	-109.6	148.6	-177.9	-59.4	-81.7	0	0	0	111.5	S212 H244 W268	S212-Y215 WeakPolarHBondContact OG-CD2 3.38Å; S212-Y215 PolarHBondContact OG-N 3.46Å; Y215-H244 AromaticContact CE2-CD2 3.76Å; Y215-H244 AromaticContact CE2-CE1 3.75Å; Y215-H244 AromaticContact CE2-NE2 3.41Å; Y215-H244 WeakPolarHBondContact CE2-NE2 3.28Å; Y215-W268 HydrophobicContact CE2-CH2 4.43Å
216	E	90.1	Very high	92.3	Very high	89 Å²	89	49.1 Å²	49.1	42%	0.416	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-63.9	141.6	168.2	-171.1	-179.6	168	0	0	110.2	M149 S151 Q209	M149-E216 VanDerWaalsContact CB-CD 3.5Å; M149-E216 HydrophobicContact CB-CG 4.22Å; M149-E216 WeakPolarHBondContact CB-OE1 3.23Å; S151-E216 WeakPolarHBondContact CA-OE1 3.31Å; S151-E216 WeakPolarHBondContact CB-OE1 3.45Å; S151-E216 PolarHBondContact N-OE1 3.18Å; S151-E216 VanDerWaalsContact OG-CD 3.27Å; S151-E216 PolarHBondContact OG-OE1 3.28Å; Q209-E216 PolarHBondContact NE2-O 2.71Å
217	R	90.9	Very high	92.2	Very high	95 Å²	95	54.5 Å²	54.5	36%	0.358	25%	0.25	S	S	.	.	P	Polyproline II helix	trans	-74.4	137.9	178.4	-70.7	-179.1	173.7	-177.1	-4.1	111.3	E150 D211	E150-R217 HydrophobicContact CB-CB 4.25Å; E150-R217 WeakPolarHBondContact CB-O 3.48Å; E150-R217 PolarHBondContact N-O 3.46Å; E150-R217 WeakPolarHBondContact OE2-CB 3.4Å; E150-R217 WeakPolarHBondContact OE2-CD 3.49Å; D211-R217 IonicContact OD1-CZ 2.73Å; D211-R217 IonicContact OD1-NH2 3.71Å; D211-R217 PolarHBondContact OD1-NH2 3.23Å
218	Y	91.8	Very high	92.1	Very high	31 Å²	31	57.3 Å²	57.3	12%	0.122	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-68.6	144.2	165	-63.8	-81.9	0	0	0	110.5	Q147 M149 Q209 D220 M223 Q224	Q147-Y218 HydrophobicContact CB-CD1 3.71Å; Q147-Y218 HydrophobicContact CB-CE1 3.85Å; Q147-Y218 HydrophobicContact CG-CE1 4.46Å; M149-Y218 HydrophobicContact CE-CD1 4.12Å; M149-Y218 HydrophobicContact CE-CE1 3.6Å; M149-Y218 HydrophobicContact SD-CD1 3.51Å; M149-Y218 VanDerWaalsContact SD-CD1 3.51Å; M149-Y218 HydrophobicContact SD-CE1 3.64Å; M149-Y218 HydrophobicContact SD-CG 4.23Å; Q209-Y218 HydrophobicContact CG-CD2 4.47Å; Q209-Y218 HydrophobicContact CG-CE2 4.4Å; Q209-Y218 VanDerWaalsContact OE1-CE2 3.3Å; Y218-D220 PolarHBondContact O-N 2.93Å; Y218-M223 HydrophobicContact CD1-CE 4.11Å; Y218-M223 HydrophobicContact CD1-SD 4.07Å; Y218-M223 HydrophobicContact CD2-CB 4.28Å; Y218-M223 HydrophobicContact CD2-CE 3.1Å; Y218-M223 HydrophobicContact CD2-SD 3.75Å; Y218-M223 HydrophobicContact CE1-CE 4.24Å; Y218-M223 HydrophobicContact CE2-CE 3.25Å; Y218-M223 HydrophobicContact CE2-SD 4.37Å; Y218-M223 HydrophobicContact CG-CB 4.5Å; Y218-M223 HydrophobicContact CG-CE 3.54Å; Y218-M223 HydrophobicContact CG-SD 3.53Å; Y218-M223 VanDerWaalsContact CG-SD 3.53Å; Y218-Q224 PolarHBondContact O-NE2 2.98Å
219	A	91.5	Very high	92.1	Very high	39 Å²	39	57.2 Å²	57.2	32%	0.322	27%	0.267	S	S	.	.	S	Bend	trans	-67.2	-22.8	176.2	0	0	0	0	0	112.2	K148 V221	K148-A219 HydrophobicContact CB-CB 4Å; K148-A219 WeakPolarHBondContact O-CB 3.41Å; K148-A219 PolarHBondContact O-N 2.84Å; A219-V221 PolarHBondContact O-N 2.96Å
220	D	92.7	Very high	92.3	Very high	41 Å²	41	56.9 Å²	56.9	22%	0.219	27%	0.265	C	S	.	.			trans	-71.9	116.2	176.5	-165.6	-41.3	0	0	0	111.2	Y218 R222 M223	Y218-D220 PolarHBondContact O-N 2.93Å; D220-R222 PolarHBondContact O-N 2.79Å; D220-R222 VanDerWaalsContact O-N 3.09Å; D220-R222 WeakPolarHBondContact OD1-CB 3.47Å; D220-R222 WeakPolarHBondContact OD1-CG 3.3Å; D220-R222 IonicContact OD1-CZ 2.61Å; D220-R222 PolarHBondContact OD1-N 2.65Å; D220-R222 IonicContact OD1-NE 3.5Å; D220-R222 PolarHBondContact OD1-NE 3.07Å; D220-R222 IonicContact OD2-CZ 3.63Å; D220-R222 VanDerWaalsContact OD2-CZ 3.25Å; D220-R222 IonicContact OD2-NE 2.73Å; D220-R222 PolarHBondContact OD2-NE 3.48Å; D220-R222 VanDerWaalsContact OD2-NE 3.08Å; D220-R222 IonicContact OD2-NH2 2.84Å; D220-R222 PolarHBondContact OD2-NH2 3.28Å; D220-M223 HydrophobicContact CB-CG 4.28Å; D220-M223 HydrophobicContact CB-SD 4.38Å; D220-M223 WeakPolarHBondContact O-CB 3.46Å; D220-M223 PolarHBondContact O-N 3.4Å
221	V	92.1	Very high	92.6	Very high	102 Å²	102	61.4 Å²	61.4	62%	0.618	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-58	-24.5	-179.8	-61.9	0	0	0	0	113.7	A219 M223 Q224	A219-V221 PolarHBondContact O-N 2.96Å; V221-M223 PolarHBondContact O-N 2.82Å; V221-Q224 PolarHBondContact O-N 3.1Å
222	R	94.5	Very high	93	Very high	62 Å²	62	59.7 Å²	59.7	23%	0.234	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-65.4	-21.8	177.2	-64.2	174.2	-74.5	-178.4	-3.8	112.5	P189 D190 D220 V228	P189-R222 HydrophobicContact CB-CB 4.44Å; P189-R222 HydrophobicContact CG-CB 4.32Å; P189-R222 VanDerWaalsContact CG-CZ 3.41Å; D190-R222 VanDerWaalsContact CG-NH2 3.34Å; D190-R222 IonicContact OD1-CZ 3.62Å; D190-R222 VanDerWaalsContact OD1-CZ 3.27Å; D190-R222 IonicContact OD1-NH1 2.66Å; D190-R222 PolarHBondContact OD1-NH1 3.48Å; D190-R222 IonicContact OD1-NH2 3.82Å; D190-R222 PolarHBondContact OD1-NH2 2.91Å; D190-R222 IonicContact OD2-NH2 3.78Å; D190-R222 PolarHBondContact OD2-NH2 3.49Å; D220-R222 PolarHBondContact O-N 2.79Å; D220-R222 VanDerWaalsContact O-N 3.09Å; D220-R222 WeakPolarHBondContact OD1-CB 3.47Å; D220-R222 WeakPolarHBondContact OD1-CG 3.3Å; D220-R222 IonicContact OD1-CZ 2.61Å; D220-R222 PolarHBondContact OD1-N 2.65Å; D220-R222 IonicContact OD1-NE 3.5Å; D220-R222 PolarHBondContact OD1-NE 3.07Å; D220-R222 IonicContact OD2-CZ 3.63Å; D220-R222 VanDerWaalsContact OD2-CZ 3.25Å; D220-R222 IonicContact OD2-NE 2.73Å; D220-R222 PolarHBondContact OD2-NE 3.48Å; D220-R222 VanDerWaalsContact OD2-NE 3.08Å; D220-R222 IonicContact OD2-NH2 2.84Å; D220-R222 PolarHBondContact OD2-NH2 3.28Å; R222-V228 HydrophobicContact CB-CG1 4.49Å; R222-V228 WeakPolarHBondContact O-CG1 3.45Å
223	M	91.9	Very high	93.6	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-97.9	-9.9	-176.2	-60.8	-172	68.7	0	0	114	Q147 F187 P189 F206 Y218 D220 V221 S225	Q147-M223 PolarHBondContact OE1-SD 3.35Å; F187-M223 HydrophobicContact CB-CE 3.83Å; F187-M223 HydrophobicContact CD1-CE 4.32Å; F187-M223 WeakPolarHBondContact O-CE 3.25Å; P189-M223 HydrophobicContact CG-CG 4.45Å; F206-M223 HydrophobicContact CZ-CG 4.21Å; Y218-M223 HydrophobicContact CD1-CE 4.11Å; Y218-M223 HydrophobicContact CD1-SD 4.07Å; Y218-M223 HydrophobicContact CD2-CB 4.28Å; Y218-M223 HydrophobicContact CD2-CE 3.1Å; Y218-M223 HydrophobicContact CD2-SD 3.75Å; Y218-M223 HydrophobicContact CE1-CE 4.24Å; Y218-M223 HydrophobicContact CE2-CE 3.25Å; Y218-M223 HydrophobicContact CE2-SD 4.37Å; Y218-M223 HydrophobicContact CG-CB 4.5Å; Y218-M223 HydrophobicContact CG-CE 3.54Å; Y218-M223 HydrophobicContact CG-SD 3.53Å; Y218-M223 VanDerWaalsContact CG-SD 3.53Å; D220-M223 HydrophobicContact CB-CG 4.28Å; D220-M223 HydrophobicContact CB-SD 4.38Å; D220-M223 WeakPolarHBondContact O-CB 3.46Å; D220-M223 PolarHBondContact O-N 3.4Å; V221-M223 PolarHBondContact O-N 2.82Å; M223-S225 VanDerWaalsContact C-N 3.28Å; M223-S225 PolarHBondContact O-N 3.12Å
224	Q	89.6	Confident	94.1	Very high	61 Å²	61	53.6 Å²	53.6	29%	0.285	26%	0.255	S	S	.	.	S	Bend	trans	-78.7	-7.4	-167.9	-67.6	-178.1	-2.8	0	0	114.3	Y218 V221	Y218-Q224 PolarHBondContact O-NE2 2.98Å; V221-Q224 PolarHBondContact O-N 3.1Å
225	S	93.5	Very high	94.5	Very high	35 Å²	35	52.5 Å²	52.5	25%	0.245	27%	0.266	C	S	.	.			trans	-154.8	148.7	173.8	73	0	0	0	0	112.7	M223 K227 V228 A229	M223-S225 VanDerWaalsContact C-N 3.28Å; M223-S225 PolarHBondContact O-N 3.12Å; S225-K227 VanDerWaalsContact C-N 3.26Å; S225-K227 PolarHBondContact O-N 3.3Å; S225-V228 PolarHBondContact O-N 2.66Å; S225-V228 WeakPolarHBondContact OG-CB 3.5Å; S225-V228 VanDerWaalsContact OG-CG2 3.25Å; S225-V228 WeakPolarHBondContact OG-CG2 3.28Å; S225-V228 PolarHBondContact OG-N 2.54Å; S225-A229 PolarHBondContact O-N 3.35Å
226	S	96.2	Very high	94.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-61.9	-31.5	175.3	-74.4	0	0	0	0	113.6	A229 I230 F243 E247	S226-A229 PolarHBondContact O-N 2.96Å; S226-I230 WeakPolarHBondContact O-CD1 3.49Å; S226-I230 VanDerWaalsContact O-CG1 3.25Å; S226-I230 WeakPolarHBondContact O-CG1 3.25Å; S226-I230 PolarHBondContact O-N 3.07Å; S226-F243 WeakPolarHBondContact OG-CD1 3.31Å; S226-E247 WeakPolarHBondContact CB-OE2 3.5Å; S226-E247 PolarHBondContact OG-OE2 3.18Å
227	K	96.3	Very high	95.2	Very high	113 Å²	113	49.9 Å²	49.9	49%	0.491	27%	0.271	S	S	.	.	H	α-helix	trans	-65.2	-43.7	175.9	-69.9	-177.9	-179.1	172.5	0	111.7	S225 A229 I230 H231 L254 L257	S225-K227 VanDerWaalsContact C-N 3.26Å; S225-K227 PolarHBondContact O-N 3.3Å; K227-A229 VanDerWaalsContact C-N 3.33Å; K227-I230 PolarHBondContact O-N 3.31Å; K227-H231 PolarHBondContact O-CD2 3.31Å; K227-H231 PolarHBondContact O-N 2.99Å; K227-H231 VanDerWaalsContact O-N 3.11Å; K227-L254 HydrophobicContact CG-CD2 3.79Å; K227-L257 HydrophobicContact CG-CD2 4.09Å
228	V	96.7	Very high	95.6	Very high	62 Å²	62	45.8 Å²	45.8	38%	0.376	26%	0.256	S	S	.	.	H	α-helix	trans	-65.6	-40.9	175.5	176.5	0	0	0	0	110.2	R222 S225 I230 H231 F232	R222-V228 HydrophobicContact CB-CG1 4.49Å; R222-V228 WeakPolarHBondContact O-CG1 3.45Å; S225-V228 PolarHBondContact O-N 2.66Å; S225-V228 WeakPolarHBondContact OG-CB 3.5Å; S225-V228 VanDerWaalsContact OG-CG2 3.25Å; S225-V228 WeakPolarHBondContact OG-CG2 3.28Å; S225-V228 PolarHBondContact OG-N 2.54Å; V228-I230 PolarHBondContact O-N 3.14Å; V228-H231 PolarHBondContact O-N 3.28Å; V228-F232 VanDerWaalsContact O-CB 3.25Å; V228-F232 WeakPolarHBondContact O-CB 3.5Å; V228-F232 PolarHBondContact O-N 3.38Å
229	A	97.7	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.9	-43.2	175.2	0	0	0	0	0	113	F206 T208 S225 S226 K227 F232 A233 V241	F206-A229 HydrophobicContact CD1-CB 3.7Å; F206-A229 HydrophobicContact CE1-CB 3.57Å; T208-A229 HydrophobicContact CG2-CB 3.95Å; S225-A229 PolarHBondContact O-N 3.35Å; S226-A229 PolarHBondContact O-N 2.96Å; K227-A229 VanDerWaalsContact C-N 3.33Å; A229-F232 PolarHBondContact O-N 2.98Å; A229-A233 WeakPolarHBondContact O-CB 3.44Å; A229-A233 PolarHBondContact O-N 3.04Å; A229-V241 HydrophobicContact CB-CG1 4.21Å
230	I	98.3	Very high	96.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-51.5	174.7	-73.7	163.2	0	0	0	111.1	S226 K227 V228 F232 A233 H234 V241 F243 L254 L257 A258 L261 L263	S226-I230 WeakPolarHBondContact O-CD1 3.49Å; S226-I230 VanDerWaalsContact O-CG1 3.25Å; S226-I230 WeakPolarHBondContact O-CG1 3.25Å; S226-I230 PolarHBondContact O-N 3.07Å; K227-I230 PolarHBondContact O-N 3.31Å; V228-I230 PolarHBondContact O-N 3.14Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 3.25Å; I230-A233 PolarHBondContact O-N 3.39Å; I230-H234 WeakPolarHBondContact O-CB 3.42Å; I230-H234 PolarHBondContact O-N 2.68Å; I230-V241 HydrophobicContact CG1-CG2 4.31Å; I230-F243 HydrophobicContact CD1-CE1 3.82Å; I230-F243 HydrophobicContact CD1-CZ 3.76Å; I230-F243 HydrophobicContact CG1-CE1 3.82Å; I230-F243 HydrophobicContact CG1-CZ 3.62Å; I230-L254 HydrophobicContact CD1-CB 4.48Å; I230-L254 HydrophobicContact CD1-CD2 4.3Å; I230-L257 HydrophobicContact CD1-CB 4.35Å; I230-L257 HydrophobicContact CD1-CD2 3.93Å; I230-L257 HydrophobicContact CD1-CG 4.13Å; I230-L257 HydrophobicContact CG2-CD2 4.49Å; I230-L257 HydrophobicContact CG2-CG 4.19Å; I230-A258 HydrophobicContact CD1-CB 4.13Å; I230-A258 HydrophobicContact CG1-CB 4.11Å; I230-L261 HydrophobicContact CG2-CD1 3.59Å; I230-L263 HydrophobicContact CG2-CD1 4.06Å; I230-L263 VanDerWaalsContact O-CD1 3.32Å; I230-L263 WeakPolarHBondContact O-CD1 3.21Å
231	H	98.1	Very high	96.4	Very high	96 Å²	96	42.4 Å²	42.4	44%	0.444	24%	0.235	S	C	.	.	H	α-helix	trans	-66.6	-35.1	-179.6	-71.1	-59.1	0	0	0	112.4	K227 V228 S235	K227-H231 PolarHBondContact O-CD2 3.31Å; K227-H231 PolarHBondContact O-N 2.99Å; K227-H231 VanDerWaalsContact O-N 3.11Å; V228-H231 PolarHBondContact O-N 3.28Å; H231-S235 VanDerWaalsContact O-CB 3.28Å; H231-S235 WeakPolarHBondContact O-CB 3.44Å; H231-S235 PolarHBondContact O-N 2.91Å; H231-S235 PolarHBondContact O-OG 2.96Å
232	F	98.4	Very high	96.7	Very high	18 Å²	18	37.5 Å²	37.5	8%	0.079	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-49.6	174.4	173.1	-98.4	0	0	0	111.3	P189 C192 L193 F206 V228 A229 I230 H234 S235 N236 L238	P189-F232 HydrophobicContact CB-CE1 3.88Å; P189-F232 HydrophobicContact CB-CE2 3.94Å; P189-F232 HydrophobicContact CB-CZ 3.5Å; P189-F232 VanDerWaalsContact CB-CZ 3.5Å; P189-F232 WeakPolarHBondContact O-CZ 3.38Å; C192-F232 HydrophobicContact CB-CE1 4.37Å; L193-F232 HydrophobicContact CD1-CE2 4.23Å; L193-F232 HydrophobicContact CD1-CZ 4.35Å; L193-F232 HydrophobicContact CD2-CE2 4.12Å; L193-F232 HydrophobicContact CD2-CZ 3.86Å; L193-F232 HydrophobicContact CG-CE2 4.23Å; L193-F232 HydrophobicContact CG-CZ 3.89Å; F206-F232 AromaticContact CD1-CD1 3.63Å; F206-F232 HydrophobicContact CD1-CD1 3.63Å; F206-F232 HydrophobicContact CD1-CE1 4.19Å; F206-F232 HydrophobicContact CD2-CD1 4.48Å; F206-F232 HydrophobicContact CD2-CE1 4.24Å; F206-F232 AromaticContact CE1-CD1 3.77Å; F206-F232 HydrophobicContact CE1-CD1 3.77Å; F206-F232 HydrophobicContact CE1-CE1 4.33Å; F206-F232 HydrophobicContact CE1-CG 4.49Å; F206-F232 HydrophobicContact CE2-CE1 4.37Å; F206-F232 HydrophobicContact CG-CD1 4.03Å; F206-F232 HydrophobicContact CG-CE1 4.15Å; F206-F232 HydrophobicContact CZ-CD1 4.26Å; F206-F232 HydrophobicContact CZ-CE1 4.42Å; V228-F232 VanDerWaalsContact O-CB 3.25Å; V228-F232 WeakPolarHBondContact O-CB 3.5Å; V228-F232 PolarHBondContact O-N 3.38Å; A229-F232 PolarHBondContact O-N 2.98Å; I230-F232 VanDerWaalsContact C-N 3.31Å; I230-F232 PolarHBondContact O-N 3.25Å; F232-H234 PolarHBondContact O-N 3.4Å; F232-S235 PolarHBondContact O-N 3.25Å; F232-N236 WeakPolarHBondContact CD2-ND2 3.37Å; F232-N236 WeakPolarHBondContact CE2-ND2 3.23Å; F232-N236 PolarHBondContact O-N 3.1Å; F232-N236 PolarHBondContact O-ND2 3.02Å; F232-L238 HydrophobicContact CD1-CD1 4.2Å; F232-L238 HydrophobicContact CE1-CD1 3.81Å
233	A	98.5	Very high	96.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-46.2	178.7	0	0	0	0	0	111.9	A229 I230 N236 G237 L238 V241 L263	A229-A233 WeakPolarHBondContact O-CB 3.44Å; A229-A233 PolarHBondContact O-N 3.04Å; I230-A233 PolarHBondContact O-N 3.39Å; A233-N236 PolarHBondContact O-N 3.11Å; A233-G237 PolarHBondContact O-N 3.27Å; A233-L238 HydrophobicContact CB-CB 4.05Å; A233-L238 HydrophobicContact CB-CD1 4.21Å; A233-L238 HydrophobicContact CB-CG 4.45Å; A233-L238 PolarHBondContact O-N 3.22Å; A233-V241 HydrophobicContact CB-CG2 3.66Å; A233-L263 HydrophobicContact CB-CD1 3.87Å; A233-L263 HydrophobicContact CB-CD2 4.34Å
234	H	98.2	Very high	97	Very high	87 Å²	87	34.5 Å²	34.5	40%	0.403	19%	0.194	S	C	.	.	H	α-helix	trans	-61.2	-48.8	177.4	179.5	72.7	0	0	0	112.5	I230 F232 N236 G237 L261 L263	I230-H234 WeakPolarHBondContact O-CB 3.42Å; I230-H234 PolarHBondContact O-N 2.68Å; F232-H234 PolarHBondContact O-N 3.4Å; H234-N236 PolarHBondContact O-N 2.71Å; H234-G237 PolarHBondContact O-N 2.73Å; H234-L261 HydrophobicContact CB-CB 4.29Å; H234-L261 HydrophobicContact CB-CD1 4.31Å; H234-L261 PolarHBondContact ND1-O 2.9Å; H234-L263 HydrophobicContact CB-CD1 4.14Å; H234-L263 HydrophobicContact CB-CD2 4.33Å; H234-L263 HydrophobicContact CB-CG 4.4Å
235	S	97.8	Very high	97.2	Very high	93 Å²	93	31.6 Å²	31.6	65%	0.65	18%	0.18	S	C	*	.	H	α-helix	trans	-67.2	-23.1	-175.2	-54.9	0	0	0	0	113.3	H231 F232	H231-S235 VanDerWaalsContact O-CB 3.28Å; H231-S235 WeakPolarHBondContact O-CB 3.44Å; H231-S235 PolarHBondContact O-N 2.91Å; H231-S235 PolarHBondContact O-OG 2.96Å; F232-S235 PolarHBondContact O-N 3.25Å
236	N	97.9	Very high	97.3	Very high	61 Å²	61	31.1 Å²	31.1	33%	0.326	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	9.4	-178.4	-63.9	-76.4	0	0	0	113.4	L193 F232 A233 H234 L238	L193-N236 HydrophobicContact CD2-CB 3.51Å; L193-N236 VanDerWaalsContact CD2-OD1 3.23Å; L193-N236 WeakPolarHBondContact CD2-OD1 2.91Å; F232-N236 WeakPolarHBondContact CD2-ND2 3.37Å; F232-N236 WeakPolarHBondContact CE2-ND2 3.23Å; F232-N236 PolarHBondContact O-N 3.1Å; F232-N236 PolarHBondContact O-ND2 3.02Å; A233-N236 PolarHBondContact O-N 3.11Å; H234-N236 PolarHBondContact O-N 2.71Å; N236-L238 VanDerWaalsContact C-N 3.28Å; N236-L238 HydrophobicContact CB-CD2 4.47Å; N236-L238 HydrophobicContact CB-CG 4.36Å; N236-L238 PolarHBondContact O-N 3.3Å
237	G	97.3	Very high	97.1	Very high	49 Å²	49	32 Å²	32	51%	0.505	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	28.7	175.7	0	0	0	0	0	114.2	Q196 A233 H234	Q196-G237 PolarHBondContact NE2-O 3.02Å; A233-G237 PolarHBondContact O-N 3.27Å; H234-G237 PolarHBondContact O-N 2.73Å
238	L	98.4	Very high	97	Very high	9 Å²	9	26.7 Å²	26.7	5%	0.047	16%	0.155	C	C	.	.			trans	-72	159.2	173.5	-51.6	-171	0	0	0	110	C192 Q196 V204 F206 F232 A233 N236 G240	C192-L238 HydrophobicContact CB-CD1 4.02Å; Q196-L238 HydrophobicContact CB-CD2 4.04Å; Q196-L238 HydrophobicContact CG-CD2 4.06Å; V204-L238 HydrophobicContact CB-CD2 4.06Å; V204-L238 HydrophobicContact CG1-CD2 4.18Å; V204-L238 WeakPolarHBondContact O-CB 3.11Å; F206-L238 HydrophobicContact CB-CD1 3.86Å; F232-L238 HydrophobicContact CD1-CD1 4.2Å; F232-L238 HydrophobicContact CE1-CD1 3.81Å; A233-L238 HydrophobicContact CB-CB 4.05Å; A233-L238 HydrophobicContact CB-CD1 4.21Å; A233-L238 HydrophobicContact CB-CG 4.45Å; A233-L238 PolarHBondContact O-N 3.22Å; N236-L238 VanDerWaalsContact C-N 3.28Å; N236-L238 HydrophobicContact CB-CD2 4.47Å; N236-L238 HydrophobicContact CB-CG 4.36Å; N236-L238 PolarHBondContact O-N 3.3Å; L238-G240 PolarHBondContact O-N 2.82Å
239	L	97.6	Very high	96.8	Very high	39 Å²	39	27.5 Å²	27.5	20%	0.204	16%	0.157	C	C	.	.	S	Bend	trans	-59.7	-37.5	177.1	174	65.5	0	0	0	112	I183 P203 V204 T264 F266	I183-L239 HydrophobicContact CG2-CD2 4.44Å; P203-L239 HydrophobicContact CB-CB 3.79Å; P203-L239 HydrophobicContact CB-CD1 4.3Å; P203-L239 HydrophobicContact CB-CD2 3.85Å; P203-L239 HydrophobicContact CB-CG 4.18Å; P203-L239 HydrophobicContact CG-CD2 4.22Å; V204-L239 VanDerWaalsContact O-CB 3.32Å; V204-L239 WeakPolarHBondContact O-CB 3.4Å; V204-L239 PolarHBondContact O-N 2.82Å; L239-T264 WeakPolarHBondContact CD1-OG1 3.22Å; L239-T264 WeakPolarHBondContact O-CB 3.42Å; L239-T264 PolarHBondContact O-N 2.83Å; L239-T264 PolarHBondContact O-OG1 3.06Å; L239-F266 HydrophobicContact CD2-CE2 4.41Å
240	G	98	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.4	-160.6	-171.6	0	0	0	0	0	114.3	F206 L238 T264	F206-G240 PolarHBondContact N-O 3.18Å; L238-G240 PolarHBondContact O-N 2.82Å; G240-T264 WeakPolarHBondContact CA-O 3.36Å
241	V	98.3	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.2	-178.8	-178.1	0	0	0	0	109.9	F206 T208 A229 I230 A233 F243 L263 T264 F266	F206-V241 CarbonylContact O-C 3.55Å; F206-V241 VanDerWaalsContact O-CA 3.29Å; F206-V241 WeakPolarHBondContact O-CA 3.34Å; T208-V241 HydrophobicContact CG2-CG1 3.53Å; A229-V241 HydrophobicContact CB-CG1 4.21Å; I230-V241 HydrophobicContact CG1-CG2 4.31Å; A233-V241 HydrophobicContact CB-CG2 3.66Å; V241-F243 HydrophobicContact CB-CD2 4.34Å; V241-F243 HydrophobicContact CB-CE1 4.11Å; V241-F243 HydrophobicContact CB-CE2 3.76Å; V241-F243 HydrophobicContact CB-CZ 3.63Å; V241-F243 HydrophobicContact CG1-CD1 3.85Å; V241-F243 HydrophobicContact CG1-CD2 4.15Å; V241-F243 HydrophobicContact CG1-CE1 3.6Å; V241-F243 HydrophobicContact CG1-CE2 3.95Å; V241-F243 HydrophobicContact CG1-CG 4.13Å; V241-F243 HydrophobicContact CG1-CZ 3.67Å; V241-F243 HydrophobicContact CG2-CZ 4.38Å; V241-L263 HydrophobicContact CG2-CD1 4.36Å; V241-T264 PolarHBondContact N-O 2.87Å; V241-T264 VanDerWaalsContact N-O 3.09Å; V241-F266 PolarHBondContact O-N 2.8Å
242	A	97.4	Very high	96	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	110.4	165.2	0	0	0	0	0	109.4	L205 F206 L207 T208 F266 W268	L205-A242 HydrophobicContact CD2-CB 3.78Å; L205-A242 HydrophobicContact CG-CB 4.12Å; F206-A242 PolarHBondContact O-N 3.42Å; L207-A242 HydrophobicContact CD2-CB 3.37Å; T208-A242 PolarHBondContact N-O 2.79Å; A242-F266 CarbonylContact C-O 3.53Å; A242-F266 WeakPolarHBondContact CA-O 3.29Å; A242-F266 HydrophobicContact CB-CB 3.77Å; A242-W268 PolarHBondContact O-NE1 3.4Å
243	F	97.1	Very high	95.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	140.1	-176.9	-58.5	-88.1	0	0	0	110.6	T208 S226 I230 V241 S245 I248 A258 F266 V267 W268 F286	T208-F243 HydrophobicContact CG2-CD1 4.03Å; S226-F243 WeakPolarHBondContact OG-CD1 3.31Å; I230-F243 HydrophobicContact CD1-CE1 3.82Å; I230-F243 HydrophobicContact CD1-CZ 3.76Å; I230-F243 HydrophobicContact CG1-CE1 3.82Å; I230-F243 HydrophobicContact CG1-CZ 3.62Å; V241-F243 HydrophobicContact CB-CD2 4.34Å; V241-F243 HydrophobicContact CB-CE1 4.11Å; V241-F243 HydrophobicContact CB-CE2 3.76Å; V241-F243 HydrophobicContact CB-CZ 3.63Å; V241-F243 HydrophobicContact CG1-CD1 3.85Å; V241-F243 HydrophobicContact CG1-CD2 4.15Å; V241-F243 HydrophobicContact CG1-CE1 3.6Å; V241-F243 HydrophobicContact CG1-CE2 3.95Å; V241-F243 HydrophobicContact CG1-CG 4.13Å; V241-F243 HydrophobicContact CG1-CZ 3.67Å; V241-F243 HydrophobicContact CG2-CZ 4.38Å; F243-S245 PolarHBondContact O-N 3.47Å; F243-I248 HydrophobicContact CB-CD1 3.68Å; F243-I248 HydrophobicContact CB-CG1 3.64Å; F243-I248 HydrophobicContact CD1-CD1 4.07Å; F243-I248 HydrophobicContact CD2-CD1 4.43Å; F243-I248 HydrophobicContact CG-CD1 3.81Å; F243-I248 HydrophobicContact CG-CG1 4.32Å; F243-A258 HydrophobicContact CE2-CB 4.37Å; F243-A258 HydrophobicContact CZ-CB 4.08Å; F243-F266 PolarHBondContact N-O 3.47Å; F243-V267 VanDerWaalsContact O-CA 3.32Å; F243-V267 WeakPolarHBondContact O-CA 3.45Å; F243-W268 PolarHBondContact O-N 3.38Å; F243-F286 AromaticContact CD2-CE1 3.92Å; F243-F286 HydrophobicContact CD2-CE1 3.92Å
244	H	95.5	Very high	95.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	133	166.2	-172.5	-95	0	0	0	110.5	T208 Y215 E246 E247 W268	T208-H244 PolarHBondContact O-N 3.08Å; Y215-H244 AromaticContact CE2-CD2 3.76Å; Y215-H244 AromaticContact CE2-CE1 3.75Å; Y215-H244 AromaticContact CE2-NE2 3.41Å; Y215-H244 WeakPolarHBondContact CE2-NE2 3.28Å; H244-E246 VanDerWaalsContact C-N 3.28Å; H244-E246 VanDerWaalsContact CE1-CB 3.49Å; H244-E246 WeakPolarHBondContact CE1-CB 3.24Å; H244-E246 VanDerWaalsContact ND1-CB 3.26Å; H244-E246 WeakPolarHBondContact ND1-CB 3.37Å; H244-E246 PolarHBondContact ND1-N 3.32Å; H244-E246 PolarHBondContact O-N 3.05Å; H244-E247 PolarHBondContact O-N 3.3Å; H244-W268 HydrophobicContact CB-CH2 4.42Å; H244-W268 HydrophobicContact CB-CZ2 3.73Å; H244-W268 AromaticContact CD2-CE2 3.94Å; H244-W268 AromaticContact CD2-CE3 3.9Å; H244-W268 AromaticContact CD2-CH2 3.48Å; H244-W268 VanDerWaalsContact CD2-CH2 3.48Å; H244-W268 WeakPolarHBondContact CD2-CH2 3.43Å; H244-W268 AromaticContact CD2-CZ2 3.63Å; H244-W268 AromaticContact CD2-CZ3 3.63Å
245	S	95.1	Very high	95.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55	-36.7	-175.1	42.6	0	0	0	0	114.2	F243 E247 I248 L249 W268 D271	F243-S245 PolarHBondContact O-N 3.47Å; S245-E247 PolarHBondContact O-N 3.19Å; S245-I248 PolarHBondContact O-N 3.04Å; S245-L249 WeakPolarHBondContact O-CG 3.18Å; S245-L249 PolarHBondContact O-N 3.36Å; S245-W268 WeakPolarHBondContact CB-O 3.1Å; S245-W268 PolarHBondContact N-O 2.85Å; S245-W268 PolarHBondContact OG-O 2.77Å; S245-W268 VanDerWaalsContact OG-O 3.06Å; S245-D271 PolarHBondContact OG-OD2 2.67Å; S245-D271 VanDerWaalsContact OG-OD2 3.09Å
246	E	94.4	Very high	95.4	Very high	25 Å²	25	32 Å²	32	12%	0.117	18%	0.184	C	C	.	.	H	α-helix	trans	-54.2	-46.4	-179.9	-177.4	-167.8	179.1	0	0	113.2	S212 R213 R214 H244 D271	S212-E246 WeakPolarHBondContact CA-OE2 3.35Å; S212-E246 VanDerWaalsContact CB-OE2 3.32Å; S212-E246 WeakPolarHBondContact CB-OE2 3.48Å; S212-E246 PolarHBondContact OG-OE2 3.31Å; R213-E246 PolarHBondContact N-OE1 3.38Å; R213-E246 VanDerWaalsContact N-OE1 3.13Å; R213-E246 PolarHBondContact N-OE2 3.04Å; R214-E246 WeakPolarHBondContact CG-OE2 3.47Å; H244-E246 VanDerWaalsContact C-N 3.28Å; H244-E246 VanDerWaalsContact CE1-CB 3.49Å; H244-E246 WeakPolarHBondContact CE1-CB 3.24Å; H244-E246 VanDerWaalsContact ND1-CB 3.26Å; H244-E246 WeakPolarHBondContact ND1-CB 3.37Å; H244-E246 PolarHBondContact ND1-N 3.32Å; H244-E246 PolarHBondContact O-N 3.05Å; E246-D271 PolarHBondContact N-OD2 3.44Å
247	E	92	Very high	95.3	Very high	18 Å²	18	31.3 Å²	31.3	8%	0.084	18%	0.181	C	C	.	.	H	α-helix	trans	-72.8	-37.3	-177.4	-174.3	172.4	-151.9	0	0	110.8	G210 D211 S226 H244 S245 L249 R250 D251 L254	G210-E247 WeakPolarHBondContact CA-OE2 3.32Å; D211-E247 WeakPolarHBondContact CB-OE1 3.47Å; D211-E247 PolarHBondContact N-OE1 2.84Å; D211-E247 PolarHBondContact N-OE2 3.31Å; D211-E247 VanDerWaalsContact N-OE2 3.12Å; S226-E247 WeakPolarHBondContact CB-OE2 3.5Å; S226-E247 PolarHBondContact OG-OE2 3.18Å; H244-E247 PolarHBondContact O-N 3.3Å; S245-E247 PolarHBondContact O-N 3.19Å; E247-L249 PolarHBondContact O-N 3.35Å; E247-R250 CarbonylContact O-C 3.5Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 3.44Å; E247-R250 VanDerWaalsContact O-N 3.09Å; E247-D251 PolarHBondContact O-N 2.98Å; E247-L254 HydrophobicContact CG-CD1 3.84Å
248	I	94.6	Very high	95.4	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-65.4	-39.9	-179.5	-61.3	-57.1	0	0	0	112.1	F243 S245 R250 D251 S252 L254 L255 F281 L284 F286	F243-I248 HydrophobicContact CB-CD1 3.68Å; F243-I248 HydrophobicContact CB-CG1 3.64Å; F243-I248 HydrophobicContact CD1-CD1 4.07Å; F243-I248 HydrophobicContact CD2-CD1 4.43Å; F243-I248 HydrophobicContact CG-CD1 3.81Å; F243-I248 HydrophobicContact CG-CG1 4.32Å; S245-I248 PolarHBondContact O-N 3.04Å; I248-R250 PolarHBondContact O-N 2.91Å; I248-D251 CarbonylContact O-C 3.55Å; I248-D251 PolarHBondContact O-N 3.26Å; I248-S252 PolarHBondContact O-N 2.84Å; I248-L254 HydrophobicContact CD1-CB 4.09Å; I248-L254 HydrophobicContact CD1-CD1 3.93Å; I248-L255 HydrophobicContact CD1-CD1 3.69Å; I248-L255 HydrophobicContact CG1-CD1 4.48Å; I248-L255 HydrophobicContact CG2-CD1 3.87Å; I248-F281 HydrophobicContact CB-CE1 4.08Å; I248-F281 HydrophobicContact CG2-CD1 4.24Å; I248-F281 HydrophobicContact CG2-CE1 3.7Å; I248-L284 HydrophobicContact CG2-CD1 4.27Å; I248-F286 HydrophobicContact CB-CZ 4.34Å; I248-F286 HydrophobicContact CD1-CZ 4.1Å; I248-F286 HydrophobicContact CG1-CZ 3.84Å; I248-F286 HydrophobicContact CG2-CE2 3.72Å; I248-F286 HydrophobicContact CG2-CZ 3.7Å
249	L	93.3	Very high	95.2	Very high	79 Å²	79	33.3 Å²	33.3	41%	0.414	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-27.1	175.4	-70.9	169	0	0	0	112	S245 E247 D271 M277 F281	S245-L249 WeakPolarHBondContact O-CG 3.18Å; S245-L249 PolarHBondContact O-N 3.36Å; E247-L249 PolarHBondContact O-N 3.35Å; L249-D271 HydrophobicContact CD1-CB 3.8Å; L249-M277 HydrophobicContact CD1-CE 4.16Å; L249-M277 HydrophobicContact CD2-CE 3.95Å; L249-F281 HydrophobicContact CD1-CZ 4.14Å; L249-F281 HydrophobicContact CD2-CE1 4.36Å; L249-F281 HydrophobicContact CD2-CE2 4.35Å; L249-F281 HydrophobicContact CD2-CZ 3.78Å; L249-F281 HydrophobicContact CG-CE1 4.39Å; L249-F281 HydrophobicContact CG-CZ 3.73Å
250	R	93	Very high	95.2	Very high	113 Å²	113	35 Å²	35	43%	0.426	19%	0.188	S	C	.	.	H	α-helix	trans	-88.2	-40.1	176.7	-174.6	175.7	64.8	-123	7.2	112.8	D211 E247 I248	D211-R250 PolarHBondContact O-NH2 3.44Å; D211-R250 IonicContact OD2-NH2 2.74Å; E247-R250 CarbonylContact O-C 3.5Å; E247-R250 WeakPolarHBondContact O-CB 3.45Å; E247-R250 PolarHBondContact O-N 3.44Å; E247-R250 VanDerWaalsContact O-N 3.09Å; I248-R250 PolarHBondContact O-N 2.91Å
251	D	93	Very high	95.2	Very high	46 Å²	46	36.8 Å²	36.8	25%	0.246	20%	0.197	C	C	.	.			trans	-137.5	87.5	-177.3	-173.9	5.5	0	0	0	112.1	E247 I248 T253	E247-D251 PolarHBondContact O-N 2.98Å; I248-D251 CarbonylContact O-C 3.55Å; I248-D251 PolarHBondContact O-N 3.26Å; D251-T253 PolarHBondContact O-N 2.66Å; D251-T253 VanDerWaalsContact OD1-CB 3.24Å; D251-T253 WeakPolarHBondContact OD1-CB 3.43Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.49Å; D251-T253 PolarHBondContact OD1-N 2.69Å; D251-T253 PolarHBondContact OD1-OG1 3.42Å; D251-T253 PolarHBondContact OD2-OG1 2.92Å
252	S	91	Very high	95.2	Very high	64 Å²	64	45 Å²	45	45%	0.448	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.9	175.6	62.3	0	0	0	0	114.1	I248 L254 L255 P256	I248-S252 PolarHBondContact O-N 2.84Å; S252-L254 PolarHBondContact O-N 3.36Å; S252-L255 PolarHBondContact O-N 3.4Å; S252-P256 WeakPolarHBondContact O-CD 3.23Å
253	T	93.5	Very high	95.2	Very high	85 Å²	85	45.6 Å²	45.6	52%	0.521	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.7	179.9	73.7	0	0	0	0	113.1	D251 L255 P256 L257	D251-T253 PolarHBondContact O-N 2.66Å; D251-T253 VanDerWaalsContact OD1-CB 3.24Å; D251-T253 WeakPolarHBondContact OD1-CB 3.43Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.49Å; D251-T253 PolarHBondContact OD1-N 2.69Å; D251-T253 PolarHBondContact OD1-OG1 3.42Å; D251-T253 PolarHBondContact OD2-OG1 2.92Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 PolarHBondContact O-N 3.36Å; T253-P256 WeakPolarHBondContact O-CD 3.4Å; T253-L257 PolarHBondContact O-N 2.85Å
254	L	95.1	Very high	95.2	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-34.1	173.4	-65	170.8	0	0	0	112.8	K227 I230 E247 I248 S252 L257 A258	K227-L254 HydrophobicContact CG-CD2 3.79Å; I230-L254 HydrophobicContact CD1-CB 4.48Å; I230-L254 HydrophobicContact CD1-CD2 4.3Å; E247-L254 HydrophobicContact CG-CD1 3.84Å; I248-L254 HydrophobicContact CD1-CB 4.09Å; I248-L254 HydrophobicContact CD1-CD1 3.93Å; S252-L254 PolarHBondContact O-N 3.36Å; L254-L257 PolarHBondContact O-N 2.85Å; L254-A258 PolarHBondContact O-N 3.44Å
255	L	94.7	Very high	95.3	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	24%	0.243	C	C	.	.	H	α-helix	trans	-66.4	-53.2	179.3	-82.2	67.5	0	0	0	112	I248 S252 T253 L257 A258 R259 L284 F286	I248-L255 HydrophobicContact CD1-CD1 3.69Å; I248-L255 HydrophobicContact CG1-CD1 4.48Å; I248-L255 HydrophobicContact CG2-CD1 3.87Å; S252-L255 PolarHBondContact O-N 3.4Å; T253-L255 VanDerWaalsContact C-N 3.31Å; T253-L255 PolarHBondContact O-N 3.36Å; L255-L257 PolarHBondContact O-N 3.1Å; L255-A258 PolarHBondContact O-N 2.82Å; L255-R259 WeakPolarHBondContact O-CB 3.4Å; L255-R259 WeakPolarHBondContact O-CG 3.39Å; L255-R259 PolarHBondContact O-N 2.9Å; L255-L284 HydrophobicContact CD2-CB 4.02Å; L255-L284 WeakPolarHBondContact CD2-O 3.4Å; L255-F286 HydrophobicContact CD1-CE1 4.2Å; L255-F286 HydrophobicContact CD1-CE2 3.73Å; L255-F286 HydrophobicContact CD1-CZ 3.38Å; L255-F286 HydrophobicContact CD2-CD2 3.83Å; L255-F286 HydrophobicContact CD2-CE2 3.46Å; L255-F286 VanDerWaalsContact CD2-CE2 3.46Å; L255-F286 HydrophobicContact CD2-CZ 3.88Å; L255-F286 HydrophobicContact CG-CE1 4.28Å; L255-F286 HydrophobicContact CG-CE2 3.91Å; L255-F286 HydrophobicContact CG-CZ 3.77Å
256	P	95.8	Very high	95.4	Very high	75 Å²	75	46.5 Å²	46.5	49%	0.487	24%	0.243	S	C	.	.	H	α-helix	trans	-52.7	-38.9	172	-28.7	33.4	0	0	0	113.4	S252 T253 S260	S252-P256 WeakPolarHBondContact O-CD 3.23Å; T253-P256 WeakPolarHBondContact O-CD 3.4Å; P256-S260 WeakPolarHBondContact O-CB 3.46Å; P256-S260 PolarHBondContact O-N 2.77Å
257	L	97.2	Very high	95.4	Very high	48 Å²	48	45.3 Å²	45.3	25%	0.251	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-51.5	177.8	178.4	61.6	0	0	0	111.5	K227 I230 T253 L254 L255 R259 S260 L261	K227-L257 HydrophobicContact CG-CD2 4.09Å; I230-L257 HydrophobicContact CD1-CB 4.35Å; I230-L257 HydrophobicContact CD1-CD2 3.93Å; I230-L257 HydrophobicContact CD1-CG 4.13Å; I230-L257 HydrophobicContact CG2-CD2 4.49Å; I230-L257 HydrophobicContact CG2-CG 4.19Å; T253-L257 PolarHBondContact O-N 2.85Å; L254-L257 PolarHBondContact O-N 2.85Å; L255-L257 PolarHBondContact O-N 3.1Å; L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 3.05Å; L257-S260 PolarHBondContact O-N 3.03Å; L257-S260 PolarHBondContact O-OG 2.64Å; L257-L261 PolarHBondContact O-N 3.44Å
258	A	97.5	Very high	95.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-46.2	176.9	0	0	0	0	0	111.9	I230 F243 L254 L255 S260 L261 H262 L263	I230-A258 HydrophobicContact CD1-CB 4.13Å; I230-A258 HydrophobicContact CG1-CB 4.11Å; F243-A258 HydrophobicContact CE2-CB 4.37Å; F243-A258 HydrophobicContact CZ-CB 4.08Å; L254-A258 PolarHBondContact O-N 3.44Å; L255-A258 PolarHBondContact O-N 2.82Å; A258-S260 VanDerWaalsContact C-N 3.33Å; A258-S260 PolarHBondContact O-N 3.42Å; A258-L261 CarbonylContact O-C 3.54Å; A258-L261 PolarHBondContact O-N 2.96Å; A258-L261 VanDerWaalsContact O-N 3.11Å; A258-H262 PolarHBondContact O-N 3.11Å; A258-L263 HydrophobicContact CB-CB 4.34Å; A258-L263 WeakPolarHBondContact O-CB 3.21Å; A258-L263 PolarHBondContact O-N 3.11Å
259	R	96	Very high	95.5	Very high	99 Å²	99	47 Å²	47	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-38.2	177.1	-70.6	177.9	-171.8	147.7	6.3	112.8	L255 L257 L261 H262 L284 G285	L255-R259 WeakPolarHBondContact O-CB 3.4Å; L255-R259 WeakPolarHBondContact O-CG 3.39Å; L255-R259 PolarHBondContact O-N 2.9Å; L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 3.05Å; R259-L261 PolarHBondContact O-N 2.77Å; R259-H262 PolarHBondContact O-N 3.31Å; R259-L284 PolarHBondContact NH2-O 3.46Å; R259-G285 PolarHBondContact NH2-O 3.44Å
260	S	97.7	Very high	95.3	Very high	76 Å²	76	48.3 Å²	48.3	53%	0.531	26%	0.256	S	S	.	.	H	α-helix	trans	-62.8	-22.5	177.6	76.7	0	0	0	0	113.1	P256 L257 A258	P256-S260 WeakPolarHBondContact O-CB 3.46Å; P256-S260 PolarHBondContact O-N 2.77Å; L257-S260 PolarHBondContact O-N 3.03Å; L257-S260 PolarHBondContact O-OG 2.64Å; A258-S260 VanDerWaalsContact C-N 3.33Å; A258-S260 PolarHBondContact O-N 3.42Å
261	L	97.9	Very high	95.3	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.188	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.5	176	-65.6	175.4	0	0	0	112.8	I230 H234 L257 A258 R259 L263	I230-L261 HydrophobicContact CG2-CD1 3.59Å; H234-L261 HydrophobicContact CB-CB 4.29Å; H234-L261 HydrophobicContact CB-CD1 4.31Å; H234-L261 PolarHBondContact ND1-O 2.9Å; L257-L261 PolarHBondContact O-N 3.44Å; A258-L261 CarbonylContact O-C 3.54Å; A258-L261 PolarHBondContact O-N 2.96Å; A258-L261 VanDerWaalsContact O-N 3.11Å; R259-L261 PolarHBondContact O-N 2.77Å; L261-L263 HydrophobicContact CB-CG 4.4Å; L261-L263 PolarHBondContact O-N 2.89Å
262	H	97	Very high	95.1	Very high	174 Å²	174	42.6 Å²	42.6	81%	0.806	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	29	179.5	-54.3	-66.1	0	0	0	114.5	A258 R259	A258-H262 PolarHBondContact O-N 3.11Å; R259-H262 PolarHBondContact O-N 3.31Å
263	L	98.2	Very high	94.9	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.058	25%	0.245	C	C	.	.			trans	-90.5	140.1	175.7	-64.4	-177.6	0	0	0	111.4	I230 A233 H234 V241 A258 L261	I230-L263 HydrophobicContact CG2-CD1 4.06Å; I230-L263 VanDerWaalsContact O-CD1 3.32Å; I230-L263 WeakPolarHBondContact O-CD1 3.21Å; A233-L263 HydrophobicContact CB-CD1 3.87Å; A233-L263 HydrophobicContact CB-CD2 4.34Å; H234-L263 HydrophobicContact CB-CD1 4.14Å; H234-L263 HydrophobicContact CB-CD2 4.33Å; H234-L263 HydrophobicContact CB-CG 4.4Å; V241-L263 HydrophobicContact CG2-CD1 4.36Å; A258-L263 HydrophobicContact CB-CB 4.34Å; A258-L263 WeakPolarHBondContact O-CB 3.21Å; A258-L263 PolarHBondContact O-N 3.11Å; L261-L263 HydrophobicContact CB-CG 4.4Å; L261-L263 PolarHBondContact O-N 2.89Å
264	T	96.7	Very high	94.7	Very high	20 Å²	20	43.9 Å²	43.9	12%	0.123	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	141.6	167.9	-48.8	0	0	0	0	109	L21 L239 G240 V241 F266 D287	L21-T264 HydrophobicContact CD2-CG2 4.42Å; L239-T264 WeakPolarHBondContact CD1-OG1 3.22Å; L239-T264 WeakPolarHBondContact O-CB 3.42Å; L239-T264 PolarHBondContact O-N 2.83Å; L239-T264 PolarHBondContact O-OG1 3.06Å; G240-T264 WeakPolarHBondContact CA-O 3.36Å; V241-T264 PolarHBondContact N-O 2.87Å; V241-T264 VanDerWaalsContact N-O 3.09Å; T264-F266 HydrophobicContact CG2-CD2 3.94Å; T264-F266 HydrophobicContact CG2-CE2 3.49Å; T264-F266 VanDerWaalsContact CG2-CE2 3.49Å; T264-D287 WeakPolarHBondContact CA-OD2 3.15Å; T264-D287 HydrophobicContact CG2-CB 3.34Å; T264-D287 WeakPolarHBondContact CG2-OD2 3.17Å
265	S	96.8	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.7	179.9	-58.4	0	0	0	0	110.5	F286 D287 G288	S265-F286 WeakPolarHBondContact O-CD1 3.3Å; S265-D287 PolarHBondContact N-OD2 3.19Å; S265-D287 PolarHBondContact O-N 3.38Å; S265-G288 PolarHBondContact O-N 3.18Å
266	F	97	Very high	94.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	158.5	170.8	-73.9	-127.1	0	0	0	109.8	I15 F17 L21 I183 L205 L239 V241 A242 F243 T264 F286 G288 I290	I15-F266 HydrophobicContact CG2-CD1 4.22Å; I15-F266 HydrophobicContact CG2-CE1 3.86Å; F17-F266 HydrophobicContact CD1-CE1 4.4Å; F17-F266 HydrophobicContact CD1-CZ 4.25Å; F17-F266 AromaticContact CE1-CE1 3.62Å; F17-F266 HydrophobicContact CE1-CE1 3.62Å; F17-F266 AromaticContact CE1-CZ 3.52Å; F17-F266 HydrophobicContact CE1-CZ 3.52Å; F17-F266 HydrophobicContact CZ-CE1 4.28Å; F17-F266 HydrophobicContact CZ-CZ 4.44Å; L21-F266 HydrophobicContact CD1-CZ 4.19Å; I183-F266 HydrophobicContact CD1-CZ 4.18Å; L205-F266 HydrophobicContact CD1-CD2 3.73Å; L205-F266 HydrophobicContact CD1-CE2 4.02Å; L205-F266 HydrophobicContact CD1-CG 4.3Å; L205-F266 HydrophobicContact CD2-CB 4.03Å; L205-F266 HydrophobicContact CD2-CD1 3.87Å; L205-F266 HydrophobicContact CD2-CD2 3.91Å; L205-F266 HydrophobicContact CD2-CE1 4.17Å; L205-F266 HydrophobicContact CD2-CE2 4.22Å; L205-F266 HydrophobicContact CD2-CG 3.71Å; L205-F266 HydrophobicContact CD2-CZ 4.31Å; L239-F266 HydrophobicContact CD2-CE2 4.41Å; V241-F266 PolarHBondContact O-N 2.8Å; A242-F266 CarbonylContact C-O 3.53Å; A242-F266 WeakPolarHBondContact CA-O 3.29Å; A242-F266 HydrophobicContact CB-CB 3.77Å; F243-F266 PolarHBondContact N-O 3.47Å; T264-F266 HydrophobicContact CG2-CD2 3.94Å; T264-F266 HydrophobicContact CG2-CE2 3.49Å; T264-F266 VanDerWaalsContact CG2-CE2 3.49Å; F266-F286 WeakPolarHBondContact O-CD1 3.46Å; F266-F286 VanDerWaalsContact O-CE1 3.22Å; F266-F286 WeakPolarHBondContact O-CE1 3.15Å; F266-G288 CarbonylContact C-O 3.38Å; F266-G288 WeakPolarHBondContact CA-O 3.49Å; F266-I290 HydrophobicContact CD1-CD1 4.18Å; F266-I290 HydrophobicContact CD1-CG1 4.14Å
267	V	96	Very high	94.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	141.9	171.2	63.2	0	0	0	0	110.3	F243 L272 F281 F286 G288 V289 I290	F243-V267 VanDerWaalsContact O-CA 3.32Å; F243-V267 WeakPolarHBondContact O-CA 3.45Å; V267-L272 HydrophobicContact CG1-CD1 4.18Å; V267-L272 HydrophobicContact CG1-CD2 4.31Å; V267-L272 HydrophobicContact CG2-CD1 4.36Å; V267-F281 HydrophobicContact CB-CD1 4.29Å; V267-F281 HydrophobicContact CG1-CB 3.86Å; V267-F281 HydrophobicContact CG1-CD1 4.05Å; V267-F281 HydrophobicContact CG1-CG 3.94Å; V267-F281 HydrophobicContact CG2-CD1 3.86Å; V267-F281 HydrophobicContact CG2-CE1 3.78Å; V267-F281 HydrophobicContact CG2-CG 4.33Å; V267-F281 HydrophobicContact CG2-CZ 4.19Å; V267-F286 HydrophobicContact CB-CD1 3.73Å; V267-F286 HydrophobicContact CB-CD2 4.31Å; V267-F286 HydrophobicContact CB-CE1 3.68Å; V267-F286 HydrophobicContact CB-CE2 4.26Å; V267-F286 HydrophobicContact CB-CG 4.05Å; V267-F286 HydrophobicContact CB-CZ 3.95Å; V267-F286 HydrophobicContact CG1-CB 4.35Å; V267-F286 HydrophobicContact CG1-CD1 4.07Å; V267-F286 HydrophobicContact CG1-CD2 4.18Å; V267-F286 HydrophobicContact CG1-CE1 4.45Å; V267-F286 HydrophobicContact CG1-CG 3.92Å; V267-F286 HydrophobicContact CG2-CZ 4.39Å; V267-G288 PolarHBondContact N-O 2.97Å; V267-V289 HydrophobicContact CG1-CB 4.25Å; V267-V289 HydrophobicContact CG1-CG1 3.98Å; V267-V289 HydrophobicContact CG1-CG2 3.97Å; V267-I290 PolarHBondContact O-N 3.2Å
268	W	94.9	Very high	93.8	Very high	41 Å²	41	52.1 Å²	52.1	16%	0.155	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	169.2	175.8	69.4	-82.2	0	0	0	110.5	F187 T208 Q209 Y215 A242 F243 H244 S245 I290	F187-W268 AromaticContact CE1-CE2 3.99Å; F187-W268 AromaticContact CE1-CH2 3.96Å; F187-W268 HydrophobicContact CE1-CH2 3.96Å; F187-W268 AromaticContact CE1-CZ2 3.39Å; F187-W268 HydrophobicContact CE1-CZ2 3.39Å; F187-W268 HydrophobicContact CZ-CD2 4.38Å; F187-W268 AromaticContact CZ-CE2 3.69Å; F187-W268 AromaticContact CZ-CH2 3.53Å; F187-W268 HydrophobicContact CZ-CH2 3.53Å; F187-W268 AromaticContact CZ-CZ2 3.27Å; F187-W268 HydrophobicContact CZ-CZ2 3.27Å; F187-W268 HydrophobicContact CZ-CZ3 4.19Å; T208-W268 PolarHBondContact O-NE1 3.26Å; Q209-W268 HydrophobicContact CB-CZ2 4.49Å; Y215-W268 HydrophobicContact CE2-CH2 4.43Å; A242-W268 PolarHBondContact O-NE1 3.4Å; F243-W268 PolarHBondContact O-N 3.38Å; H244-W268 HydrophobicContact CB-CH2 4.42Å; H244-W268 HydrophobicContact CB-CZ2 3.73Å; H244-W268 AromaticContact CD2-CE2 3.94Å; H244-W268 AromaticContact CD2-CE3 3.9Å; H244-W268 AromaticContact CD2-CH2 3.48Å; H244-W268 VanDerWaalsContact CD2-CH2 3.48Å; H244-W268 WeakPolarHBondContact CD2-CH2 3.43Å; H244-W268 AromaticContact CD2-CZ2 3.63Å; H244-W268 AromaticContact CD2-CZ3 3.63Å; S245-W268 WeakPolarHBondContact CB-O 3.1Å; S245-W268 PolarHBondContact N-O 2.85Å; S245-W268 PolarHBondContact OG-O 2.77Å; S245-W268 VanDerWaalsContact OG-O 3.06Å; W268-I290 HydrophobicContact CB-CB 3.98Å; W268-I290 HydrophobicContact CB-CD1 4.41Å
269	G	93	Very high	93.5	Very high	15 Å²	15	55.3 Å²	55.3	16%	0.155	30%	0.297	C	S	.	.	S	Bend	trans	109.9	173.2	170.1	0	0	0	0	0	114.9	D271 L272	G269-D271 PolarHBondContact O-N 3.33Å; G269-L272 WeakPolarHBondContact O-CB 3.35Å; G269-L272 PolarHBondContact O-N 3.31Å
270	N	89.7	Confident	93.4	Very high	107 Å²	107	54.4 Å²	54.4	57%	0.572	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-64.6	-13.5	-161.1	-55.1	-9.6	0	0	0	115.5	L272	N270-L272 PolarHBondContact O-N 2.88Å
271	D	92.4	Very high	93.2	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.16	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-76.8	-3.1	175.1	-53.8	-75.3	0	0	0	112.7	R214 S245 E246 L249 G269 D273 M277	R214-D271 IonicContact CZ-OD1 3.97Å; R214-D271 IonicContact CZ-OD2 3.8Å; R214-D271 VanDerWaalsContact NH1-CG 3.28Å; R214-D271 IonicContact NH1-OD1 2.67Å; R214-D271 PolarHBondContact NH1-OD1 3Å; R214-D271 IonicContact NH1-OD2 3.31Å; R214-D271 PolarHBondContact NH1-OD2 3.09Å; R214-D271 IonicContact NH2-OD1 3.27Å; R214-D271 PolarHBondContact NH2-OD1 3.31Å; R214-D271 IonicContact NH2-OD2 2.59Å; R214-D271 PolarHBondContact NH2-OD2 3.22Å; S245-D271 PolarHBondContact OG-OD2 2.67Å; S245-D271 VanDerWaalsContact OG-OD2 3.09Å; E246-D271 PolarHBondContact N-OD2 3.44Å; L249-D271 HydrophobicContact CD1-CB 3.8Å; G269-D271 PolarHBondContact O-N 3.33Å; D271-D273 VanDerWaalsContact C-N 3.27Å; D271-D273 PolarHBondContact O-N 3.08Å; D271-M277 HydrophobicContact CB-CE 4.4Å; D271-M277 WeakPolarHBondContact O-CB 3.45Å; D271-M277 WeakPolarHBondContact O-CG 3.33Å
272	L	88.7	Confident	92.8	Very high	8 Å²	8	52.3 Å²	52.3	4%	0.042	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-91.7	31.2	176.2	-62.4	169.2	0	0	0	112.8	V267 G269 N270 S274 V278 F281 V289 I290	V267-L272 HydrophobicContact CG1-CD1 4.18Å; V267-L272 HydrophobicContact CG1-CD2 4.31Å; V267-L272 HydrophobicContact CG2-CD1 4.36Å; G269-L272 WeakPolarHBondContact O-CB 3.35Å; G269-L272 PolarHBondContact O-N 3.31Å; N270-L272 PolarHBondContact O-N 2.88Å; L272-S274 VanDerWaalsContact C-N 3.29Å; L272-S274 PolarHBondContact O-N 3.04Å; L272-V278 HydrophobicContact CD2-CG2 4.43Å; L272-F281 HydrophobicContact CD2-CB 4.42Å; L272-F281 HydrophobicContact CD2-CD2 3.26Å; L272-F281 HydrophobicContact CD2-CE2 3.67Å; L272-F281 HydrophobicContact CD2-CG 4.05Å; L272-F281 HydrophobicContact CG-CD2 4.43Å; L272-F281 HydrophobicContact CG-CE2 4.44Å; L272-V289 HydrophobicContact CD1-CG1 3.81Å; L272-V289 HydrophobicContact CD2-CG1 3.65Å; L272-V289 HydrophobicContact CG-CG1 4.31Å; L272-I290 WeakPolarHBondContact CD1-O 3.47Å
273	D	86.6	Confident	92.5	Very high	131 Å²	131	51.6 Å²	51.6	70%	0.701	27%	0.269	S	S	*	.			trans	-79.1	-2.4	-173.5	68	-4.8	0	0	0	115.3	D271	D271-D273 VanDerWaalsContact C-N 3.27Å; D271-D273 PolarHBondContact O-N 3.08Å
274	S	89.6	Confident	92.3	Very high	45 Å²	45	53.6 Å²	53.6	32%	0.315	28%	0.28	S	S	.	.	S	Bend	trans	-149.9	148	-172.5	59.1	0	0	0	0	112.1	L272 Q276 M277 V278	L272-S274 VanDerWaalsContact C-N 3.29Å; L272-S274 PolarHBondContact O-N 3.04Å; S274-Q276 PolarHBondContact O-N 2.73Å; S274-Q276 VanDerWaalsContact O-N 3.09Å; S274-M277 PolarHBondContact O-N 3Å; S274-M277 WeakPolarHBondContact OG-CG 3.21Å; S274-V278 PolarHBondContact O-N 2.86Å
275	A	89.2	Confident	92	Very high	87 Å²	87	52.9 Å²	52.9	72%	0.719	28%	0.276	S	S	*	.	H	α-helix	trans	-56.2	-30.4	177.4	0	0	0	0	0	112.8	E279	A275-E279 VanDerWaalsContact O-CB 3.3Å; A275-E279 WeakPolarHBondContact O-CB 3.08Å; A275-E279 PolarHBondContact O-N 2.84Å
276	Q	93	Very high	91.9	Very high	163 Å²	163	52.9 Å²	52.9	76%	0.762	28%	0.276	S	S	*	.	H	α-helix	trans	-65.9	-43.2	175.3	-176.3	178.5	10.3	0	0	111.9	S274 H280	S274-Q276 PolarHBondContact O-N 2.73Å; S274-Q276 VanDerWaalsContact O-N 3.09Å; Q276-H280 WeakPolarHBondContact O-CB 3.07Å; Q276-H280 PolarHBondContact O-N 2.48Å
277	M	91.7	Very high	91.8	Very high	45 Å²	45	54.8 Å²	54.8	22%	0.222	29%	0.286	C	S	.	.	H	α-helix	trans	-71.9	-42.4	178.7	-70.8	-57.8	-64.7	0	0	111.7	L249 D271 S274 E279 H280 F281	L249-M277 HydrophobicContact CD1-CE 4.16Å; L249-M277 HydrophobicContact CD2-CE 3.95Å; D271-M277 HydrophobicContact CB-CE 4.4Å; D271-M277 WeakPolarHBondContact O-CB 3.45Å; D271-M277 WeakPolarHBondContact O-CG 3.33Å; S274-M277 PolarHBondContact O-N 3Å; S274-M277 WeakPolarHBondContact OG-CG 3.21Å; M277-E279 VanDerWaalsContact C-N 3.29Å; M277-E279 PolarHBondContact O-N 3.47Å; M277-H280 WeakPolarHBondContact O-CA 3.46Å; M277-H280 VanDerWaalsContact O-CB 3.32Å; M277-H280 WeakPolarHBondContact O-CB 3.5Å; M277-H280 PolarHBondContact O-N 2.9Å; M277-F281 HydrophobicContact CE-CE2 3.86Å; M277-F281 VanDerWaalsContact O-CD2 3.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.35Å; M277-F281 PolarHBondContact O-N 2.81Å
278	V	90.2	Very high	91.6	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-54.4	-47.2	171.9	172.4	0	0	0	0	110.7	L272 S274 H280 F281 R282 V289 Y291	L272-V278 HydrophobicContact CD2-CG2 4.43Å; S274-V278 PolarHBondContact O-N 2.86Å; V278-H280 PolarHBondContact O-N 3.3Å; V278-F281 PolarHBondContact O-N 2.87Å; V278-R282 PolarHBondContact O-N 3.08Å; V278-V289 HydrophobicContact CG1-CG1 4.18Å; V278-V289 HydrophobicContact CG2-CG1 4.4Å; V278-Y291 HydrophobicContact CG1-CE1 4.37Å; V278-Y291 HydrophobicContact CG2-CD1 4.23Å; V278-Y291 HydrophobicContact CG2-CD2 4.29Å; V278-Y291 HydrophobicContact CG2-CG 4.12Å
279	E	91.1	Very high	91.5	Very high	67 Å²	67	53 Å²	53	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-66.7	-34.7	176.6	-177.3	58.2	-155.1	0	0	112.8	A275 M277 R282 K283	A275-E279 VanDerWaalsContact O-CB 3.3Å; A275-E279 WeakPolarHBondContact O-CB 3.08Å; A275-E279 PolarHBondContact O-N 2.84Å; M277-E279 VanDerWaalsContact C-N 3.29Å; M277-E279 PolarHBondContact O-N 3.47Å; E279-R282 PolarHBondContact O-N 2.67Å; E279-R282 WeakPolarHBondContact OE2-CD 3.01Å; E279-R282 IonicContact OE2-CZ 3.47Å; E279-R282 IonicContact OE2-NE 3.25Å; E279-R282 IonicContact OE2-NH1 3.98Å; E279-R282 PolarHBondContact OE2-NH1 2.82Å; E279-K283 HydrophobicContact CG-CD 4.43Å; E279-K283 WeakPolarHBondContact O-CG 3.23Å; E279-K283 PolarHBondContact O-N 3.31Å; E279-K283 WeakPolarHBondContact OE1-CE 3.36Å; E279-K283 IonicContact OE1-NZ 3.98Å
280	H	93.5	Very high	91.4	Very high	79 Å²	79	52.6 Å²	52.6	37%	0.366	27%	0.274	S	S	.	.	H	α-helix	trans	-59.3	-50.8	174.3	174.7	77.8	0	0	0	111.2	Q276 M277 V278 R282 K283 L284	Q276-H280 WeakPolarHBondContact O-CB 3.07Å; Q276-H280 PolarHBondContact O-N 2.48Å; M277-H280 WeakPolarHBondContact O-CA 3.46Å; M277-H280 VanDerWaalsContact O-CB 3.32Å; M277-H280 WeakPolarHBondContact O-CB 3.5Å; M277-H280 PolarHBondContact O-N 2.9Å; V278-H280 PolarHBondContact O-N 3.3Å; H280-R282 PolarHBondContact O-N 3.04Å; H280-K283 WeakPolarHBondContact O-CB 3.11Å; H280-K283 PolarHBondContact O-N 2.99Å; H280-K283 VanDerWaalsContact O-N 3.14Å; H280-L284 PolarHBondContact O-N 2.97Å
281	F	93.1	Very high	91.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.2	-35.4	178.1	-75.9	-77.1	0	0	0	112.8	I248 L249 V267 L272 M277 V278 K283 L284 G285 F286	I248-F281 HydrophobicContact CB-CE1 4.08Å; I248-F281 HydrophobicContact CG2-CD1 4.24Å; I248-F281 HydrophobicContact CG2-CE1 3.7Å; L249-F281 HydrophobicContact CD1-CZ 4.14Å; L249-F281 HydrophobicContact CD2-CE1 4.36Å; L249-F281 HydrophobicContact CD2-CE2 4.35Å; L249-F281 HydrophobicContact CD2-CZ 3.78Å; L249-F281 HydrophobicContact CG-CE1 4.39Å; L249-F281 HydrophobicContact CG-CZ 3.73Å; V267-F281 HydrophobicContact CB-CD1 4.29Å; V267-F281 HydrophobicContact CG1-CB 3.86Å; V267-F281 HydrophobicContact CG1-CD1 4.05Å; V267-F281 HydrophobicContact CG1-CG 3.94Å; V267-F281 HydrophobicContact CG2-CD1 3.86Å; V267-F281 HydrophobicContact CG2-CE1 3.78Å; V267-F281 HydrophobicContact CG2-CG 4.33Å; V267-F281 HydrophobicContact CG2-CZ 4.19Å; L272-F281 HydrophobicContact CD2-CB 4.42Å; L272-F281 HydrophobicContact CD2-CD2 3.26Å; L272-F281 HydrophobicContact CD2-CE2 3.67Å; L272-F281 HydrophobicContact CD2-CG 4.05Å; L272-F281 HydrophobicContact CG-CD2 4.43Å; L272-F281 HydrophobicContact CG-CE2 4.44Å; M277-F281 HydrophobicContact CE-CE2 3.86Å; M277-F281 VanDerWaalsContact O-CD2 3.25Å; M277-F281 WeakPolarHBondContact O-CD2 3.35Å; M277-F281 PolarHBondContact O-N 2.81Å; V278-F281 PolarHBondContact O-N 2.87Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 3.01Å; F281-L284 HydrophobicContact CD1-CD1 3.93Å; F281-L284 HydrophobicContact CE1-CD1 4.31Å; F281-L284 WeakPolarHBondContact O-CB 3.29Å; F281-L284 PolarHBondContact O-N 3.49Å; F281-G285 PolarHBondContact O-N 3.46Å; F281-G285 VanDerWaalsContact O-N 3.16Å; F281-F286 HydrophobicContact CB-CD2 4.11Å; F281-F286 AromaticContact CD1-CD2 3.91Å; F281-F286 HydrophobicContact CD1-CD2 3.91Å; F281-F286 AromaticContact CD1-CE2 3.61Å; F281-F286 HydrophobicContact CD1-CE2 3.61Å; F281-F286 HydrophobicContact CD1-CZ 4.44Å; F281-F286 HydrophobicContact CE1-CE2 4.3Å; F281-F286 WeakPolarHBondContact O-CD2 3.23Å; F281-F286 PolarHBondContact O-N 2.9Å
282	R	89.7	Confident	90.4	Very high	68 Å²	68	52.3 Å²	52.3	26%	0.257	27%	0.271	S	S	.	.	H	α-helix	trans	-57.2	-43.3	170.5	-177.3	-179.1	-69.4	116.3	5	111.9	E16 V278 E279 H280 G285	E16-R282 IonicContact OE2-CZ 2.67Å; E16-R282 IonicContact OE2-NH2 3.67Å; E16-R282 PolarHBondContact OE2-NH2 2.87Å; V278-R282 PolarHBondContact O-N 3.08Å; E279-R282 PolarHBondContact O-N 2.67Å; E279-R282 WeakPolarHBondContact OE2-CD 3.01Å; E279-R282 IonicContact OE2-CZ 3.47Å; E279-R282 IonicContact OE2-NE 3.25Å; E279-R282 IonicContact OE2-NH1 3.98Å; E279-R282 PolarHBondContact OE2-NH1 2.82Å; H280-R282 PolarHBondContact O-N 3.04Å; R282-G285 VanDerWaalsContact O-CA 3.25Å; R282-G285 WeakPolarHBondContact O-CA 3.49Å; R282-G285 PolarHBondContact O-N 3.3Å
283	K	91.9	Very high	89.1	Confident	160 Å²	160	60.9 Å²	60.9	70%	0.696	31%	0.311	S	S	*	.	H	α-helix	trans	-69.4	-31.9	177.6	-72.8	176.5	-177.3	171.4	0	113.4	E279 H280 F281 G285	E279-K283 HydrophobicContact CG-CD 4.43Å; E279-K283 WeakPolarHBondContact O-CG 3.23Å; E279-K283 PolarHBondContact O-N 3.31Å; E279-K283 WeakPolarHBondContact OE1-CE 3.36Å; E279-K283 IonicContact OE1-NZ 3.98Å; H280-K283 WeakPolarHBondContact O-CB 3.11Å; H280-K283 PolarHBondContact O-N 2.99Å; H280-K283 VanDerWaalsContact O-N 3.14Å; F281-K283 VanDerWaalsContact C-N 3.29Å; F281-K283 PolarHBondContact O-N 3.01Å; K283-G285 PolarHBondContact O-N 3.01Å
284	L	92.6	Very high	89.3	Confident	53 Å²	53	57.4 Å²	57.4	28%	0.277	29%	0.291	S	S	.	.	H	α-helix	trans	-62.7	-22.4	168.2	-67.3	179	0	0	0	111.8	I248 L255 R259 H280 F281 F286	I248-L284 HydrophobicContact CG2-CD1 4.27Å; L255-L284 HydrophobicContact CD2-CB 4.02Å; L255-L284 WeakPolarHBondContact CD2-O 3.4Å; R259-L284 PolarHBondContact NH2-O 3.46Å; H280-L284 PolarHBondContact O-N 2.97Å; F281-L284 HydrophobicContact CD1-CD1 3.93Å; F281-L284 HydrophobicContact CE1-CD1 4.31Å; F281-L284 WeakPolarHBondContact O-CB 3.29Å; F281-L284 PolarHBondContact O-N 3.49Å; L284-F286 HydrophobicContact CB-CD2 4.28Å; L284-F286 HydrophobicContact CB-CE2 4.4Å; L284-F286 HydrophobicContact CD1-CE2 4.48Å
285	G	92.1	Very high	89.2	Confident	4 Å²	4	58.1 Å²	58.1	4%	0.041	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	28.4	168.8	0	0	0	0	0	113.8	R259 F281 R282 K283	R259-G285 PolarHBondContact NH2-O 3.44Å; F281-G285 PolarHBondContact O-N 3.46Å; F281-G285 VanDerWaalsContact O-N 3.16Å; R282-G285 VanDerWaalsContact O-CA 3.25Å; R282-G285 WeakPolarHBondContact O-CA 3.49Å; R282-G285 PolarHBondContact O-N 3.3Å; K283-G285 PolarHBondContact O-N 3.01Å
286	F	94.2	Very high	89.3	Confident	1 Å²	1	56.4 Å²	56.4	0%	0.004	27%	0.266	C	S	.	.			trans	-55.4	144.9	164.4	-79.4	-87.1	0	0	0	110.7	K18 F243 I248 L255 S265 F266 V267 F281 L284	K18-F286 VanDerWaalsContact CB-O 3.27Å; K18-F286 WeakPolarHBondContact CB-O 3.46Å; K18-F286 VanDerWaalsContact CD-O 3.26Å; K18-F286 WeakPolarHBondContact CD-O 3.46Å; F243-F286 AromaticContact CD2-CE1 3.92Å; F243-F286 HydrophobicContact CD2-CE1 3.92Å; I248-F286 HydrophobicContact CB-CZ 4.34Å; I248-F286 HydrophobicContact CD1-CZ 4.1Å; I248-F286 HydrophobicContact CG1-CZ 3.84Å; I248-F286 HydrophobicContact CG2-CE2 3.72Å; I248-F286 HydrophobicContact CG2-CZ 3.7Å; L255-F286 HydrophobicContact CD1-CE1 4.2Å; L255-F286 HydrophobicContact CD1-CE2 3.73Å; L255-F286 HydrophobicContact CD1-CZ 3.38Å; L255-F286 HydrophobicContact CD2-CD2 3.83Å; L255-F286 HydrophobicContact CD2-CE2 3.46Å; L255-F286 VanDerWaalsContact CD2-CE2 3.46Å; L255-F286 HydrophobicContact CD2-CZ 3.88Å; L255-F286 HydrophobicContact CG-CE1 4.28Å; L255-F286 HydrophobicContact CG-CE2 3.91Å; L255-F286 HydrophobicContact CG-CZ 3.77Å; S265-F286 WeakPolarHBondContact O-CD1 3.3Å; F266-F286 WeakPolarHBondContact O-CD1 3.46Å; F266-F286 VanDerWaalsContact O-CE1 3.22Å; F266-F286 WeakPolarHBondContact O-CE1 3.15Å; V267-F286 HydrophobicContact CB-CD1 3.73Å; V267-F286 HydrophobicContact CB-CD2 4.31Å; V267-F286 HydrophobicContact CB-CE1 3.68Å; V267-F286 HydrophobicContact CB-CE2 4.26Å; V267-F286 HydrophobicContact CB-CG 4.05Å; V267-F286 HydrophobicContact CB-CZ 3.95Å; V267-F286 HydrophobicContact CG1-CB 4.35Å; V267-F286 HydrophobicContact CG1-CD1 4.07Å; V267-F286 HydrophobicContact CG1-CD2 4.18Å; V267-F286 HydrophobicContact CG1-CE1 4.45Å; V267-F286 HydrophobicContact CG1-CG 3.92Å; V267-F286 HydrophobicContact CG2-CZ 4.39Å; F281-F286 HydrophobicContact CB-CD2 4.11Å; F281-F286 AromaticContact CD1-CD2 3.91Å; F281-F286 HydrophobicContact CD1-CD2 3.91Å; F281-F286 AromaticContact CD1-CE2 3.61Å; F281-F286 HydrophobicContact CD1-CE2 3.61Å; F281-F286 HydrophobicContact CD1-CZ 4.44Å; F281-F286 HydrophobicContact CE1-CE2 4.3Å; F281-F286 WeakPolarHBondContact O-CD2 3.23Å; F281-F286 PolarHBondContact O-N 2.9Å; L284-F286 HydrophobicContact CB-CD2 4.28Å; L284-F286 HydrophobicContact CB-CE2 4.4Å; L284-F286 HydrophobicContact CD1-CE2 4.48Å
287	D	93.7	Very high	89	Confident	39 Å²	39	50.2 Å²	50.2	21%	0.209	24%	0.237	C	C	.	.	S	Bend	trans	-83.9	-27.9	179.1	-57.8	-64.1	0	0	0	111.6	F17 K18 T264 S265	F17-D287 CarbonylContact C-O 3.58Å; F17-D287 VanDerWaalsContact CA-O 3.25Å; F17-D287 WeakPolarHBondContact CA-O 3.41Å; K18-D287 PolarHBondContact N-O 3.01Å; T264-D287 WeakPolarHBondContact CA-OD2 3.15Å; T264-D287 HydrophobicContact CG2-CB 3.34Å; T264-D287 WeakPolarHBondContact CG2-OD2 3.17Å; S265-D287 PolarHBondContact N-OD2 3.19Å; S265-D287 PolarHBondContact O-N 3.38Å
288	G	93	Very high	88.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.9	173.1	0	0	0	0	0	112.7	E16 S265 F266 V267	E16-G288 CarbonylContact O-C 3.58Å; E16-G288 VanDerWaalsContact O-CA 3.32Å; E16-G288 WeakPolarHBondContact O-CA 3.5Å; S265-G288 PolarHBondContact O-N 3.18Å; F266-G288 CarbonylContact C-O 3.38Å; F266-G288 WeakPolarHBondContact CA-O 3.49Å; V267-G288 PolarHBondContact N-O 2.97Å
289	V	92.8	Very high	88.8	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121.7	173.8	-175.3	0	0	0	0	107.8	I15 E16 V267 L272 V278 Y291	I15-V289 WeakPolarHBondContact CA-O 3.18Å; E16-V289 PolarHBondContact N-O 3.08Å; E16-V289 PolarHBondContact O-N 3.08Å; V267-V289 HydrophobicContact CG1-CB 4.25Å; V267-V289 HydrophobicContact CG1-CG1 3.98Å; V267-V289 HydrophobicContact CG1-CG2 3.97Å; L272-V289 HydrophobicContact CD1-CG1 3.81Å; L272-V289 HydrophobicContact CD2-CG1 3.65Å; L272-V289 HydrophobicContact CG-CG1 4.31Å; V278-V289 HydrophobicContact CG1-CG1 4.18Å; V278-V289 HydrophobicContact CG2-CG1 4.4Å; V289-Y291 HydrophobicContact CG1-CD1 3.98Å
290	I	91.5	Very high	88.6	Confident	7 Å²	7	52.4 Å²	52.4	4%	0.036	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118.1	-178.6	-47.1	-179.8	0	0	0	108	D13 R14 I15 E33 F266 V267 W268 L272	D13-I290 HydrophobicContact CB-CG2 3.82Å; R14-I290 WeakPolarHBondContact O-CA 3.3Å; I15-I290 HydrophobicContact CD1-CD1 4.18Å; I15-I290 HydrophobicContact CD1-CG1 4.03Å; I15-I290 HydrophobicContact CG1-CB 4.42Å; I15-I290 HydrophobicContact CG1-CG1 3.97Å; I15-I290 HydrophobicContact CG1-CG2 4.2Å; I15-I290 HydrophobicContact CG2-CG1 4.43Å; E33-I290 HydrophobicContact CB-CG2 4.21Å; E33-I290 HydrophobicContact CG-CG2 4.1Å; F266-I290 HydrophobicContact CD1-CD1 4.18Å; F266-I290 HydrophobicContact CD1-CG1 4.14Å; V267-I290 PolarHBondContact O-N 3.2Å; W268-I290 HydrophobicContact CB-CB 3.98Å; W268-I290 HydrophobicContact CB-CD1 4.41Å; L272-I290 WeakPolarHBondContact CD1-O 3.47Å
291	Y	86.3	Confident	88.2	Confident	28 Å²	28	50.4 Å²	50.4	11%	0.11	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.7	-176.4	64.8	-78.4	0	0	0	112.1	R14 E16 V278 V289 Q293	R14-Y291 HydrophobicContact CB-CE1 4.48Å; R14-Y291 PolarHBondContact N-O 3.08Å; R14-Y291 PolarHBondContact O-N 3.29Å; E16-Y291 HydrophobicContact CB-CE1 4.28Å; E16-Y291 HydrophobicContact CG-CE1 3.83Å; E16-Y291 WeakPolarHBondContact CG-OH 3.27Å; E16-Y291 PolarHBondContact OE1-OH 3.09Å; V278-Y291 HydrophobicContact CG1-CE1 4.37Å; V278-Y291 HydrophobicContact CG2-CD1 4.23Å; V278-Y291 HydrophobicContact CG2-CD2 4.29Å; V278-Y291 HydrophobicContact CG2-CG 4.12Å; V289-Y291 HydrophobicContact CG1-CD1 3.98Å; Y291-Q293 HydrophobicContact CE2-CG 4.28Å
292	D	74.9	Confident	87.8	Confident	103 Å²	103	54.6 Å²	54.6	55%	0.551	26%	0.257	S	S	*	.			trans	-65.9	149.7	175.6	-49.1	35.4	0	0	0	111.1	D13	D13-D292 WeakPolarHBondContact OD1-CA 3.27Å; D13-D292 VanDerWaalsContact OD1-CG 3.22Å; D13-D292 VanDerWaalsContact OD1-OD1 3.13Å
293	Q	61.2	Low	87.7	Confident	188 Å²	188	53.4 Å²	53.4	88%	0.879	26%	0.257	S	S	*	.			trans	-113.4	0	169.7	-90.4	-156.6	-28.4	0	0	113	R14 Y291	R14-Q293 HydrophobicContact CG-CG 4.42Å; R14-Q293 VanDerWaalsContact NE-CD 3.34Å; Y291-Q293 HydrophobicContact CE2-CG 4.28Å

Retrieved 293 of 293 residues in 173.9 ms (Link to these results)

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