A0A077Z2Y5_TRITR Loading...

Actin-related protein 2/3 complex subunit

Functions as component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession A0A077Z2Y5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 380 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	Very low	51.9	Low	90 Å²	90	69.9 Å²	69.9	44%	0.443	42%	0.423	S	S	.	.				0	149.8	0	-64.8	-176.8	-166.9	0	0	108.6	V369 I372	M1-V369 HydrophobicContact SD-CG1 4.29Å; M1-I372 HydrophobicContact CG-CD1 3.83Å; M1-I372 HydrophobicContact CG-CG1 4.04Å
2	V	35.8	Very low	55	Low	74 Å²	74	72.5 Å²	72.5	45%	0.448	43%	0.427	S	S	.	.			trans	-101.1	109.7	169.9	179	0	0	0	0	105.5	G4	V2-G4 PolarHBondContact O-N 2.93Å; V2-G4 VanDerWaalsContact O-N 3.08Å
3	F	40.9	Very low	57.9	Low	8 Å²	8	74.4 Å²	74.4	4%	0.035	43%	0.429	C	S	.	.			trans	-63.3	110.8	170.4	-71	-87.2	0	0	0	107.6	S270 L282 E349 K368 V369	F3-S270 VanDerWaalsContact CD2-OG 3.24Å; F3-S270 WeakPolarHBondContact CD2-OG 3.47Å; F3-L282 HydrophobicContact CB-CD2 3.68Å; F3-E349 HydrophobicContact CZ-CG 4.47Å; F3-E349 WeakPolarHBondContact CZ-OE2 3.22Å; F3-K368 WeakPolarHBondContact CD1-O 3.29Å; F3-V369 HydrophobicContact CE1-CG2 4.33Å
4	G	36.9	Very low	60.3	Low	42 Å²	42	71 Å²	71	43%	0.433	41%	0.407	S	S	.	.			trans	-92.5	145.5	168.7	0	0	0	0	0	109.8	V2	V2-G4 PolarHBondContact O-N 2.93Å; V2-G4 VanDerWaalsContact O-N 3.08Å
5	C	40.3	Very low	62.2	Low	64 Å²	64	73.9 Å²	73.9	43%	0.432	42%	0.42	S	S	.	.			trans	-83.6	113.4	168.1	-152.5	0	0	0	0	108
6	P	46.6	Very low	63.8	Low	82 Å²	82	70.7 Å²	70.7	53%	0.532	40%	0.4	S	S	.	.				-141	151.7	104	25.5	-5.1	0	0	0	114.4
7	R	51.7	Low	64.6	Low	89 Å²	89	70.2 Å²	70.2	34%	0.336	41%	0.414	S	S	.	.			trans	-78.5	112	-175.4	-60.2	175.3	-178.4	-178.3	-1.8	111.6	L297 D298 V299	R7-L297 PolarHBondContact NH2-O 2.95Å; R7-D298 VanDerWaalsContact NH2-CA 3.35Å; R7-D298 IonicContact NH2-OD1 2.88Å; R7-D298 PolarHBondContact NH2-OD1 3.33Å; R7-V299 PolarHBondContact NH1-O 2.82Å; R7-V299 PolarHBondContact NH2-O 3.26Å
8	D	51.5	Low	65.5	Low	135 Å²	135	70.5 Å²	70.5	72%	0.722	41%	0.414	S	S	*	.	S	Bend	trans	-94	-21.8	168.5	-68.5	-37.5	0	0	0	112.3	K368	D8-K368 IonicContact OD2-NZ 2.76Å; D8-K368 PolarHBondContact OD2-NZ 3.26Å
9	A	62.3	Low	66.8	Low	47 Å²	47	68.4 Å²	68.4	39%	0.388	41%	0.408	S	S	.	.	S	Bend	trans	-110.5	137.5	173.3	0	0	0	0	0	110.6	P366	A9-P366 HydrophobicContact CB-CB 4.03Å; A9-P366 HydrophobicContact CB-CG 3.86Å; A9-P366 VanDerWaalsContact O-CG 3.31Å; A9-P366 WeakPolarHBondContact O-CG 3.38Å
10	P	77.9	Confident	68.2	Low	104 Å²	104	67.9 Å²	67.9	68%	0.675	41%	0.407	S	S	*	.			trans	-66.6	141.7	178.7	27.9	-33.4	0	0	0	110.5
11	V	87.3	Confident	69.6	Low	34 Å²	34	64.7 Å²	64.7	21%	0.206	39%	0.388	C	S	.	.			trans	-61.7	142.4	165	-66.7	0	0	0	0	109	L332 I363 L364 W365	V11-L332 HydrophobicContact CG2-CD1 3.73Å; V11-I363 HydrophobicContact CB-CG2 4.28Å; V11-L364 WeakPolarHBondContact CA-O 3.41Å; V11-W365 HydrophobicContact CG1-CD2 4.34Å; V11-W365 HydrophobicContact CG1-CE3 3.64Å; V11-W365 HydrophobicContact CG1-CZ3 3.99Å
12	Q	89.6	Confident	72.1	Confident	101 Å²	101	61.9 Å²	61.9	47%	0.472	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.7	177.8	-58.4	178.3	26.6	0	0	108.4	F14 I363 L364	Q12-F14 HydrophobicContact CB-CE1 4.21Å; Q12-F14 HydrophobicContact CB-CE2 4.21Å; Q12-F14 HydrophobicContact CB-CZ 3.7Å; Q12-I363 CarbonylContact O-C 3.58Å; Q12-I363 VanDerWaalsContact O-CA 3.31Å; Q12-I363 WeakPolarHBondContact O-CA 3.34Å; Q12-L364 HydrophobicContact CB-CB 4.29Å; Q12-L364 PolarHBondContact N-O 3.07Å; Q12-L364 PolarHBondContact O-N 3.21Å
13	Q	92.1	Very high	75	Confident	97 Å²	97	58.5 Å²	58.5	45%	0.453	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.1	178.1	177.2	171.7	4.2	0	0	109.4	I363	Q13-I363 HydrophobicContact CB-CG1 4.03Å; Q13-I363 HydrophobicContact CG-CD1 4.3Å; Q13-I363 HydrophobicContact CG-CG1 3.9Å
14	F	92	Very high	77.8	Confident	27 Å²	27	58.2 Å²	58.2	12%	0.118	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	130.5	176.4	-47	-62.9	0	0	0	108.7	Q12 F16 W47 W52 S361 I362 L364	Q12-F14 HydrophobicContact CB-CE1 4.21Å; Q12-F14 HydrophobicContact CB-CE2 4.21Å; Q12-F14 HydrophobicContact CB-CZ 3.7Å; F14-F16 HydrophobicContact CB-CE2 4.08Å; F14-F16 HydrophobicContact CB-CZ 4.42Å; F14-W47 HydrophobicContact CD1-CZ3 4.17Å; F14-W47 AromaticContact CE1-CH2 3.93Å; F14-W47 HydrophobicContact CE1-CH2 3.93Å; F14-W47 AromaticContact CE1-CZ3 3.63Å; F14-W47 HydrophobicContact CE1-CZ3 3.63Å; F14-W47 HydrophobicContact CZ-CZ3 4.2Å; F14-W52 AromaticContact CD1-CD1 3.68Å; F14-W52 AromaticContact CD1-NE1 3.59Å; F14-W52 AromaticContact CD2-NE1 3.45Å; F14-W52 AromaticContact CE1-NE1 3.71Å; F14-W52 AromaticContact CE2-NE1 3.56Å; F14-W52 AromaticContact CG-CD1 3.66Å; F14-W52 AromaticContact CG-NE1 3.45Å; F14-W52 AromaticContact CZ-NE1 3.69Å; F14-S361 CarbonylContact O-C 3.6Å; F14-S361 WeakPolarHBondContact O-CA 3.32Å; F14-S361 WeakPolarHBondContact O-CB 3.18Å; F14-I362 PolarHBondContact N-O 3.04Å; F14-I362 PolarHBondContact O-N 2.73Å; F14-L364 HydrophobicContact CE2-CD1 3.72Å; F14-L364 HydrophobicContact CE2-CG 3.84Å; F14-L364 HydrophobicContact CZ-CD1 4.21Å
15	D	89.2	Confident	80.7	Confident	114 Å²	114	56.5 Å²	56.5	61%	0.61	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.6	168.8	-174.9	-3.7	0	0	0	107.9	G17	D15-G17 PolarHBondContact OD1-N 3.43Å
16	F	86.8	Confident	83.4	Confident	23 Å²	23	54 Å²	54	10%	0.101	32%	0.319	C	S	.	.			trans	-94.1	-9.2	179.8	-67.2	-90	0	0	0	112.5	F14 N18 I21 I33 I35 F37 Y45 W52 I362	F14-F16 HydrophobicContact CB-CE2 4.08Å; F14-F16 HydrophobicContact CB-CZ 4.42Å; F16-N18 PolarHBondContact O-N 3.3Å; F16-N18 PolarHBondContact O-OD1 3.28Å; F16-I21 HydrophobicContact CD2-CD1 4.49Å; F16-I33 HydrophobicContact CZ-CG2 4.28Å; F16-I35 HydrophobicContact CD1-CD1 4.1Å; F16-I35 HydrophobicContact CD2-CD1 3.73Å; F16-I35 HydrophobicContact CE1-CD1 3.82Å; F16-I35 HydrophobicContact CE2-CD1 3.45Å; F16-I35 VanDerWaalsContact CE2-CD1 3.45Å; F16-I35 HydrophobicContact CG-CD1 4.06Å; F16-I35 HydrophobicContact CZ-CD1 3.49Å; F16-I35 VanDerWaalsContact CZ-CD1 3.49Å; F16-F37 HydrophobicContact CB-CE1 3.71Å; F16-F37 HydrophobicContact CB-CZ 3.5Å; F16-F37 VanDerWaalsContact CB-CZ 3.5Å; F16-F37 HydrophobicContact CG-CE1 4.34Å; F16-F37 AromaticContact CG-CZ 4Å; F16-F37 HydrophobicContact CG-CZ 4Å; F16-Y45 AromaticContact CD1-CD1 3.76Å; F16-Y45 HydrophobicContact CD1-CD1 3.76Å; F16-Y45 AromaticContact CD1-CD2 3.91Å; F16-Y45 HydrophobicContact CD1-CD2 3.91Å; F16-Y45 AromaticContact CD1-CE1 3.67Å; F16-Y45 HydrophobicContact CD1-CE1 3.67Å; F16-Y45 AromaticContact CD1-CE2 3.81Å; F16-Y45 HydrophobicContact CD1-CE2 3.81Å; F16-Y45 AromaticContact CD1-CG 3.89Å; F16-Y45 HydrophobicContact CD1-CG 3.89Å; F16-Y45 AromaticContact CD1-CZ 3.69Å; F16-Y45 AromaticContact CE1-CD1 3.75Å; F16-Y45 HydrophobicContact CE1-CD1 3.75Å; F16-Y45 AromaticContact CE1-CD2 3.82Å; F16-Y45 HydrophobicContact CE1-CD2 3.82Å; F16-Y45 HydrophobicContact CE1-CE1 4.16Å; F16-Y45 HydrophobicContact CE1-CE2 4.21Å; F16-Y45 AromaticContact CE1-CG 3.58Å; F16-Y45 HydrophobicContact CE1-CG 3.58Å; F16-W52 HydrophobicContact CD1-CB 4.47Å; F16-W52 HydrophobicContact CE1-CB 3.66Å; F16-W52 HydrophobicContact CE1-CD2 4.35Å; F16-W52 AromaticContact CE1-CG 3.8Å; F16-W52 HydrophobicContact CE1-CG 3.8Å; F16-W52 HydrophobicContact CZ-CB 4.27Å; F16-W52 AromaticContact CZ-CD1 3.98Å; F16-W52 HydrophobicContact CZ-CD2 4.27Å; F16-W52 AromaticContact CZ-CG 3.92Å; F16-W52 HydrophobicContact CZ-CG 3.92Å; F16-I362 HydrophobicContact CE2-CB 4.21Å; F16-I362 HydrophobicContact CE2-CD1 3.84Å; F16-I362 HydrophobicContact CE2-CG1 4.01Å
17	G	78.7	Confident	85.9	Confident	62 Å²	62	50.6 Å²	50.6	64%	0.639	30%	0.296	S	S	*	.	S	Bend	trans	71.6	8	174.7	0	0	0	0	0	115.6	D15	D15-G17 PolarHBondContact OD1-N 3.43Å
18	N	79.6	Confident	88	Confident	76 Å²	76	52 Å²	52	41%	0.406	30%	0.304	S	S	.	.	S	Bend	trans	-104.8	6.7	-171	-73.9	21.7	0	0	0	114	F16 F37 Y45	F16-N18 PolarHBondContact O-N 3.3Å; F16-N18 PolarHBondContact O-OD1 3.28Å; N18-F37 HydrophobicContact CB-CB 4.18Å; N18-F37 HydrophobicContact CB-CD1 3.66Å; N18-F37 HydrophobicContact CB-CD2 3.42Å; N18-F37 VanDerWaalsContact CB-CD2 3.42Å; N18-F37 HydrophobicContact CB-CE1 3.82Å; N18-F37 HydrophobicContact CB-CE2 3.59Å; N18-F37 HydrophobicContact CB-CG 3.46Å; N18-F37 VanDerWaalsContact CB-CG 3.46Å; N18-F37 HydrophobicContact CB-CZ 3.79Å; N18-F37 WeakPolarHBondContact O-CB 3.47Å; N18-Y45 PolarHBondContact ND2-OH 3.23Å
19	G	90.8	Very high	90	Very high	30 Å²	30	50.3 Å²	50.3	31%	0.309	30%	0.296	S	S	.	.	S	Bend	trans	98.5	-167.5	178.7	0	0	0	0	0	114.1	I21 F37 G360	G19-I21 PolarHBondContact O-N 3.24Å; G19-F37 WeakPolarHBondContact O-CD1 3.45Å; G19-G360 WeakPolarHBondContact O-CA 3.31Å
20	P	95.5	Very high	91.6	Very high	59 Å²	59	51.2 Å²	51.2	38%	0.383	29%	0.289	S	S	.	.			trans	-60.5	134.3	-170.4	-23.4	33.6	0	0	0	112.8	F37 A38 L358	P20-F37 CarbonylContact O-C 3.53Å; P20-F37 WeakPolarHBondContact O-CA 3.33Å; P20-A38 HydrophobicContact CB-CB 4.4Å; P20-A38 PolarHBondContact O-N 3.29Å; P20-L358 WeakPolarHBondContact CA-O 3.45Å; P20-L358 HydrophobicContact CB-CB 4.32Å; P20-L358 HydrophobicContact CB-CD2 4.11Å; P20-L358 WeakPolarHBondContact CB-O 3.09Å
21	I	96.8	Very high	92.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.275	C	S	.	.			trans	-89.1	118.3	176.2	-63.4	168.9	0	0	0	109.5	F16 G19 I35 F37 S338 A356 S357 G360 I362	F16-I21 HydrophobicContact CD2-CD1 4.49Å; G19-I21 PolarHBondContact O-N 3.24Å; I21-I35 HydrophobicContact CB-CG2 4.37Å; I21-I35 HydrophobicContact CD1-CG2 4.06Å; I21-I35 HydrophobicContact CG1-CG2 3.81Å; I21-I35 HydrophobicContact CG2-CG2 3.73Å; I21-F37 HydrophobicContact CD1-CE1 4.12Å; I21-F37 HydrophobicContact CG1-CD1 3.74Å; I21-F37 HydrophobicContact CG1-CE1 3.72Å; I21-S338 WeakPolarHBondContact O-CB 3.36Å; I21-S338 PolarHBondContact O-OG 3.08Å; I21-A356 HydrophobicContact CB-CB 4.07Å; I21-A356 HydrophobicContact CG2-CB 3.59Å; I21-S357 PolarHBondContact N-O 2.62Å; I21-S357 VanDerWaalsContact N-O 3.11Å; I21-G360 WeakPolarHBondContact CD1-O 3.16Å; I21-I362 HydrophobicContact CD1-CD1 3.93Å; I21-I362 HydrophobicContact CD1-CG1 3.46Å; I21-I362 VanDerWaalsContact CD1-CG1 3.46Å
22	S	92.8	Very high	92.9	Very high	31 Å²	31	49.9 Å²	49.9	22%	0.217	28%	0.276	C	S	.	.			trans	-86.2	-35.9	178.7	46.2	0	0	0	0	113.1	S36 A38	S22-S36 PolarHBondContact N-O 3.38Å; S22-S36 PolarHBondContact OG-O 3.49Å; S22-S36 PolarHBondContact OG-OG 2.51Å; S22-A38 WeakPolarHBondContact OG-CA 3.22Å; S22-A38 PolarHBondContact OG-N 2.82Å
23	C	96.8	Very high	93.2	Very high	4 Å²	4	45.1 Å²	45.1	3%	0.027	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	155	178.1	46.7	0	0	0	0	111.3	S36 E339	C23-S36 PolarHBondContact O-N 3.19Å; C23-E339 WeakPolarHBondContact CA-OE2 3.43Å; C23-E339 WeakPolarHBondContact CB-OE2 3.31Å
24	H	98	Very high	93.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	155.6	179.8	69.7	-75	0	0	0	113.2	W26 I33 A34 I35 E339 S354 A356 I362	H24-W26 AromaticContact CD2-NE1 3.76Å; H24-I33 HydrophobicContact CB-CD1 4.28Å; H24-A34 CarbonylContact C-O 3.58Å; H24-A34 WeakPolarHBondContact CA-O 3.38Å; H24-I35 HydrophobicContact CB-CG1 4.43Å; H24-E339 PolarHBondContact N-OE2 2.98Å; H24-E339 IonicContact ND1-OE2 2.75Å; H24-S354 PolarHBondContact NE2-OG 3.49Å; H24-A356 VanDerWaalsContact ND1-CB 3.25Å; H24-A356 WeakPolarHBondContact ND1-CB 3.19Å; H24-I362 HydrophobicContact CB-CD1 4.4Å
25	A	98.4	Very high	93.8	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	144.7	174.9	0	0	0	0	0	111.9	I33 A34 I68 W70	A25-I33 WeakPolarHBondContact O-CA 3.46Å; A25-I33 WeakPolarHBondContact O-CG1 3.38Å; A25-A34 PolarHBondContact N-O 2.84Å; A25-A34 PolarHBondContact O-N 3.43Å; A25-I68 HydrophobicContact CB-CB 4.35Å; A25-I68 HydrophobicContact CB-CG2 3.73Å; A25-W70 HydrophobicContact CB-CB 3.96Å
26	W	98	Very high	94.2	Very high	13 Å²	13	33.8 Å²	33.8	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.8	178.3	-66.4	92.2	0	0	0	111.2	H24 R30 I33 W52 H343 S354 I362 L364	H24-W26 AromaticContact CD2-NE1 3.76Å; W26-R30 HydrophobicContact CE3-CB 4.2Å; W26-I33 HydrophobicContact CD2-CB 4.22Å; W26-I33 HydrophobicContact CD2-CD1 4.2Å; W26-I33 HydrophobicContact CD2-CG1 4.06Å; W26-I33 HydrophobicContact CE3-CB 3.97Å; W26-I33 HydrophobicContact CE3-CG1 4.33Å; W26-I33 HydrophobicContact CH2-CB 4.28Å; W26-I33 HydrophobicContact CH2-CD1 4.03Å; W26-I33 HydrophobicContact CZ2-CB 4.49Å; W26-I33 HydrophobicContact CZ2-CD1 3.53Å; W26-I33 HydrophobicContact CZ2-CG1 4.25Å; W26-I33 HydrophobicContact CZ3-CB 4.04Å; W26-W52 AromaticContact CH2-CH2 3.97Å; W26-W52 HydrophobicContact CH2-CH2 3.97Å; W26-W52 AromaticContact CH2-CZ2 3.7Å; W26-W52 HydrophobicContact CH2-CZ2 3.7Å; W26-W52 AromaticContact CZ3-CH2 3.55Å; W26-W52 HydrophobicContact CZ3-CH2 3.55Å; W26-W52 AromaticContact CZ3-CZ2 3.76Å; W26-W52 HydrophobicContact CZ3-CZ2 3.76Å; W26-H343 AromaticContact CD2-CD2 3.78Å; W26-H343 AromaticContact CE2-CD2 3.64Å; W26-H343 AromaticContact CE3-CD2 3.86Å; W26-H343 AromaticContact CH2-CD2 3.7Å; W26-H343 AromaticContact CH2-NE2 3.91Å; W26-H343 AromaticContact CZ2-CD2 3.64Å; W26-H343 AromaticContact CZ3-CD2 3.78Å; W26-H343 AromaticContact CZ3-NE2 3.75Å; W26-S354 PolarHBondContact NE1-OG 3.4Å; W26-I362 HydrophobicContact CZ2-CG2 4.47Å; W26-L364 HydrophobicContact CH2-CD2 4.24Å; W26-L364 HydrophobicContact CZ2-CD2 3.76Å
27	N	97.5	Very high	94.7	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.048	20%	0.195	C	C	.	.			trans	-69.3	168.7	168.6	75.7	-19.1	0	0	0	111.3	D29 R30 T31 Q32 W70	N27-D29 PolarHBondContact ND2-OD1 2.79Å; N27-D29 PolarHBondContact O-N 2.84Å; N27-D29 PolarHBondContact OD1-OD1 2.91Å; N27-R30 WeakPolarHBondContact O-CD 3.29Å; N27-R30 PolarHBondContact O-N 3.38Å; N27-R30 VanDerWaalsContact O-N 3.13Å; N27-R30 PolarHBondContact O-NH1 3.01Å; N27-R30 VanDerWaalsContact OD1-CA 3.27Å; N27-R30 WeakPolarHBondContact OD1-CA 3.34Å; N27-R30 PolarHBondContact OD1-N 2.86Å; N27-T31 PolarHBondContact ND2-OG1 2.74Å; N27-T31 VanDerWaalsContact ND2-OG1 3.13Å; N27-T31 PolarHBondContact OD1-N 2.79Å; N27-Q32 HydrophobicContact CB-CB 4.32Å; N27-Q32 PolarHBondContact N-O 2.81Å; N27-Q32 VanDerWaalsContact N-O 3.11Å; N27-Q32 PolarHBondContact ND2-N 2.75Å; N27-Q32 PolarHBondContact OD1-N 2.94Å; N27-Q32 PolarHBondContact OD1-O 3.4Å; N27-Q32 VanDerWaalsContact OD1-O 3.1Å; N27-W70 HydrophobicContact CB-CD2 3.74Å; N27-W70 VanDerWaalsContact CB-CE2 3.48Å; N27-W70 HydrophobicContact CB-CE3 3.95Å; N27-W70 HydrophobicContact CB-CG 4.42Å; N27-W70 HydrophobicContact CB-CH2 3.76Å; N27-W70 HydrophobicContact CB-CZ2 3.5Å; N27-W70 HydrophobicContact CB-CZ3 3.97Å
28	K	96.3	Very high	95.5	Very high	118 Å²	118	31.2 Å²	31.2	51%	0.513	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-44.3	-171.2	177.2	169.5	168.6	178.6	0	115.4	P72	K28-P72 HydrophobicContact CB-CB 3.84Å; K28-P72 VanDerWaalsContact CB-O 3.28Å; K28-P72 WeakPolarHBondContact CB-O 3.49Å; K28-P72 HydrophobicContact CD-CB 4.32Å; K28-P72 WeakPolarHBondContact CD-O 3.4Å; K28-P72 HydrophobicContact CG-CB 4.09Å
29	D	94.5	Very high	96.3	Very high	101 Å²	101	29.1 Å²	29.1	54%	0.54	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	1.1	-175.6	64	-15.7	0	0	0	113.1	N27 T31	N27-D29 PolarHBondContact ND2-OD1 2.79Å; N27-D29 PolarHBondContact O-N 2.84Å; N27-D29 PolarHBondContact OD1-OD1 2.91Å; D29-T31 HydrophobicContact CB-CG2 4.28Å; D29-T31 PolarHBondContact O-N 2.94Å; D29-T31 PolarHBondContact OD1-N 3.41Å; D29-T31 PolarHBondContact OD1-OG1 2.81Å; D29-T31 WeakPolarHBondContact OD2-CG2 3.16Å; D29-T31 PolarHBondContact OD2-OG1 3.09Å
30	R	94.9	Very high	96.6	Very high	66 Å²	66	29.2 Å²	29.2	25%	0.249	16%	0.159	C	C	.	.	S	Bend	trans	61.7	22.6	179	-42	-55.9	176.2	-145.2	10.8	114.1	W26 N27 H343	W26-R30 HydrophobicContact CE3-CB 4.2Å; N27-R30 WeakPolarHBondContact O-CD 3.29Å; N27-R30 PolarHBondContact O-N 3.38Å; N27-R30 VanDerWaalsContact O-N 3.13Å; N27-R30 PolarHBondContact O-NH1 3.01Å; N27-R30 VanDerWaalsContact OD1-CA 3.27Å; N27-R30 WeakPolarHBondContact OD1-CA 3.34Å; N27-R30 PolarHBondContact OD1-N 2.86Å; R30-H343 WeakPolarHBondContact CD-O 3.36Å; R30-H343 VanDerWaalsContact CG-O 3.23Å; R30-H343 WeakPolarHBondContact CG-O 3.43Å; R30-H343 PolarHBondContact NE-O 3.39Å
31	T	94.6	Very high	96.7	Very high	62 Å²	62	28.9 Å²	28.9	38%	0.38	15%	0.152	S	C	.	.	S	Bend	trans	-84.8	-18.8	175.2	59.7	0	0	0	0	112.3	N27 D29 W47	N27-T31 PolarHBondContact ND2-OG1 2.74Å; N27-T31 VanDerWaalsContact ND2-OG1 3.13Å; N27-T31 PolarHBondContact OD1-N 2.79Å; D29-T31 HydrophobicContact CB-CG2 4.28Å; D29-T31 PolarHBondContact O-N 2.94Å; D29-T31 PolarHBondContact OD1-N 3.41Å; D29-T31 PolarHBondContact OD1-OG1 2.81Å; D29-T31 WeakPolarHBondContact OD2-CG2 3.16Å; D29-T31 PolarHBondContact OD2-OG1 3.09Å; T31-W47 PolarHBondContact O-N 2.94Å
32	Q	97.1	Very high	96.8	Very high	48 Å²	48	28.9 Å²	28.9	22%	0.224	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	149.8	179.1	-56.3	-179.9	20	0	0	112.2	N27 I44 Y45 L55 W70	N27-Q32 HydrophobicContact CB-CB 4.32Å; N27-Q32 PolarHBondContact N-O 2.81Å; N27-Q32 VanDerWaalsContact N-O 3.11Å; N27-Q32 PolarHBondContact ND2-N 2.75Å; N27-Q32 PolarHBondContact OD1-N 2.94Å; N27-Q32 PolarHBondContact OD1-O 3.4Å; N27-Q32 VanDerWaalsContact OD1-O 3.1Å; Q32-I44 HydrophobicContact CB-CG2 4.22Å; Q32-Y45 CarbonylContact C-O 3.56Å; Q32-Y45 WeakPolarHBondContact CA-O 3.36Å; Q32-Y45 WeakPolarHBondContact CB-O 3.29Å; Q32-L55 HydrophobicContact CG-CD1 4.19Å; Q32-W70 HydrophobicContact CB-CH2 3.81Å; Q32-W70 HydrophobicContact CB-CZ3 4.18Å
33	I	97.8	Very high	97	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.6	175.7	-167.5	-179.6	0	0	0	110.3	F16 H24 A25 W26 I35 I44 Y45 W52 I362	F16-I33 HydrophobicContact CZ-CG2 4.28Å; H24-I33 HydrophobicContact CB-CD1 4.28Å; A25-I33 WeakPolarHBondContact O-CA 3.46Å; A25-I33 WeakPolarHBondContact O-CG1 3.38Å; W26-I33 HydrophobicContact CD2-CB 4.22Å; W26-I33 HydrophobicContact CD2-CD1 4.2Å; W26-I33 HydrophobicContact CD2-CG1 4.06Å; W26-I33 HydrophobicContact CE3-CB 3.97Å; W26-I33 HydrophobicContact CE3-CG1 4.33Å; W26-I33 HydrophobicContact CH2-CB 4.28Å; W26-I33 HydrophobicContact CH2-CD1 4.03Å; W26-I33 HydrophobicContact CZ2-CB 4.49Å; W26-I33 HydrophobicContact CZ2-CD1 3.53Å; W26-I33 HydrophobicContact CZ2-CG1 4.25Å; W26-I33 HydrophobicContact CZ3-CB 4.04Å; I33-I35 HydrophobicContact CD1-CD1 4.08Å; I33-I35 HydrophobicContact CD1-CG1 3.95Å; I33-I35 HydrophobicContact CG1-CD1 4.44Å; I33-I35 HydrophobicContact CG1-CG1 3.96Å; I33-I35 HydrophobicContact CG2-CD1 3.99Å; I33-I35 HydrophobicContact CG2-CG1 4.2Å; I33-I44 CarbonylContact O-C 3.54Å; I33-I44 WeakPolarHBondContact O-CA 3.27Å; I33-Y45 PolarHBondContact N-O 3.13Å; I33-Y45 PolarHBondContact O-N 3Å; I33-W52 HydrophobicContact CG2-CE3 4.08Å; I33-W52 HydrophobicContact CG2-CH2 4.19Å; I33-W52 HydrophobicContact CG2-CZ3 3.87Å; I33-I362 HydrophobicContact CD1-CD1 3.27Å
34	A	98.4	Very high	97.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.5	169.9	0	0	0	0	0	109.1	H24 A25 V42 F43 I44 I68 W70 I77	H24-A34 CarbonylContact C-O 3.58Å; H24-A34 WeakPolarHBondContact CA-O 3.38Å; A25-A34 PolarHBondContact N-O 2.84Å; A25-A34 PolarHBondContact O-N 3.43Å; A34-V42 HydrophobicContact CB-CG1 3.99Å; A34-F43 CarbonylContact C-O 3.05Å; A34-F43 WeakPolarHBondContact CA-O 3.25Å; A34-I44 HydrophobicContact CB-CG1 4.24Å; A34-I68 HydrophobicContact CB-CG2 4.03Å; A34-W70 HydrophobicContact CB-CE3 3.9Å; A34-W70 HydrophobicContact CB-CZ3 3.87Å; A34-I77 HydrophobicContact CB-CD1 4.36Å
35	I	98	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	136.9	-174.8	-54	174.9	0	0	0	109.3	F16 I21 H24 I33 F37 V42 F43 Y45 I362	F16-I35 HydrophobicContact CD1-CD1 4.1Å; F16-I35 HydrophobicContact CD2-CD1 3.73Å; F16-I35 HydrophobicContact CE1-CD1 3.82Å; F16-I35 HydrophobicContact CE2-CD1 3.45Å; F16-I35 VanDerWaalsContact CE2-CD1 3.45Å; F16-I35 HydrophobicContact CG-CD1 4.06Å; F16-I35 HydrophobicContact CZ-CD1 3.49Å; F16-I35 VanDerWaalsContact CZ-CD1 3.49Å; I21-I35 HydrophobicContact CB-CG2 4.37Å; I21-I35 HydrophobicContact CD1-CG2 4.06Å; I21-I35 HydrophobicContact CG1-CG2 3.81Å; I21-I35 HydrophobicContact CG2-CG2 3.73Å; H24-I35 HydrophobicContact CB-CG1 4.43Å; I33-I35 HydrophobicContact CD1-CD1 4.08Å; I33-I35 HydrophobicContact CD1-CG1 3.95Å; I33-I35 HydrophobicContact CG1-CD1 4.44Å; I33-I35 HydrophobicContact CG1-CG1 3.96Å; I33-I35 HydrophobicContact CG2-CD1 3.99Å; I33-I35 HydrophobicContact CG2-CG1 4.2Å; I35-F37 HydrophobicContact CB-CE2 4.38Å; I35-F37 HydrophobicContact CB-CZ 4.13Å; I35-F37 HydrophobicContact CD1-CZ 4.27Å; I35-F37 HydrophobicContact CG2-CD1 4.06Å; I35-F37 HydrophobicContact CG2-CD2 4.5Å; I35-F37 HydrophobicContact CG2-CE1 3.63Å; I35-F37 HydrophobicContact CG2-CE2 4.11Å; I35-F37 HydrophobicContact CG2-CG 4.47Å; I35-F37 HydrophobicContact CG2-CZ 3.65Å; I35-V42 WeakPolarHBondContact O-CA 3.37Å; I35-F43 PolarHBondContact N-O 3.09Å; I35-F43 PolarHBondContact O-N 2.9Å; I35-Y45 HydrophobicContact CD1-CD2 4.16Å; I35-Y45 HydrophobicContact CD1-CE2 4.46Å; I35-I362 HydrophobicContact CD1-CD1 3.58Å; I35-I362 HydrophobicContact CG1-CD1 4.03Å
36	S	97.1	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	128.5	160.9	-177.8	0	0	0	0	110.3	S22 C23 A38 S39 E41	S22-S36 PolarHBondContact N-O 3.38Å; S22-S36 PolarHBondContact OG-O 3.49Å; S22-S36 PolarHBondContact OG-OG 2.51Å; C23-S36 PolarHBondContact O-N 3.19Å; S36-A38 PolarHBondContact O-N 3.11Å; S36-S39 PolarHBondContact OG-O 3.22Å; S36-E41 PolarHBondContact OG-O 3.24Å
37	F	96.7	Very high	96.6	Very high	13 Å²	13	34.3 Å²	34.3	6%	0.057	17%	0.169	C	C	.	.			trans	-91.6	48	176.4	-60.3	-72.4	0	0	0	111.5	F16 N18 G19 P20 I21 I35 S39 F43 Y45	F16-F37 HydrophobicContact CB-CE1 3.71Å; F16-F37 HydrophobicContact CB-CZ 3.5Å; F16-F37 VanDerWaalsContact CB-CZ 3.5Å; F16-F37 HydrophobicContact CG-CE1 4.34Å; F16-F37 AromaticContact CG-CZ 4Å; F16-F37 HydrophobicContact CG-CZ 4Å; N18-F37 HydrophobicContact CB-CB 4.18Å; N18-F37 HydrophobicContact CB-CD1 3.66Å; N18-F37 HydrophobicContact CB-CD2 3.42Å; N18-F37 VanDerWaalsContact CB-CD2 3.42Å; N18-F37 HydrophobicContact CB-CE1 3.82Å; N18-F37 HydrophobicContact CB-CE2 3.59Å; N18-F37 HydrophobicContact CB-CG 3.46Å; N18-F37 VanDerWaalsContact CB-CG 3.46Å; N18-F37 HydrophobicContact CB-CZ 3.79Å; N18-F37 WeakPolarHBondContact O-CB 3.47Å; G19-F37 WeakPolarHBondContact O-CD1 3.45Å; P20-F37 CarbonylContact O-C 3.53Å; P20-F37 WeakPolarHBondContact O-CA 3.33Å; I21-F37 HydrophobicContact CD1-CE1 4.12Å; I21-F37 HydrophobicContact CG1-CD1 3.74Å; I21-F37 HydrophobicContact CG1-CE1 3.72Å; I35-F37 HydrophobicContact CB-CE2 4.38Å; I35-F37 HydrophobicContact CB-CZ 4.13Å; I35-F37 HydrophobicContact CD1-CZ 4.27Å; I35-F37 HydrophobicContact CG2-CD1 4.06Å; I35-F37 HydrophobicContact CG2-CD2 4.5Å; I35-F37 HydrophobicContact CG2-CE1 3.63Å; I35-F37 HydrophobicContact CG2-CE2 4.11Å; I35-F37 HydrophobicContact CG2-CG 4.47Å; I35-F37 HydrophobicContact CG2-CZ 3.65Å; F37-S39 PolarHBondContact O-N 3.24Å; F37-S39 VanDerWaalsContact O-N 3.11Å; F37-F43 AromaticContact CD2-CD2 3.4Å; F37-F43 HydrophobicContact CD2-CD2 3.4Å; F37-F43 VanDerWaalsContact CD2-CD2 3.4Å; F37-F43 AromaticContact CD2-CE2 3.73Å; F37-F43 HydrophobicContact CD2-CE2 3.73Å; F37-F43 HydrophobicContact CD2-CG 4.29Å; F37-F43 HydrophobicContact CE2-CB 4.15Å; F37-F43 AromaticContact CE2-CD2 3.59Å; F37-F43 HydrophobicContact CE2-CD2 3.59Å; F37-F43 HydrophobicContact CE2-CE2 4.28Å; F37-F43 HydrophobicContact CE2-CG 4.04Å; F37-Y45 HydrophobicContact CE2-CE2 4.02Å; F37-Y45 HydrophobicContact CZ-CE2 4.08Å
38	A	95	Very high	96.2	Very high	18 Å²	18	36.1 Å²	36.1	15%	0.149	18%	0.182	C	C	.	.	S	Bend	trans	58.7	28.4	179.7	0	0	0	0	0	113.1	P20 S22 S36 R64	P20-A38 HydrophobicContact CB-CB 4.4Å; P20-A38 PolarHBondContact O-N 3.29Å; S22-A38 WeakPolarHBondContact OG-CA 3.22Å; S22-A38 PolarHBondContact OG-N 2.82Å; S36-A38 PolarHBondContact O-N 3.11Å; A38-R64 PolarHBondContact O-NE 2.91Å; A38-R64 PolarHBondContact O-NH2 3.2Å
39	S	96.5	Very high	95.7	Very high	31 Å²	31	37.5 Å²	37.5	22%	0.217	20%	0.195	C	C	.	.	S	Bend	trans	-124.1	179.8	-176.6	74.6	0	0	0	0	111.9	S36 F37 E41 R64 V65	S36-S39 PolarHBondContact OG-O 3.22Å; F37-S39 PolarHBondContact O-N 3.24Å; F37-S39 VanDerWaalsContact O-N 3.11Å; S39-E41 WeakPolarHBondContact CB-OE2 3.44Å; S39-E41 PolarHBondContact O-N 3.29Å; S39-E41 PolarHBondContact OG-N 3.03Å; S39-E41 PolarHBondContact OG-OE2 2.89Å; S39-R64 CarbonylContact O-C 3.52Å; S39-R64 VanDerWaalsContact O-CA 3.29Å; S39-R64 WeakPolarHBondContact O-CA 3.49Å; S39-V65 PolarHBondContact O-N 2.88Å
40	S	97.5	Very high	95.3	Very high	32 Å²	32	35.4 Å²	35.4	22%	0.224	20%	0.197	C	C	.	.	S	Bend	trans	-68.1	-22.5	175.6	22.8	0	0	0	0	113.2	H61 L63 V65	S40-H61 WeakPolarHBondContact CB-O 3.42Å; S40-H61 WeakPolarHBondContact O-CB 3.46Å; S40-L63 WeakPolarHBondContact CA-O 3.36Å; S40-V65 VanDerWaalsContact O-CG2 3.29Å; S40-V65 WeakPolarHBondContact O-CG2 3.16Å
41	E	97.6	Very high	95	Very high	52 Å²	52	35.1 Å²	35.1	24%	0.243	20%	0.204	C	C	.	.			trans	-95	154.8	-172.6	-51.2	74.8	-157.8	0	0	112.1	S36 S39 F43 L58 T59	S36-E41 PolarHBondContact OG-O 3.24Å; S39-E41 WeakPolarHBondContact CB-OE2 3.44Å; S39-E41 PolarHBondContact O-N 3.29Å; S39-E41 PolarHBondContact OG-N 3.03Å; S39-E41 PolarHBondContact OG-OE2 2.89Å; E41-F43 HydrophobicContact CB-CD2 4.49Å; E41-F43 HydrophobicContact CB-CE2 3.8Å; E41-F43 HydrophobicContact CB-CZ 3.9Å; E41-F43 HydrophobicContact CG-CZ 4.47Å; E41-L58 WeakPolarHBondContact CA-O 3.32Å; E41-T59 HydrophobicContact CG-CG2 4.01Å
42	V	98.3	Very high	94.9	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	128.6	165.3	178.4	0	0	0	0	109.2	A34 I35 L58 V65 I68 T79	A34-V42 HydrophobicContact CB-CG1 3.99Å; I35-V42 WeakPolarHBondContact O-CA 3.37Å; V42-L58 HydrophobicContact CB-CB 4.08Å; V42-L58 HydrophobicContact CB-CD1 3.97Å; V42-L58 HydrophobicContact CB-CG 4.37Å; V42-L58 HydrophobicContact CG1-CD1 3.99Å; V42-L58 PolarHBondContact N-O 3.42Å; V42-L58 WeakPolarHBondContact O-CB 3.33Å; V42-L58 PolarHBondContact O-N 2.8Å; V42-V65 HydrophobicContact CG2-CB 4.17Å; V42-V65 HydrophobicContact CG2-CG1 3.81Å; V42-V65 HydrophobicContact CG2-CG2 3.77Å; V42-I68 HydrophobicContact CB-CD1 4.39Å; V42-I68 HydrophobicContact CG1-CD1 3.66Å; V42-I68 HydrophobicContact CG1-CG1 4.45Å; V42-I68 HydrophobicContact CG2-CD1 3.83Å; V42-I68 HydrophobicContact CG2-CG1 4.15Å; V42-T79 HydrophobicContact CG2-CG2 3.95Å
43	F	98	Very high	94.8	Very high	21 Å²	21	35.5 Å²	35.5	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.2	-179.5	-60.8	-87.6	0	0	0	109.7	A34 I35 F37 E41 Y45 K54 E57	A34-F43 CarbonylContact C-O 3.05Å; A34-F43 WeakPolarHBondContact CA-O 3.25Å; I35-F43 PolarHBondContact N-O 3.09Å; I35-F43 PolarHBondContact O-N 2.9Å; F37-F43 AromaticContact CD2-CD2 3.4Å; F37-F43 HydrophobicContact CD2-CD2 3.4Å; F37-F43 VanDerWaalsContact CD2-CD2 3.4Å; F37-F43 AromaticContact CD2-CE2 3.73Å; F37-F43 HydrophobicContact CD2-CE2 3.73Å; F37-F43 HydrophobicContact CD2-CG 4.29Å; F37-F43 HydrophobicContact CE2-CB 4.15Å; F37-F43 AromaticContact CE2-CD2 3.59Å; F37-F43 HydrophobicContact CE2-CD2 3.59Å; F37-F43 HydrophobicContact CE2-CE2 4.28Å; F37-F43 HydrophobicContact CE2-CG 4.04Å; E41-F43 HydrophobicContact CB-CD2 4.49Å; E41-F43 HydrophobicContact CB-CE2 3.8Å; E41-F43 HydrophobicContact CB-CZ 3.9Å; E41-F43 HydrophobicContact CG-CZ 4.47Å; F43-Y45 HydrophobicContact CB-CD2 4.14Å; F43-Y45 HydrophobicContact CB-CE2 3.48Å; F43-Y45 VanDerWaalsContact CB-CE2 3.48Å; F43-Y45 HydrophobicContact CG-CE2 4.42Å; F43-K54 HydrophobicContact CD1-CD 3.66Å; F43-K54 HydrophobicContact CE1-CD 4.23Å; F43-E57 HydrophobicContact CD1-CB 4.36Å; F43-E57 HydrophobicContact CD1-CG 3.83Å; F43-E57 HydrophobicContact CE1-CB 4.5Å; F43-E57 VanDerWaalsContact CE1-CD 3.42Å; F43-E57 HydrophobicContact CE1-CG 3.58Å; F43-E57 HydrophobicContact CZ-CG 4.33Å
44	I	98	Very high	94.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.6	174.2	-58.2	175	0	0	0	108.2	Q32 I33 A34 L55 H56 L58 W70 I77 W96	Q32-I44 HydrophobicContact CB-CG2 4.22Å; I33-I44 CarbonylContact O-C 3.54Å; I33-I44 WeakPolarHBondContact O-CA 3.27Å; A34-I44 HydrophobicContact CB-CG1 4.24Å; I44-L55 PolarHBondContact O-N 2.86Å; I44-H56 HydrophobicContact CB-CB 4.12Å; I44-H56 HydrophobicContact CD1-CB 4.24Å; I44-H56 HydrophobicContact CG1-CB 4.48Å; I44-H56 PolarHBondContact N-O 2.93Å; I44-H56 PolarHBondContact O-N 3.04Å; I44-L58 HydrophobicContact CD1-CD1 4.12Å; I44-L58 HydrophobicContact CD1-CD2 4.48Å; I44-L58 HydrophobicContact CD1-CG 4.42Å; I44-L58 HydrophobicContact CG1-CD1 4.44Å; I44-W70 HydrophobicContact CD1-CH2 4.4Å; I44-W70 HydrophobicContact CG2-CH2 3.93Å; I44-W70 HydrophobicContact CG2-CZ3 4.27Å; I44-I77 HydrophobicContact CD1-CD1 3.56Å; I44-I77 HydrophobicContact CG1-CD1 4.31Å; I44-W96 HydrophobicContact CD1-CD2 4.06Å; I44-W96 VanDerWaalsContact CD1-CE2 3.48Å; I44-W96 HydrophobicContact CD1-CG 4.2Å; I44-W96 HydrophobicContact CD1-CZ2 3.91Å; I44-W96 VanDerWaalsContact CD1-NE1 3.29Å
45	Y	97.4	Very high	94.6	Very high	18 Å²	18	44.5 Å²	44.5	7%	0.071	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	145	175	-67.1	-100.3	0	0	0	110.4	F16 N18 Q32 I33 I35 F37 F43 W52 Q53 K54	F16-Y45 AromaticContact CD1-CD1 3.76Å; F16-Y45 HydrophobicContact CD1-CD1 3.76Å; F16-Y45 AromaticContact CD1-CD2 3.91Å; F16-Y45 HydrophobicContact CD1-CD2 3.91Å; F16-Y45 AromaticContact CD1-CE1 3.67Å; F16-Y45 HydrophobicContact CD1-CE1 3.67Å; F16-Y45 AromaticContact CD1-CE2 3.81Å; F16-Y45 HydrophobicContact CD1-CE2 3.81Å; F16-Y45 AromaticContact CD1-CG 3.89Å; F16-Y45 HydrophobicContact CD1-CG 3.89Å; F16-Y45 AromaticContact CD1-CZ 3.69Å; F16-Y45 AromaticContact CE1-CD1 3.75Å; F16-Y45 HydrophobicContact CE1-CD1 3.75Å; F16-Y45 AromaticContact CE1-CD2 3.82Å; F16-Y45 HydrophobicContact CE1-CD2 3.82Å; F16-Y45 HydrophobicContact CE1-CE1 4.16Å; F16-Y45 HydrophobicContact CE1-CE2 4.21Å; F16-Y45 AromaticContact CE1-CG 3.58Å; F16-Y45 HydrophobicContact CE1-CG 3.58Å; N18-Y45 PolarHBondContact ND2-OH 3.23Å; Q32-Y45 CarbonylContact C-O 3.56Å; Q32-Y45 WeakPolarHBondContact CA-O 3.36Å; Q32-Y45 WeakPolarHBondContact CB-O 3.29Å; I33-Y45 PolarHBondContact N-O 3.13Å; I33-Y45 PolarHBondContact O-N 3Å; I35-Y45 HydrophobicContact CD1-CD2 4.16Å; I35-Y45 HydrophobicContact CD1-CE2 4.46Å; F37-Y45 HydrophobicContact CE2-CE2 4.02Å; F37-Y45 HydrophobicContact CZ-CE2 4.08Å; F43-Y45 HydrophobicContact CB-CD2 4.14Å; F43-Y45 HydrophobicContact CB-CE2 3.48Å; F43-Y45 VanDerWaalsContact CB-CE2 3.48Å; F43-Y45 HydrophobicContact CG-CE2 4.42Å; Y45-W52 HydrophobicContact CD1-CB 4.3Å; Y45-W52 WeakPolarHBondContact O-CZ3 3.49Å; Y45-Q53 CarbonylContact C-O 3.57Å; Y45-Q53 VanDerWaalsContact CA-O 3.24Å; Y45-Q53 WeakPolarHBondContact CA-O 3.44Å; Y45-K54 HydrophobicContact CD1-CB 4.13Å; Y45-K54 HydrophobicContact CE1-CB 3.81Å
46	G	96.2	Very high	94.6	Very high	5 Å²	5	46.4 Å²	46.4	5%	0.052	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	148.7	170.7	0	0	0	0	0	111	W52 Q53	G46-W52 VanDerWaalsContact C-CE3 3.41Å; G46-Q53 PolarHBondContact N-O 3.4Å; G46-Q53 PolarHBondContact O-N 2.86Å
47	W	91.1	Very high	94.6	Very high	125 Å²	125	50.6 Å²	50.6	47%	0.473	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	118.6	175.3	-172.6	-97.2	0	0	0	110.6	F14 T31 G50 W52	F14-W47 HydrophobicContact CD1-CZ3 4.17Å; F14-W47 AromaticContact CE1-CH2 3.93Å; F14-W47 HydrophobicContact CE1-CH2 3.93Å; F14-W47 AromaticContact CE1-CZ3 3.63Å; F14-W47 HydrophobicContact CE1-CZ3 3.63Å; F14-W47 HydrophobicContact CZ-CZ3 4.2Å; T31-W47 PolarHBondContact O-N 2.94Å; W47-G50 WeakPolarHBondContact CH2-O 3.46Å; W47-G50 VanDerWaalsContact CZ2-C 3.46Å; W47-G50 WeakPolarHBondContact CZ2-O 3.18Å; W47-W52 HydrophobicContact CB-CE3 4.34Å; W47-W52 HydrophobicContact CB-CH2 4.15Å; W47-W52 HydrophobicContact CB-CZ2 4.46Å; W47-W52 HydrophobicContact CB-CZ3 4.11Å; W47-W52 AromaticContact CE3-CD1 3.61Å; W47-W52 AromaticContact CE3-CD2 3.8Å; W47-W52 HydrophobicContact CE3-CD2 3.8Å; W47-W52 AromaticContact CE3-CE2 3.55Å; W47-W52 AromaticContact CE3-CG 3.82Å; W47-W52 HydrophobicContact CE3-CG 3.82Å; W47-W52 HydrophobicContact CE3-CZ2 4.11Å; W47-W52 AromaticContact CE3-NE1 3.43Å; W47-W52 AromaticContact CZ3-CD1 3.51Å; W47-W52 HydrophobicContact CZ3-CD2 4.47Å; W47-W52 HydrophobicContact CZ3-CG 4.12Å; W47-W52 AromaticContact CZ3-NE1 3.49Å
48	S	88.6	Confident	94.7	Very high	46 Å²	46	50.1 Å²	50.1	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	140.3	177.9	-176.7	0	0	0	0	110.4	G50 C51	S48-G50 PolarHBondContact O-N 2.88Å; S48-G50 VanDerWaalsContact O-N 3.14Å; S48-C51 PolarHBondContact N-O 3.43Å; S48-C51 PolarHBondContact O-N 3.36Å; S48-C51 VanDerWaalsContact O-N 3.09Å
49	N	87.4	Confident	94.9	Very high	148 Å²	148	53.3 Å²	53.3	79%	0.791	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	34.3	178	-58.1	-32.2	0	0	0	114.6	C51	N49-C51 VanDerWaalsContact C-N 3.31Å; N49-C51 PolarHBondContact O-N 3.37Å
50	G	85.1	Confident	94.9	Very high	57 Å²	57	56.4 Å²	56.4	59%	0.588	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	10.4	178.1	0	0	0	0	0	115	W47 S48	W47-G50 WeakPolarHBondContact CH2-O 3.46Å; W47-G50 VanDerWaalsContact CZ2-C 3.46Å; W47-G50 WeakPolarHBondContact CZ2-O 3.18Å; S48-G50 PolarHBondContact O-N 2.88Å; S48-G50 VanDerWaalsContact O-N 3.14Å
51	C	89	Confident	95	Very high	59 Å²	59	55.3 Å²	55.3	40%	0.399	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	162	173.7	65.7	0	0	0	0	112.5	S48 N49	S48-C51 PolarHBondContact N-O 3.43Å; S48-C51 PolarHBondContact O-N 3.36Å; S48-C51 VanDerWaalsContact O-N 3.09Å; N49-C51 VanDerWaalsContact C-N 3.31Å; N49-C51 PolarHBondContact O-N 3.37Å
52	W	92.6	Very high	95	Very high	41 Å²	41	59.1 Å²	59.1	16%	0.155	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.9	169.7	-74.5	106	0	0	0	110.1	F14 F16 W26 I33 Y45 G46 W47	F14-W52 AromaticContact CD1-CD1 3.68Å; F14-W52 AromaticContact CD1-NE1 3.59Å; F14-W52 AromaticContact CD2-NE1 3.45Å; F14-W52 AromaticContact CE1-NE1 3.71Å; F14-W52 AromaticContact CE2-NE1 3.56Å; F14-W52 AromaticContact CG-CD1 3.66Å; F14-W52 AromaticContact CG-NE1 3.45Å; F14-W52 AromaticContact CZ-NE1 3.69Å; F16-W52 HydrophobicContact CD1-CB 4.47Å; F16-W52 HydrophobicContact CE1-CB 3.66Å; F16-W52 HydrophobicContact CE1-CD2 4.35Å; F16-W52 AromaticContact CE1-CG 3.8Å; F16-W52 HydrophobicContact CE1-CG 3.8Å; F16-W52 HydrophobicContact CZ-CB 4.27Å; F16-W52 AromaticContact CZ-CD1 3.98Å; F16-W52 HydrophobicContact CZ-CD2 4.27Å; F16-W52 AromaticContact CZ-CG 3.92Å; F16-W52 HydrophobicContact CZ-CG 3.92Å; W26-W52 AromaticContact CH2-CH2 3.97Å; W26-W52 HydrophobicContact CH2-CH2 3.97Å; W26-W52 AromaticContact CH2-CZ2 3.7Å; W26-W52 HydrophobicContact CH2-CZ2 3.7Å; W26-W52 AromaticContact CZ3-CH2 3.55Å; W26-W52 HydrophobicContact CZ3-CH2 3.55Å; W26-W52 AromaticContact CZ3-CZ2 3.76Å; W26-W52 HydrophobicContact CZ3-CZ2 3.76Å; I33-W52 HydrophobicContact CG2-CE3 4.08Å; I33-W52 HydrophobicContact CG2-CH2 4.19Å; I33-W52 HydrophobicContact CG2-CZ3 3.87Å; Y45-W52 HydrophobicContact CD1-CB 4.3Å; Y45-W52 WeakPolarHBondContact O-CZ3 3.49Å; G46-W52 VanDerWaalsContact C-CE3 3.41Å; W47-W52 HydrophobicContact CB-CE3 4.34Å; W47-W52 HydrophobicContact CB-CH2 4.15Å; W47-W52 HydrophobicContact CB-CZ2 4.46Å; W47-W52 HydrophobicContact CB-CZ3 4.11Å; W47-W52 AromaticContact CE3-CD1 3.61Å; W47-W52 AromaticContact CE3-CD2 3.8Å; W47-W52 HydrophobicContact CE3-CD2 3.8Å; W47-W52 AromaticContact CE3-CE2 3.55Å; W47-W52 AromaticContact CE3-CG 3.82Å; W47-W52 HydrophobicContact CE3-CG 3.82Å; W47-W52 HydrophobicContact CE3-CZ2 4.11Å; W47-W52 AromaticContact CE3-NE1 3.43Å; W47-W52 AromaticContact CZ3-CD1 3.51Å; W47-W52 HydrophobicContact CZ3-CD2 4.47Å; W47-W52 HydrophobicContact CZ3-CG 4.12Å; W47-W52 AromaticContact CZ3-NE1 3.49Å
53	Q	94.4	Very high	95	Very high	77 Å²	77	63.2 Å²	63.2	36%	0.36	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.1	178.6	-61.8	-174.8	-3.6	0	0	110.2	Y45 G46 L55	Y45-Q53 CarbonylContact C-O 3.57Å; Y45-Q53 VanDerWaalsContact CA-O 3.24Å; Y45-Q53 WeakPolarHBondContact CA-O 3.44Å; G46-Q53 PolarHBondContact N-O 3.4Å; G46-Q53 PolarHBondContact O-N 2.86Å; Q53-L55 PolarHBondContact O-N 3.47Å
54	K	95.7	Very high	95	Very high	112 Å²	112	67.5 Å²	67.5	49%	0.487	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	117.7	174.5	-177.4	177.4	70	167.5	0	108.9	F43 Y45 E57	F43-K54 HydrophobicContact CD1-CD 3.66Å; F43-K54 HydrophobicContact CE1-CD 4.23Å; Y45-K54 HydrophobicContact CD1-CB 4.13Å; Y45-K54 HydrophobicContact CE1-CB 3.81Å; K54-E57 IonicContact NZ-OE2 3.45Å; K54-E57 PolarHBondContact NZ-OE2 3.02Å
55	L	96.9	Very high	95	Very high	78 Å²	78	67.5 Å²	67.5	41%	0.408	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-45.1	176.2	-60.7	-177.9	0	0	0	111.5	Q32 I44 Q53	Q32-L55 HydrophobicContact CG-CD1 4.19Å; I44-L55 PolarHBondContact O-N 2.86Å; Q53-L55 PolarHBondContact O-N 3.47Å
56	H	97.9	Very high	95.1	Very high	40 Å²	40	68.1 Å²	68.1	19%	0.185	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	161.3	-175.1	-53.4	-69	0	0	0	112.2	I44 Y91 W96	I44-H56 HydrophobicContact CB-CB 4.12Å; I44-H56 HydrophobicContact CD1-CB 4.24Å; I44-H56 HydrophobicContact CG1-CB 4.48Å; I44-H56 PolarHBondContact N-O 2.93Å; I44-H56 PolarHBondContact O-N 3.04Å; H56-Y91 AromaticContact CE1-CE2 3.64Å; H56-Y91 AromaticContact NE2-CE2 3.56Å; H56-Y91 AromaticContact NE2-CZ 3.94Å; H56-W96 AromaticContact CD2-CD1 3.6Å; H56-W96 AromaticContact CD2-NE1 3.33Å; H56-W96 PolarHBondContact CD2-NE1 3.27Å; H56-W96 VanDerWaalsContact CD2-NE1 3.33Å; H56-W96 AromaticContact CG-CD1 3.58Å; H56-W96 AromaticContact CG-NE1 3.82Å; H56-W96 AromaticContact NE2-NE1 3.85Å
57	E	97.5	Very high	95.2	Very high	88 Å²	88	68.1 Å²	68.1	41%	0.411	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	126.4	177.4	-168.4	172.5	152.8	0	0	107.8	F43 K54 T59	F43-E57 HydrophobicContact CD1-CB 4.36Å; F43-E57 HydrophobicContact CD1-CG 3.83Å; F43-E57 HydrophobicContact CE1-CB 4.5Å; F43-E57 VanDerWaalsContact CE1-CD 3.42Å; F43-E57 HydrophobicContact CE1-CG 3.58Å; F43-E57 HydrophobicContact CZ-CG 4.33Å; K54-E57 IonicContact NZ-OE2 3.45Å; K54-E57 PolarHBondContact NZ-OE2 3.02Å; E57-T59 HydrophobicContact CG-CG2 3.71Å
58	L	98.6	Very high	95.5	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.021	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	113.5	-176.8	-52.6	176	0	0	0	107.9	E41 V42 I44 I77 W89 W96	E41-L58 WeakPolarHBondContact CA-O 3.32Å; V42-L58 HydrophobicContact CB-CB 4.08Å; V42-L58 HydrophobicContact CB-CD1 3.97Å; V42-L58 HydrophobicContact CB-CG 4.37Å; V42-L58 HydrophobicContact CG1-CD1 3.99Å; V42-L58 PolarHBondContact N-O 3.42Å; V42-L58 WeakPolarHBondContact O-CB 3.33Å; V42-L58 PolarHBondContact O-N 2.8Å; I44-L58 HydrophobicContact CD1-CD1 4.12Å; I44-L58 HydrophobicContact CD1-CD2 4.48Å; I44-L58 HydrophobicContact CD1-CG 4.42Å; I44-L58 HydrophobicContact CG1-CD1 4.44Å; L58-I77 HydrophobicContact CD1-CD1 4.45Å; L58-W89 HydrophobicContact CB-CD2 4.37Å; L58-W89 HydrophobicContact CB-CE3 4.29Å; L58-W89 HydrophobicContact CB-CH2 3.63Å; L58-W89 HydrophobicContact CB-CZ2 3.79Å; L58-W89 HydrophobicContact CB-CZ3 3.91Å; L58-W89 HydrophobicContact CD1-CD2 4.04Å; L58-W89 HydrophobicContact CD1-CE3 4.47Å; L58-W89 HydrophobicContact CD1-CG 4.17Å; L58-W89 HydrophobicContact CD2-CD2 3.99Å; L58-W89 HydrophobicContact CD2-CE3 3.59Å; L58-W89 HydrophobicContact CD2-CH2 4.39Å; L58-W89 HydrophobicContact CD2-CZ3 3.79Å; L58-W89 HydrophobicContact CG-CD2 4.37Å; L58-W89 HydrophobicContact CG-CE3 4.33Å; L58-W89 HydrophobicContact CG-CZ3 4.39Å; L58-W96 HydrophobicContact CD2-CB 3.28Å; L58-W96 HydrophobicContact CD2-CG 3.72Å
59	T	97.8	Very high	96	Very high	85 Å²	85	61.6 Å²	61.6	52%	0.521	33%	0.325	S	S	.	.			trans	-125.8	32	-162.6	62.2	0	0	0	0	114.6	E41 E57	E41-T59 HydrophobicContact CG-CG2 4.01Å; E57-T59 HydrophobicContact CG-CG2 3.71Å
60	E	98.3	Very high	96.6	Very high	95 Å²	95	55 Å²	55	44%	0.444	29%	0.289	S	S	.	.			trans	-95.9	-15.6	-174.2	-70.4	-76.2	156.8	0	0	114.6	F87 W89 P98	E60-F87 HydrophobicContact CB-CD2 4.16Å; E60-F87 HydrophobicContact CB-CE1 4.5Å; E60-F87 HydrophobicContact CB-CE2 3.86Å; E60-F87 HydrophobicContact CB-CZ 4.04Å; E60-W89 HydrophobicContact CB-CH2 3.53Å; E60-W89 HydrophobicContact CB-CZ2 3.94Å; E60-W89 HydrophobicContact CG-CH2 3.34Å; E60-W89 HydrophobicContact CG-CZ2 4.21Å; E60-W89 HydrophobicContact CG-CZ3 3.89Å; E60-P98 HydrophobicContact CG-CB 3.85Å; E60-P98 HydrophobicContact CG-CG 3.66Å
61	H	98.3	Very high	97.2	Very high	9 Å²	9	52.3 Å²	52.3	4%	0.042	26%	0.261	C	S	.	.			trans	-81.4	136.8	177.2	-79.1	-65.8	0	0	0	110.6	S40 V65 T79 A81 D83 F87	S40-H61 WeakPolarHBondContact CB-O 3.42Å; S40-H61 WeakPolarHBondContact O-CB 3.46Å; H61-V65 HydrophobicContact CB-CG2 4.18Å; H61-T79 PolarHBondContact CD2-OG1 2.86Å; H61-T79 WeakPolarHBondContact NE2-CB 3.48Å; H61-T79 PolarHBondContact NE2-OG1 2.87Å; H61-A81 HydrophobicContact CB-CB 4.02Å; H61-A81 VanDerWaalsContact ND1-CB 3.27Å; H61-A81 WeakPolarHBondContact ND1-CB 3.48Å; H61-D83 WeakPolarHBondContact CA-OD2 3.35Å; H61-D83 IonicContact CE1-OD1 3.75Å; H61-D83 IonicContact CE1-OD2 3.78Å; H61-D83 IonicContact CG-OD2 3.41Å; H61-D83 IonicContact ND1-OD1 2.92Å; H61-D83 PolarHBondContact ND1-OD1 3.23Å; H61-D83 IonicContact ND1-OD2 2.94Å; H61-D83 PolarHBondContact ND1-OD2 3.01Å; H61-F87 AromaticContact CD2-CD2 3.96Å; H61-F87 AromaticContact CE1-CD2 3.42Å; H61-F87 VanDerWaalsContact CE1-CD2 3.42Å; H61-F87 WeakPolarHBondContact CE1-CD2 3.33Å; H61-F87 AromaticContact CE1-CE2 3.75Å; H61-F87 AromaticContact ND1-CD2 3.75Å; H61-F87 AromaticContact ND1-CE2 3.64Å; H61-F87 AromaticContact NE2-CD2 3.56Å
62	D	97.9	Very high	97.5	Very high	132 Å²	132	52 Å²	52	71%	0.706	26%	0.258	S	S	*	.	S	Bend	trans	-82.6	-18.2	179.5	-66.8	-47.1	0	0	0	112.9	D83	D62-D83 HydrophobicContact CB-CB 4.19Å; D62-D83 PolarHBondContact N-OD2 2.8Å
63	L	98.3	Very high	97.7	Very high	88 Å²	88	56.2 Å²	56.2	46%	0.461	28%	0.28	S	S	.	.	S	Bend	trans	-137.6	172	-177.7	-62.8	178.6	0	0	0	110.5	S40 V65 Q82 D83	S40-L63 WeakPolarHBondContact CA-O 3.36Å; L63-V65 PolarHBondContact O-N 3.21Å; L63-Q82 HydrophobicContact CB-CB 3.87Å; L63-Q82 HydrophobicContact CD1-CB 4.18Å; L63-D83 HydrophobicContact CB-CB 4.07Å; L63-D83 HydrophobicContact CD1-CB 4.36Å; L63-D83 HydrophobicContact CG-CB 4.2Å
64	R	97.9	Very high	97.8	Very high	111 Å²	111	55.5 Å²	55.5	42%	0.419	28%	0.281	S	S	.	.			trans	-45.6	126.1	-176.6	174.3	-175.3	-84.6	-172	-1.4	113	A38 S39 A81 Q82	A38-R64 PolarHBondContact O-NE 2.91Å; A38-R64 PolarHBondContact O-NH2 3.2Å; S39-R64 CarbonylContact O-C 3.52Å; S39-R64 VanDerWaalsContact O-CA 3.29Å; S39-R64 WeakPolarHBondContact O-CA 3.49Å; R64-A81 WeakPolarHBondContact O-CA 3.39Å; R64-A81 VanDerWaalsContact O-CB 3.25Å; R64-A81 WeakPolarHBondContact O-CB 3.3Å; R64-Q82 HydrophobicContact CB-CG 4.32Å; R64-Q82 PolarHBondContact O-N 2.92Å
65	V	98.6	Very high	97.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	127.2	168.4	176.2	0	0	0	0	109.3	S39 S40 V42 H61 L63 I68 A81	S39-V65 PolarHBondContact O-N 2.88Å; S40-V65 VanDerWaalsContact O-CG2 3.29Å; S40-V65 WeakPolarHBondContact O-CG2 3.16Å; V42-V65 HydrophobicContact CG2-CB 4.17Å; V42-V65 HydrophobicContact CG2-CG1 3.81Å; V42-V65 HydrophobicContact CG2-CG2 3.77Å; H61-V65 HydrophobicContact CB-CG2 4.18Å; L63-V65 PolarHBondContact O-N 3.21Å; V65-I68 HydrophobicContact CG1-CD1 4.42Å; V65-I68 HydrophobicContact CG1-CG1 3.89Å; V65-A81 HydrophobicContact CG2-CB 4.42Å
66	T	98.4	Very high	97.9	Very high	30 Å²	30	52 Å²	52	18%	0.184	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-15.5	-175.6	51.5	0	0	0	0	113.2	C80 Q82 A109	T66-C80 PolarHBondContact N-O 3.31Å; T66-C80 PolarHBondContact OG1-O 3.18Å; T66-Q82 HydrophobicContact CG2-CG 3.69Å; T66-A109 PolarHBondContact OG1-O 3.14Å
67	G	98.4	Very high	98	Very high	6 Å²	6	50.1 Å²	50.1	6%	0.062	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	142.9	177.4	0	0	0	0	0	111.5	T79 C80 V112	G67-T79 WeakPolarHBondContact O-CA 3.24Å; G67-C80 PolarHBondContact N-O 2.76Å; G67-C80 PolarHBondContact O-N 3.13Å; G67-V112 VanDerWaalsContact C-CG1 3.49Å; G67-V112 WeakPolarHBondContact O-CG1 3.49Å
68	I	98.8	Very high	98	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.8	175.8	-56	168.3	0	0	0	106.5	A25 A34 V42 V65 I77 V78 T79	A25-I68 HydrophobicContact CB-CB 4.35Å; A25-I68 HydrophobicContact CB-CG2 3.73Å; A34-I68 HydrophobicContact CB-CG2 4.03Å; V42-I68 HydrophobicContact CB-CD1 4.39Å; V42-I68 HydrophobicContact CG1-CD1 3.66Å; V42-I68 HydrophobicContact CG1-CG1 4.45Å; V42-I68 HydrophobicContact CG2-CD1 3.83Å; V42-I68 HydrophobicContact CG2-CG1 4.15Å; V65-I68 HydrophobicContact CG1-CD1 4.42Å; V65-I68 HydrophobicContact CG1-CG1 3.89Å; I68-I77 HydrophobicContact CG2-CG2 3.81Å; I68-V78 WeakPolarHBondContact CA-O 3.47Å; I68-T79 HydrophobicContact CG1-CG2 4.3Å
69	D	98.7	Very high	98.1	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.8	165.7	-158.6	22.4	0	0	0	110.4	I77 V78 K113 W114	D69-I77 CarbonylContact O-C 3.54Å; D69-I77 WeakPolarHBondContact O-CA 3.27Å; D69-V78 HydrophobicContact CB-CG1 3.77Å; D69-V78 PolarHBondContact N-O 2.74Å; D69-V78 PolarHBondContact O-N 3.4Å; D69-K113 HydrophobicContact CB-CD 4.37Å; D69-K113 IonicContact OD1-NZ 3.57Å; D69-K113 VanDerWaalsContact OD2-CA 3.32Å; D69-K113 WeakPolarHBondContact OD2-CA 3.26Å; D69-K113 WeakPolarHBondContact OD2-CD 3.44Å; D69-W114 PolarHBondContact O-NE1 2.9Å; D69-W114 PolarHBondContact OD2-N 2.97Å
70	W	98.6	Very high	98.1	Very high	9 Å²	9	41.7 Å²	41.7	3%	0.034	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	111.5	-174.8	-158.7	-32.3	0	0	0	109.4	A25 N27 Q32 A34 I44 P72 N75 I77 W96	A25-W70 HydrophobicContact CB-CB 3.96Å; N27-W70 HydrophobicContact CB-CD2 3.74Å; N27-W70 VanDerWaalsContact CB-CE2 3.48Å; N27-W70 HydrophobicContact CB-CE3 3.95Å; N27-W70 HydrophobicContact CB-CG 4.42Å; N27-W70 HydrophobicContact CB-CH2 3.76Å; N27-W70 HydrophobicContact CB-CZ2 3.5Å; N27-W70 HydrophobicContact CB-CZ3 3.97Å; Q32-W70 HydrophobicContact CB-CH2 3.81Å; Q32-W70 HydrophobicContact CB-CZ3 4.18Å; A34-W70 HydrophobicContact CB-CE3 3.9Å; A34-W70 HydrophobicContact CB-CZ3 3.87Å; I44-W70 HydrophobicContact CD1-CH2 4.4Å; I44-W70 HydrophobicContact CG2-CH2 3.93Å; I44-W70 HydrophobicContact CG2-CZ3 4.27Å; W70-P72 WeakPolarHBondContact O-CD 3.39Å; W70-N75 PolarHBondContact NE1-OD1 2.94Å; W70-I77 HydrophobicContact CB-CG1 4.39Å; W70-I77 HydrophobicContact CD2-CD1 3.85Å; W70-I77 HydrophobicContact CD2-CG1 3.52Å; W70-I77 HydrophobicContact CE3-CD1 3.9Å; W70-I77 HydrophobicContact CE3-CG1 4.01Å; W70-I77 HydrophobicContact CG-CG1 3.71Å; W70-I77 HydrophobicContact CH2-CD1 3.92Å; W70-I77 HydrophobicContact CZ2-CD1 3.87Å; W70-I77 HydrophobicContact CZ2-CG1 4.18Å; W70-I77 HydrophobicContact CZ3-CD1 3.94Å; W70-W96 AromaticContact CE2-CH2 3.99Å; W70-W96 HydrophobicContact CH2-CZ2 4.14Å; W70-W96 AromaticContact CZ2-CH2 3.65Å; W70-W96 HydrophobicContact CZ2-CH2 3.65Å; W70-W96 AromaticContact CZ2-CZ2 3.61Å; W70-W96 HydrophobicContact CZ2-CZ2 3.61Å
71	G	97.9	Very high	98.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	111.8	176	0	0	0	0	0	110.6	Q73 N75 R76 E118	G71-Q73 PolarHBondContact O-N 3.02Å; G71-N75 VanDerWaalsContact O-CA 3.31Å; G71-N75 WeakPolarHBondContact O-CA 3.32Å; G71-N75 PolarHBondContact O-N 2.92Å; G71-R76 PolarHBondContact N-O 3.36Å; G71-E118 VanDerWaalsContact CA-CD 3.45Å; G71-E118 WeakPolarHBondContact CA-OE2 3.11Å
72	P	95.9	Very high	98.1	Very high	52 Å²	52	40.8 Å²	40.8	34%	0.338	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-35.7	-174	24.8	-35.1	0	0	0	113.4	K28 W70 E118	K28-P72 HydrophobicContact CB-CB 3.84Å; K28-P72 VanDerWaalsContact CB-O 3.28Å; K28-P72 WeakPolarHBondContact CB-O 3.49Å; K28-P72 HydrophobicContact CD-CB 4.32Å; K28-P72 WeakPolarHBondContact CD-O 3.4Å; K28-P72 HydrophobicContact CG-CB 4.09Å; W70-P72 WeakPolarHBondContact O-CD 3.39Å; P72-E118 WeakPolarHBondContact CD-OE1 3.46Å; P72-E118 WeakPolarHBondContact CG-OE1 3.22Å; P72-E118 VanDerWaalsContact N-OE1 3.1Å
73	Q	96.2	Very high	98.1	Very high	130 Å²	130	35.4 Å²	35.4	61%	0.607	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-42.9	-175.8	-53.6	-54.3	-28.6	0	0	112.3	G71 E118	G71-Q73 PolarHBondContact O-N 3.02Å; Q73-E118 WeakPolarHBondContact CA-OE1 3.37Å; Q73-E118 VanDerWaalsContact CB-OE1 3.31Å; Q73-E118 WeakPolarHBondContact CB-OE1 3.5Å; Q73-E118 WeakPolarHBondContact CG-OE1 3.27Å; Q73-E118 PolarHBondContact N-OE1 3.28Å
74	T	96.9	Very high	98.1	Very high	63 Å²	63	35.5 Å²	35.5	39%	0.387	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-10.7	-178	64.2	0	0	0	0	113.2	R76 E118	T74-R76 PolarHBondContact O-N 3.33Å; T74-R76 PolarHBondContact OG1-NE 2.67Å; T74-E118 WeakPolarHBondContact CA-OE2 3.46Å; T74-E118 WeakPolarHBondContact CB-OE2 3.35Å; T74-E118 HydrophobicContact CG2-CB 4.11Å; T74-E118 VanDerWaalsContact CG2-OE2 3.27Å; T74-E118 WeakPolarHBondContact CG2-OE2 3.44Å; T74-E118 PolarHBondContact N-OE2 2.86Å; T74-E118 PolarHBondContact OG1-OE2 2.87Å
75	N	97.6	Very high	98.1	Very high	66 Å²	66	32.9 Å²	32.9	35%	0.353	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	38	-173.5	-167.2	39.6	0	0	0	112.5	W70 G71 W96	W70-N75 PolarHBondContact NE1-OD1 2.94Å; G71-N75 VanDerWaalsContact O-CA 3.31Å; G71-N75 WeakPolarHBondContact O-CA 3.32Å; G71-N75 PolarHBondContact O-N 2.92Å; N75-W96 WeakPolarHBondContact O-CH2 3.5Å; N75-W96 WeakPolarHBondContact O-CZ3 3.45Å
76	R	98.3	Very high	98.1	Very high	51 Å²	51	32.9 Å²	32.9	19%	0.192	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.6	175.4	-67.2	-177.1	-63	172.4	4.7	109.8	G71 T74 V88 W89 T90 W114 E118	G71-R76 PolarHBondContact N-O 3.36Å; T74-R76 PolarHBondContact O-N 3.33Å; T74-R76 PolarHBondContact OG1-NE 2.67Å; R76-V88 HydrophobicContact CB-CG1 4.16Å; R76-V88 HydrophobicContact CG-CG1 4.43Å; R76-W89 WeakPolarHBondContact CA-O 3.38Å; R76-T90 HydrophobicContact CG-CG2 3.94Å; R76-W114 HydrophobicContact CB-CZ2 4.01Å; R76-W114 PolarHBondContact O-NE1 3.26Å; R76-E118 PolarHBondContact NH2-O 2.62Å
77	I	98.8	Very high	98.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.2	172.3	-60.7	167.2	0	0	0	107.2	A34 I44 L58 I68 D69 W70 T79 V88 W89 W96	A34-I77 HydrophobicContact CB-CD1 4.36Å; I44-I77 HydrophobicContact CD1-CD1 3.56Å; I44-I77 HydrophobicContact CG1-CD1 4.31Å; L58-I77 HydrophobicContact CD1-CD1 4.45Å; I68-I77 HydrophobicContact CG2-CG2 3.81Å; D69-I77 CarbonylContact O-C 3.54Å; D69-I77 WeakPolarHBondContact O-CA 3.27Å; W70-I77 HydrophobicContact CB-CG1 4.39Å; W70-I77 HydrophobicContact CD2-CD1 3.85Å; W70-I77 HydrophobicContact CD2-CG1 3.52Å; W70-I77 HydrophobicContact CE3-CD1 3.9Å; W70-I77 HydrophobicContact CE3-CG1 4.01Å; W70-I77 HydrophobicContact CG-CG1 3.71Å; W70-I77 HydrophobicContact CH2-CD1 3.92Å; W70-I77 HydrophobicContact CZ2-CD1 3.87Å; W70-I77 HydrophobicContact CZ2-CG1 4.18Å; W70-I77 HydrophobicContact CZ3-CD1 3.94Å; I77-T79 HydrophobicContact CG2-CG2 3.99Å; I77-V88 CarbonylContact O-C 3.6Å; I77-V88 WeakPolarHBondContact O-CA 3.43Å; I77-W89 HydrophobicContact CB-CB 4.18Å; I77-W89 PolarHBondContact N-O 2.98Å; I77-W89 VanDerWaalsContact N-O 3.13Å; I77-W89 PolarHBondContact O-N 3.11Å; I77-W96 HydrophobicContact CB-CZ3 4.34Å; I77-W96 HydrophobicContact CD1-CD2 4.41Å; I77-W96 HydrophobicContact CD1-CE3 4.18Å; I77-W96 HydrophobicContact CD1-CH2 3.56Å; I77-W96 HydrophobicContact CD1-CZ2 3.83Å; I77-W96 HydrophobicContact CD1-CZ3 3.76Å; I77-W96 HydrophobicContact CG1-CH2 3.8Å; I77-W96 HydrophobicContact CG1-CZ3 3.81Å
78	V	98.8	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.3	164.6	65.9	0	0	0	0	109	I68 D69 F87 V88 V112 W114 I121	I68-V78 WeakPolarHBondContact CA-O 3.47Å; D69-V78 HydrophobicContact CB-CG1 3.77Å; D69-V78 PolarHBondContact N-O 2.74Å; D69-V78 PolarHBondContact O-N 3.4Å; V78-F87 VanDerWaalsContact CA-O 3.32Å; V78-F87 WeakPolarHBondContact CA-O 3.4Å; V78-V88 HydrophobicContact CB-CG2 4.47Å; V78-V88 HydrophobicContact CG2-CG2 4.22Å; V78-V112 HydrophobicContact CB-CG2 4.31Å; V78-V112 HydrophobicContact CG1-CG1 4.17Å; V78-V112 HydrophobicContact CG1-CG2 3.6Å; V78-V112 HydrophobicContact CG2-CG2 3.71Å; V78-W114 HydrophobicContact CB-CZ2 4.02Å; V78-W114 HydrophobicContact CG1-CD2 4.36Å; V78-W114 HydrophobicContact CG1-CG 4.17Å; V78-W114 VanDerWaalsContact CG1-NE1 3.31Å; V78-I121 HydrophobicContact CB-CD1 4.49Å; V78-I121 HydrophobicContact CG1-CG2 4.45Å; V78-I121 HydrophobicContact CG2-CD1 3.95Å; V78-I121 HydrophobicContact CG2-CG2 3.91Å
79	T	98.9	Very high	98.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.4	173.7	61	0	0	0	0	109.8	V42 H61 G67 I68 I77 A86 F87 W89	V42-T79 HydrophobicContact CG2-CG2 3.95Å; H61-T79 PolarHBondContact CD2-OG1 2.86Å; H61-T79 WeakPolarHBondContact NE2-CB 3.48Å; H61-T79 PolarHBondContact NE2-OG1 2.87Å; G67-T79 WeakPolarHBondContact O-CA 3.24Å; I68-T79 HydrophobicContact CG1-CG2 4.3Å; I77-T79 HydrophobicContact CG2-CG2 3.99Å; T79-A86 CarbonylContact O-C 3.46Å; T79-A86 WeakPolarHBondContact O-CA 3.37Å; T79-A86 VanDerWaalsContact O-CB 3.27Å; T79-A86 WeakPolarHBondContact O-CB 3.43Å; T79-F87 PolarHBondContact N-O 2.94Å; T79-F87 PolarHBondContact O-N 3.48Å; T79-W89 PolarHBondContact OG1-NE1 2.83Å
80	C	98.7	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150.7	169.5	73.5	0	0	0	0	109.9	T66 G67 N85 A86 A109 C111 V112 I123	T66-C80 PolarHBondContact N-O 3.31Å; T66-C80 PolarHBondContact OG1-O 3.18Å; G67-C80 PolarHBondContact N-O 2.76Å; G67-C80 PolarHBondContact O-N 3.13Å; C80-N85 WeakPolarHBondContact CA-O 3.46Å; C80-A86 HydrophobicContact CB-CB 4.15Å; C80-A109 HydrophobicContact CB-CB 3.65Å; C80-C111 VanDerWaalsContact SG-C 3.58Å; C80-V112 HydrophobicContact CB-CB 4.05Å; C80-V112 HydrophobicContact CB-CG1 4.16Å; C80-I123 HydrophobicContact CB-CG2 4.31Å
81	A	98.6	Very high	98	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	176.2	-172.2	0	0	0	0	0	114.1	H61 R64 V65 D83 K84 N85 A109	H61-A81 HydrophobicContact CB-CB 4.02Å; H61-A81 VanDerWaalsContact ND1-CB 3.27Å; H61-A81 WeakPolarHBondContact ND1-CB 3.48Å; R64-A81 WeakPolarHBondContact O-CA 3.39Å; R64-A81 VanDerWaalsContact O-CB 3.25Å; R64-A81 WeakPolarHBondContact O-CB 3.3Å; V65-A81 HydrophobicContact CG2-CB 4.42Å; A81-D83 WeakPolarHBondContact CB-OD1 3.01Å; A81-D83 PolarHBondContact O-N 3.02Å; A81-K84 PolarHBondContact O-N 3.08Å; A81-N85 PolarHBondContact N-O 2.83Å; A81-A109 VanDerWaalsContact O-CB 3.32Å; A81-A109 WeakPolarHBondContact O-CB 3.49Å; A81-A109 PolarHBondContact O-N 3.44Å
82	Q	98.5	Very high	97.9	Very high	84 Å²	84	41.1 Å²	41.1	39%	0.393	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-18	178.1	-66	-176	-8.3	0	0	113.6	L63 R64 T66 K84 A108	L63-Q82 HydrophobicContact CB-CB 3.87Å; L63-Q82 HydrophobicContact CD1-CB 4.18Å; R64-Q82 HydrophobicContact CB-CG 4.32Å; R64-Q82 PolarHBondContact O-N 2.92Å; T66-Q82 HydrophobicContact CG2-CG 3.69Å; Q82-K84 PolarHBondContact O-N 3.49Å; Q82-K84 VanDerWaalsContact O-N 3.13Å; Q82-A108 HydrophobicContact CB-CB 4.11Å; Q82-A108 HydrophobicContact CG-CB 4.2Å
83	D	98	Very high	97.8	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.102	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-2.1	173.5	67.5	-0.5	0	0	0	113.4	H61 D62 L63 A81 N85	H61-D83 WeakPolarHBondContact CA-OD2 3.35Å; H61-D83 IonicContact CE1-OD1 3.75Å; H61-D83 IonicContact CE1-OD2 3.78Å; H61-D83 IonicContact CG-OD2 3.41Å; H61-D83 IonicContact ND1-OD1 2.92Å; H61-D83 PolarHBondContact ND1-OD1 3.23Å; H61-D83 IonicContact ND1-OD2 2.94Å; H61-D83 PolarHBondContact ND1-OD2 3.01Å; D62-D83 HydrophobicContact CB-CB 4.19Å; D62-D83 PolarHBondContact N-OD2 2.8Å; L63-D83 HydrophobicContact CB-CB 4.07Å; L63-D83 HydrophobicContact CD1-CB 4.36Å; L63-D83 HydrophobicContact CG-CB 4.2Å; A81-D83 WeakPolarHBondContact CB-OD1 3.01Å; A81-D83 PolarHBondContact O-N 3.02Å; D83-N85 PolarHBondContact O-N 2.84Å; D83-N85 WeakPolarHBondContact OD1-CB 3.4Å; D83-N85 PolarHBondContact OD1-N 3.22Å; D83-N85 PolarHBondContact OD2-ND2 3.16Å
84	K	98.1	Very high	97.7	Very high	91 Å²	91	43.6 Å²	43.6	40%	0.396	22%	0.223	S	C	.	.	S	Bend	trans	75.1	6.3	179.6	-41.3	168.7	-168.9	-178.5	0	113.3	A81 Q82 V103 L105 Q106	A81-K84 PolarHBondContact O-N 3.08Å; Q82-K84 PolarHBondContact O-N 3.49Å; Q82-K84 VanDerWaalsContact O-N 3.13Å; K84-V103 WeakPolarHBondContact O-CG2 3.3Å; K84-L105 HydrophobicContact CB-CB 4.19Å; K84-Q106 VanDerWaalsContact CE-O 3.31Å; K84-Q106 WeakPolarHBondContact CE-O 3.32Å; K84-Q106 PolarHBondContact NZ-O 3.11Å
85	N	98.1	Very high	97.7	Very high	56 Å²	56	42.1 Å²	42.1	30%	0.299	22%	0.215	S	C	.	.			trans	-98.3	163.2	-179.7	-60.8	-40.4	0	0	0	111.2	C80 A81 D83 F87	C80-N85 WeakPolarHBondContact CA-O 3.46Å; A81-N85 PolarHBondContact N-O 2.83Å; D83-N85 PolarHBondContact O-N 2.84Å; D83-N85 WeakPolarHBondContact OD1-CB 3.4Å; D83-N85 PolarHBondContact OD1-N 3.22Å; D83-N85 PolarHBondContact OD2-ND2 3.16Å; N85-F87 HydrophobicContact CB-CE2 4.2Å
86	A	98.5	Very high	97.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144	165.2	0	0	0	0	0	109.3	T79 C80 V101 V103 I123	T79-A86 CarbonylContact O-C 3.46Å; T79-A86 WeakPolarHBondContact O-CA 3.37Å; T79-A86 VanDerWaalsContact O-CB 3.27Å; T79-A86 WeakPolarHBondContact O-CB 3.43Å; C80-A86 HydrophobicContact CB-CB 4.15Å; A86-V101 HydrophobicContact CB-CB 4.16Å; A86-V101 WeakPolarHBondContact O-CB 3.32Å; A86-V101 PolarHBondContact O-N 3.23Å; A86-V103 HydrophobicContact CB-CG1 3.88Å; A86-I123 HydrophobicContact CB-CD1 3.49Å; A86-I123 VanDerWaalsContact CB-CD1 3.49Å
87	F	98.5	Very high	97.7	Very high	21 Å²	21	42.2 Å²	42.2	9%	0.092	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.2	178.6	-65.6	-76.6	0	0	0	109.9	E60 H61 V78 T79 N85 W89 P98 I99 V100	E60-F87 HydrophobicContact CB-CD2 4.16Å; E60-F87 HydrophobicContact CB-CE1 4.5Å; E60-F87 HydrophobicContact CB-CE2 3.86Å; E60-F87 HydrophobicContact CB-CZ 4.04Å; H61-F87 AromaticContact CD2-CD2 3.96Å; H61-F87 AromaticContact CE1-CD2 3.42Å; H61-F87 VanDerWaalsContact CE1-CD2 3.42Å; H61-F87 WeakPolarHBondContact CE1-CD2 3.33Å; H61-F87 AromaticContact CE1-CE2 3.75Å; H61-F87 AromaticContact ND1-CD2 3.75Å; H61-F87 AromaticContact ND1-CE2 3.64Å; H61-F87 AromaticContact NE2-CD2 3.56Å; V78-F87 VanDerWaalsContact CA-O 3.32Å; V78-F87 WeakPolarHBondContact CA-O 3.4Å; T79-F87 PolarHBondContact N-O 2.94Å; T79-F87 PolarHBondContact O-N 3.48Å; N85-F87 HydrophobicContact CB-CE2 4.2Å; F87-W89 HydrophobicContact CB-CZ2 4.21Å; F87-W89 HydrophobicContact CD2-CZ2 4.5Å; F87-P98 HydrophobicContact CB-CB 4.46Å; F87-P98 HydrophobicContact CD1-CB 3.97Å; F87-P98 HydrophobicContact CG-CB 4.37Å; F87-I99 WeakPolarHBondContact CA-O 3.29Å; F87-V100 HydrophobicContact CD1-CB 4.25Å; F87-V100 HydrophobicContact CE1-CB 4.05Å; F87-V100 HydrophobicContact CE1-CG2 4.21Å
88	V	98.4	Very high	97.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	118.9	163.9	172.4	0	0	0	0	107.5	R76 I77 V78 I99 V101 W114 I121 W142	R76-V88 HydrophobicContact CB-CG1 4.16Å; R76-V88 HydrophobicContact CG-CG1 4.43Å; I77-V88 CarbonylContact O-C 3.6Å; I77-V88 WeakPolarHBondContact O-CA 3.43Å; V78-V88 HydrophobicContact CB-CG2 4.47Å; V78-V88 HydrophobicContact CG2-CG2 4.22Å; V88-I99 PolarHBondContact N-O 3.06Å; V88-I99 PolarHBondContact O-N 3.19Å; V88-V101 HydrophobicContact CB-CG2 4.45Å; V88-V101 HydrophobicContact CG2-CG2 3.65Å; V88-W114 HydrophobicContact CG1-CH2 4.2Å; V88-W114 HydrophobicContact CG1-CZ2 4.03Å; V88-W114 HydrophobicContact CG2-CH2 4Å; V88-W114 HydrophobicContact CG2-CZ2 3.97Å; V88-I121 HydrophobicContact CG2-CD1 3.46Å; V88-I121 VanDerWaalsContact CG2-CD1 3.46Å; V88-W142 HydrophobicContact CB-CZ2 4.37Å; V88-W142 HydrophobicContact CG1-CZ2 4.23Å; V88-W142 HydrophobicContact CG2-CD2 4.48Å; V88-W142 HydrophobicContact CG2-CH2 4.42Å; V88-W142 HydrophobicContact CG2-CZ2 3.78Å
89	W	98.6	Very high	97.5	Very high	7 Å²	7	47.2 Å²	47.2	3%	0.027	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.8	179.9	-53.5	84.2	0	0	0	110	L58 E60 R76 I77 T79 F87 W96 K97 P98	L58-W89 HydrophobicContact CB-CD2 4.37Å; L58-W89 HydrophobicContact CB-CE3 4.29Å; L58-W89 HydrophobicContact CB-CH2 3.63Å; L58-W89 HydrophobicContact CB-CZ2 3.79Å; L58-W89 HydrophobicContact CB-CZ3 3.91Å; L58-W89 HydrophobicContact CD1-CD2 4.04Å; L58-W89 HydrophobicContact CD1-CE3 4.47Å; L58-W89 HydrophobicContact CD1-CG 4.17Å; L58-W89 HydrophobicContact CD2-CD2 3.99Å; L58-W89 HydrophobicContact CD2-CE3 3.59Å; L58-W89 HydrophobicContact CD2-CH2 4.39Å; L58-W89 HydrophobicContact CD2-CZ3 3.79Å; L58-W89 HydrophobicContact CG-CD2 4.37Å; L58-W89 HydrophobicContact CG-CE3 4.33Å; L58-W89 HydrophobicContact CG-CZ3 4.39Å; E60-W89 HydrophobicContact CB-CH2 3.53Å; E60-W89 HydrophobicContact CB-CZ2 3.94Å; E60-W89 HydrophobicContact CG-CH2 3.34Å; E60-W89 HydrophobicContact CG-CZ2 4.21Å; E60-W89 HydrophobicContact CG-CZ3 3.89Å; R76-W89 WeakPolarHBondContact CA-O 3.38Å; I77-W89 HydrophobicContact CB-CB 4.18Å; I77-W89 PolarHBondContact N-O 2.98Å; I77-W89 VanDerWaalsContact N-O 3.13Å; I77-W89 PolarHBondContact O-N 3.11Å; T79-W89 PolarHBondContact OG1-NE1 2.83Å; F87-W89 HydrophobicContact CB-CZ2 4.21Å; F87-W89 HydrophobicContact CD2-CZ2 4.5Å; W89-W96 HydrophobicContact CB-CE3 3.66Å; W89-W96 HydrophobicContact CB-CZ3 4.28Å; W89-W96 HydrophobicContact CE3-CB 4.28Å; W89-W96 WeakPolarHBondContact O-CZ3 3.4Å; W89-K97 WeakPolarHBondContact CA-O 3.5Å; W89-P98 HydrophobicContact CD2-CB 4.28Å; W89-P98 HydrophobicContact CE3-CB 3.78Å; W89-P98 HydrophobicContact CE3-CG 4.46Å; W89-P98 HydrophobicContact CH2-CB 4.03Å; W89-P98 HydrophobicContact CZ2-CB 4.44Å; W89-P98 HydrophobicContact CZ3-CB 3.67Å; W89-P98 HydrophobicContact CZ3-CG 4.08Å
90	T	97.6	Very high	97.4	Very high	44 Å²	44	51.3 Å²	51.3	27%	0.27	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	133.7	175.9	52	0	0	0	0	110	R76 W96 K97 I99	R76-T90 HydrophobicContact CG-CG2 3.94Å; T90-W96 WeakPolarHBondContact O-CA 3.37Å; T90-K97 PolarHBondContact N-O 3.18Å; T90-K97 PolarHBondContact O-N 3Å; T90-K97 PolarHBondContact OG1-O 3.26Å; T90-I99 HydrophobicContact CG2-CD1 4.14Å
91	Y	97.4	Very high	97.3	Very high	89 Å²	89	51.4 Å²	51.4	35%	0.349	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122	176.9	-169.1	-116.7	0	0	0	111.2	H56 G93 W96	H56-Y91 AromaticContact CE1-CE2 3.64Å; H56-Y91 AromaticContact NE2-CE2 3.56Å; H56-Y91 AromaticContact NE2-CZ 3.94Å; Y91-G93 VanDerWaalsContact C-N 3.33Å; Y91-G93 VanDerWaalsContact CE1-C 3.49Å; Y91-G93 VanDerWaalsContact OH-C 3.3Å; Y91-G93 PolarHBondContact OH-O 3.25Å; Y91-W96 AromaticContact CD2-CD1 3.57Å; Y91-W96 AromaticContact CD2-CD2 4Å; Y91-W96 HydrophobicContact CD2-CD2 4Å; Y91-W96 AromaticContact CD2-CE2 3.76Å; Y91-W96 AromaticContact CD2-CG 3.91Å; Y91-W96 HydrophobicContact CD2-CG 3.91Å; Y91-W96 HydrophobicContact CD2-CZ2 4.45Å; Y91-W96 AromaticContact CD2-NE1 3.43Å; Y91-W96 AromaticContact CE2-NE1 3.94Å; Y91-W96 HydrophobicContact CG-CD2 4.42Å; Y91-W96 HydrophobicContact CG-CZ2 4.38Å
92	D	95	Very high	97.2	Very high	91 Å²	91	54 Å²	54	49%	0.487	28%	0.283	S	S	.	.			trans	-89.8	5.7	179.8	67.8	11.9	0	0	0	113.8	K94 S95 K97	D92-K94 WeakPolarHBondContact OD1-CA 3.19Å; D92-K94 PolarHBondContact OD1-N 2.57Å; D92-S95 PolarHBondContact N-O 3.17Å; D92-S95 VanDerWaalsContact N-O 3.09Å; D92-S95 PolarHBondContact OD1-N 3.4Å; D92-S95 PolarHBondContact OD2-OG 2.96Å; D92-K97 VanDerWaalsContact OD2-CE 3.29Å; D92-K97 WeakPolarHBondContact OD2-CE 3.43Å
93	G	94.1	Very high	97	Very high	54 Å²	54	50.3 Å²	50.3	56%	0.557	27%	0.266	S	S	*	.	S	Bend	trans	97.9	-17.4	-174	0	0	0	0	0	114	Y91	Y91-G93 VanDerWaalsContact C-N 3.33Å; Y91-G93 VanDerWaalsContact CE1-C 3.49Å; Y91-G93 VanDerWaalsContact OH-C 3.3Å; Y91-G93 PolarHBondContact OH-O 3.25Å
94	K	94.7	Very high	96.9	Very high	179 Å²	179	56.6 Å²	56.6	78%	0.778	29%	0.288	S	S	*	.	S	Bend	trans	-123.8	-39.7	178.1	-175.9	179.2	179.3	-178.9	0	112.7	D92	D92-K94 WeakPolarHBondContact OD1-CA 3.19Å; D92-K94 PolarHBondContact OD1-N 2.57Å
95	S	96.2	Very high	96.8	Very high	32 Å²	32	52.9 Å²	52.9	22%	0.224	27%	0.273	C	S	.	.	S	Bend	trans	-146.1	154.2	-175.1	63.2	0	0	0	0	111.7	D92 K97	D92-S95 PolarHBondContact N-O 3.17Å; D92-S95 VanDerWaalsContact N-O 3.09Å; D92-S95 PolarHBondContact OD1-N 3.4Å; D92-S95 PolarHBondContact OD2-OG 2.96Å; S95-K97 WeakPolarHBondContact OG-CE 3.46Å; S95-K97 PolarHBondContact OG-NZ 2.85Å
96	W	98.2	Very high	96.8	Very high	19 Å²	19	57.3 Å²	57.3	7%	0.072	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.2	169.7	-71.1	87.3	0	0	0	109.5	I44 H56 L58 W70 N75 I77 W89 T90 Y91	I44-W96 HydrophobicContact CD1-CD2 4.06Å; I44-W96 VanDerWaalsContact CD1-CE2 3.48Å; I44-W96 HydrophobicContact CD1-CG 4.2Å; I44-W96 HydrophobicContact CD1-CZ2 3.91Å; I44-W96 VanDerWaalsContact CD1-NE1 3.29Å; H56-W96 AromaticContact CD2-CD1 3.6Å; H56-W96 AromaticContact CD2-NE1 3.33Å; H56-W96 PolarHBondContact CD2-NE1 3.27Å; H56-W96 VanDerWaalsContact CD2-NE1 3.33Å; H56-W96 AromaticContact CG-CD1 3.58Å; H56-W96 AromaticContact CG-NE1 3.82Å; H56-W96 AromaticContact NE2-NE1 3.85Å; L58-W96 HydrophobicContact CD2-CB 3.28Å; L58-W96 HydrophobicContact CD2-CG 3.72Å; W70-W96 AromaticContact CE2-CH2 3.99Å; W70-W96 HydrophobicContact CH2-CZ2 4.14Å; W70-W96 AromaticContact CZ2-CH2 3.65Å; W70-W96 HydrophobicContact CZ2-CH2 3.65Å; W70-W96 AromaticContact CZ2-CZ2 3.61Å; W70-W96 HydrophobicContact CZ2-CZ2 3.61Å; N75-W96 WeakPolarHBondContact O-CH2 3.5Å; N75-W96 WeakPolarHBondContact O-CZ3 3.45Å; I77-W96 HydrophobicContact CB-CZ3 4.34Å; I77-W96 HydrophobicContact CD1-CD2 4.41Å; I77-W96 HydrophobicContact CD1-CE3 4.18Å; I77-W96 HydrophobicContact CD1-CH2 3.56Å; I77-W96 HydrophobicContact CD1-CZ2 3.83Å; I77-W96 HydrophobicContact CD1-CZ3 3.76Å; I77-W96 HydrophobicContact CG1-CH2 3.8Å; I77-W96 HydrophobicContact CG1-CZ3 3.81Å; W89-W96 HydrophobicContact CB-CE3 3.66Å; W89-W96 HydrophobicContact CB-CZ3 4.28Å; W89-W96 HydrophobicContact CE3-CB 4.28Å; W89-W96 WeakPolarHBondContact O-CZ3 3.4Å; T90-W96 WeakPolarHBondContact O-CA 3.37Å; Y91-W96 AromaticContact CD2-CD1 3.57Å; Y91-W96 AromaticContact CD2-CD2 4Å; Y91-W96 HydrophobicContact CD2-CD2 4Å; Y91-W96 AromaticContact CD2-CE2 3.76Å; Y91-W96 AromaticContact CD2-CG 3.91Å; Y91-W96 HydrophobicContact CD2-CG 3.91Å; Y91-W96 HydrophobicContact CD2-CZ2 4.45Å; Y91-W96 AromaticContact CD2-NE1 3.43Å; Y91-W96 AromaticContact CE2-NE1 3.94Å; Y91-W96 HydrophobicContact CG-CD2 4.42Å; Y91-W96 HydrophobicContact CG-CZ2 4.38Å
97	K	97.9	Very high	96.8	Very high	101 Å²	101	65.1 Å²	65.1	44%	0.439	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.3	177.4	-61.4	-53.7	-169.9	-160.7	0	110.3	W89 T90 D92 S95	W89-K97 WeakPolarHBondContact CA-O 3.5Å; T90-K97 PolarHBondContact N-O 3.18Å; T90-K97 PolarHBondContact O-N 3Å; T90-K97 PolarHBondContact OG1-O 3.26Å; D92-K97 VanDerWaalsContact OD2-CE 3.29Å; D92-K97 WeakPolarHBondContact OD2-CE 3.43Å; S95-K97 WeakPolarHBondContact OG-CE 3.46Å; S95-K97 PolarHBondContact OG-NZ 2.85Å
98	P	97.7	Very high	96.7	Very high	45 Å²	45	65.6 Å²	65.6	29%	0.292	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	141.3	176	33.9	-38.1	0	0	0	111.1	E60 F87 W89	E60-P98 HydrophobicContact CG-CB 3.85Å; E60-P98 HydrophobicContact CG-CG 3.66Å; F87-P98 HydrophobicContact CB-CB 4.46Å; F87-P98 HydrophobicContact CD1-CB 3.97Å; F87-P98 HydrophobicContact CG-CB 4.37Å; W89-P98 HydrophobicContact CD2-CB 4.28Å; W89-P98 HydrophobicContact CE3-CB 3.78Å; W89-P98 HydrophobicContact CE3-CG 4.46Å; W89-P98 HydrophobicContact CH2-CB 4.03Å; W89-P98 HydrophobicContact CZ2-CB 4.44Å; W89-P98 HydrophobicContact CZ3-CB 3.67Å; W89-P98 HydrophobicContact CZ3-CG 4.08Å
99	I	96.5	Very high	96.8	Very high	60 Å²	60	65.6 Å²	65.6	31%	0.308	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.4	166.2	-56.3	173.8	0	0	0	107.1	F87 V88 T90	F87-I99 WeakPolarHBondContact CA-O 3.29Å; V88-I99 PolarHBondContact N-O 3.06Å; V88-I99 PolarHBondContact O-N 3.19Å; T90-I99 HydrophobicContact CG2-CD1 4.14Å
100	V	96.3	Very high	96.8	Very high	85 Å²	85	67.1 Å²	67.1	52%	0.515	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.3	-179	66.4	0	0	0	0	111.5	F87	F87-V100 HydrophobicContact CD1-CB 4.25Å; F87-V100 HydrophobicContact CE1-CB 4.05Å; F87-V100 HydrophobicContact CE1-CG2 4.21Å
101	V	97.3	Very high	96.8	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.018	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-102.8	123.9	174.4	-177	0	0	0	0	109.6	A86 V88 V103 I121 C133 W142	A86-V101 HydrophobicContact CB-CB 4.16Å; A86-V101 WeakPolarHBondContact O-CB 3.32Å; A86-V101 PolarHBondContact O-N 3.23Å; V88-V101 HydrophobicContact CB-CG2 4.45Å; V88-V101 HydrophobicContact CG2-CG2 3.65Å; V101-V103 VanDerWaalsContact C-N 3.34Å; V101-V103 HydrophobicContact CB-CG1 4.14Å; V101-V103 HydrophobicContact CG1-CG1 3.74Å; V101-V103 PolarHBondContact O-N 3.34Å; V101-I121 HydrophobicContact CG2-CD1 4.41Å; V101-C133 HydrophobicContact CG1-CB 3.57Å; V101-W142 HydrophobicContact CB-CB 4.24Å; V101-W142 HydrophobicContact CB-CG 4.46Å; V101-W142 HydrophobicContact CG1-CB 3.94Å; V101-W142 HydrophobicContact CG1-CG 4.33Å; V101-W142 HydrophobicContact CG2-CB 4.32Å; V101-W142 HydrophobicContact CG2-CD2 4.27Å; V101-W142 HydrophobicContact CG2-CG 4.01Å
102	V	94.9	Very high	96.9	Very high	54 Å²	54	61.8 Å²	61.8	33%	0.327	32%	0.317	S	S	.	.			trans	-79.6	81.6	-179.3	-173.8	0	0	0	0	111	R104 W141 W142 S144	V102-R104 HydrophobicContact CG1-CG 4Å; V102-W141 HydrophobicContact CB-CE3 4.1Å; V102-W141 HydrophobicContact CB-CZ3 3.85Å; V102-W141 HydrophobicContact CG1-CZ3 4.06Å; V102-W141 HydrophobicContact CG2-CE3 3.61Å; V102-W141 HydrophobicContact CG2-CZ3 3.73Å; V102-W142 WeakPolarHBondContact CB-O 3.19Å; V102-W142 PolarHBondContact N-O 2.9Å; V102-S144 WeakPolarHBondContact O-CB 3.31Å; V102-S144 PolarHBondContact O-OG 2.94Å
103	V	95.3	Very high	97	Very high	7 Å²	7	59 Å²	59	4%	0.042	30%	0.3	C	S	.	.			trans	-82.8	-24.6	-173.2	-65.8	0	0	0	0	115.1	K84 A86 V101 L105 I123 S131 Q146	K84-V103 WeakPolarHBondContact O-CG2 3.3Å; A86-V103 HydrophobicContact CB-CG1 3.88Å; V101-V103 VanDerWaalsContact C-N 3.34Å; V101-V103 HydrophobicContact CB-CG1 4.14Å; V101-V103 HydrophobicContact CG1-CG1 3.74Å; V101-V103 PolarHBondContact O-N 3.34Å; V103-L105 HydrophobicContact CB-CD1 4.33Å; V103-L105 HydrophobicContact CB-CG 3.97Å; V103-L105 HydrophobicContact CG2-CB 4.35Å; V103-L105 HydrophobicContact CG2-CD1 4.04Å; V103-L105 HydrophobicContact CG2-CG 3.78Å; V103-L105 PolarHBondContact O-N 2.98Å; V103-I123 HydrophobicContact CG1-CD1 3.36Å; V103-S131 PolarHBondContact O-OG 2.86Å; V103-Q146 PolarHBondContact O-NE2 2.86Å
104	R	95.4	Very high	97.3	Very high	150 Å²	150	57.2 Å²	57.2	57%	0.566	28%	0.276	S	S	*	.			trans	56.4	42.6	179.9	-59.4	-177.8	-80.2	-169.8	-7.4	114.5	V102 S144 Q146	V102-R104 HydrophobicContact CG1-CG 4Å; R104-S144 PolarHBondContact NE-OG 2.91Å; R104-S144 PolarHBondContact NH2-O 2.84Å; R104-S144 PolarHBondContact NH2-OG 3.06Å; R104-Q146 PolarHBondContact O-NE2 2.89Å
105	L	96.3	Very high	97.4	Very high	13 Å²	13	48.8 Å²	48.8	7%	0.068	24%	0.24	C	C	.	.			trans	-86	146.1	177.6	-59.9	-178.5	0	0	0	111.6	K84 V103 A109 I123 L129	K84-L105 HydrophobicContact CB-CB 4.19Å; V103-L105 HydrophobicContact CB-CD1 4.33Å; V103-L105 HydrophobicContact CB-CG 3.97Å; V103-L105 HydrophobicContact CG2-CB 4.35Å; V103-L105 HydrophobicContact CG2-CD1 4.04Å; V103-L105 HydrophobicContact CG2-CG 3.78Å; V103-L105 PolarHBondContact O-N 2.98Å; L105-A109 HydrophobicContact CD1-CB 3.85Å; L105-I123 HydrophobicContact CD1-CG2 4.03Å; L105-L129 HydrophobicContact CD2-CD1 3.56Å
106	Q	97.3	Very high	97.5	Very high	150 Å²	150	50.2 Å²	50.2	70%	0.701	25%	0.249	S	C	*	.	S	Bend	trans	-102.5	-20	176.9	-64.7	-61.4	-36.7	0	0	112.6	K84 S127	K84-Q106 VanDerWaalsContact CE-O 3.31Å; K84-Q106 WeakPolarHBondContact CE-O 3.32Å; K84-Q106 PolarHBondContact NZ-O 3.11Å; Q106-S127 PolarHBondContact N-OG 2.82Å; Q106-S127 VanDerWaalsContact N-OG 3.09Å
107	R	98.2	Very high	97.4	Very high	164 Å²	164	54.3 Å²	54.3	62%	0.619	27%	0.271	S	S	*	.	S	Bend	trans	-130.5	167	176.7	-64	-179.5	174.6	-85.2	-1.4	109.7	S125 G126 S127	R107-S125 PolarHBondContact O-OG 3.09Å; R107-G126 VanDerWaalsContact CD-O 3.22Å; R107-G126 WeakPolarHBondContact CD-O 3.46Å; R107-S127 PolarHBondContact N-OG 3.17Å
108	A	98.3	Very high	97.4	Very high	30 Å²	30	49.9 Å²	49.9	25%	0.248	25%	0.252	C	S	.	.			trans	-40.9	138.8	-179.9	0	0	0	0	0	113.4	Q82 S125 G126	Q82-A108 HydrophobicContact CB-CB 4.11Å; Q82-A108 HydrophobicContact CG-CB 4.2Å; A108-S125 WeakPolarHBondContact O-CA 3.19Å; A108-S125 WeakPolarHBondContact O-CB 3.13Å; A108-S125 PolarHBondContact O-OG 3.35Å; A108-G126 PolarHBondContact O-N 3.02Å
109	A	98.7	Very high	97.3	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	153.4	159.4	0	0	0	0	0	108.7	T66 C80 A81 L105 I123 G124	T66-A109 PolarHBondContact OG1-O 3.14Å; C80-A109 HydrophobicContact CB-CB 3.65Å; A81-A109 VanDerWaalsContact O-CB 3.32Å; A81-A109 WeakPolarHBondContact O-CB 3.49Å; A81-A109 PolarHBondContact O-N 3.44Å; L105-A109 HydrophobicContact CD1-CB 3.85Å; A109-I123 HydrophobicContact CB-CG2 3.9Å; A109-G124 WeakPolarHBondContact CA-O 3.22Å
110	T	98.5	Very high	97.4	Very high	39 Å²	39	46.8 Å²	46.8	24%	0.239	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	-27.4	-173.1	46.3	0	0	0	0	113.2	G124 S125 T154 V155	T110-G124 PolarHBondContact N-O 2.79Å; T110-G124 PolarHBondContact OG1-O 2.88Å; T110-S125 PolarHBondContact OG1-N 2.94Å; T110-T154 HydrophobicContact CG2-CG2 3.69Å; T110-V155 WeakPolarHBondContact CB-O 3.27Å; T110-V155 PolarHBondContact OG1-O 2.81Å
111	C	98.5	Very high	97.5	Very high	18 Å²	18	42.8 Å²	42.8	12%	0.122	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	153.8	176.2	53.8	0	0	0	0	109.9	C80 I123 G124	C80-C111 VanDerWaalsContact SG-C 3.58Å; C111-I123 WeakPolarHBondContact O-CA 3.12Å; C111-G124 PolarHBondContact O-N 3.47Å
112	V	98.8	Very high	97.6	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.5	177.4	61.8	0	0	0	0	110.4	G67 V78 C80 I121 A122 I123	G67-V112 VanDerWaalsContact C-CG1 3.49Å; G67-V112 WeakPolarHBondContact O-CG1 3.49Å; V78-V112 HydrophobicContact CB-CG2 4.31Å; V78-V112 HydrophobicContact CG1-CG1 4.17Å; V78-V112 HydrophobicContact CG1-CG2 3.6Å; V78-V112 HydrophobicContact CG2-CG2 3.71Å; C80-V112 HydrophobicContact CB-CB 4.05Å; C80-V112 HydrophobicContact CB-CG1 4.16Å; V112-I121 HydrophobicContact CG2-CG2 3.4Å; V112-I121 VanDerWaalsContact CG2-CG2 3.4Å; V112-A122 CarbonylContact C-O 3.53Å; V112-A122 VanDerWaalsContact CA-O 3.29Å; V112-A122 WeakPolarHBondContact CA-O 3.19Å; V112-I123 HydrophobicContact CB-CG1 4.12Å; V112-I123 HydrophobicContact CG2-CD1 4.37Å; V112-I123 HydrophobicContact CG2-CG1 3.62Å
113	K	98.8	Very high	97.8	Very high	33 Å²	33	40 Å²	40	14%	0.143	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.9	170.6	-69.3	-62	176.9	-162.6	0	112.1	D69 A122 L158 W160 E339	D69-K113 HydrophobicContact CB-CD 4.37Å; D69-K113 IonicContact OD1-NZ 3.57Å; D69-K113 VanDerWaalsContact OD2-CA 3.32Å; D69-K113 WeakPolarHBondContact OD2-CA 3.26Å; D69-K113 WeakPolarHBondContact OD2-CD 3.44Å; K113-A122 PolarHBondContact N-O 3.28Å; K113-A122 PolarHBondContact O-N 2.77Å; K113-L158 HydrophobicContact CG-CB 4.48Å; K113-W160 PolarHBondContact O-NE1 3.29Å; K113-W160 VanDerWaalsContact O-NE1 3.08Å; K113-E339 IonicContact NZ-OE1 3.94Å
114	W	98.6	Very high	97.9	Very high	15 Å²	15	39.7 Å²	39.7	6%	0.057	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	143.6	162.2	-79.8	111.9	0	0	0	110	D69 R76 V78 V88 E118 I121 W142 W160	D69-W114 PolarHBondContact O-NE1 2.9Å; D69-W114 PolarHBondContact OD2-N 2.97Å; R76-W114 HydrophobicContact CB-CZ2 4.01Å; R76-W114 PolarHBondContact O-NE1 3.26Å; V78-W114 HydrophobicContact CB-CZ2 4.02Å; V78-W114 HydrophobicContact CG1-CD2 4.36Å; V78-W114 HydrophobicContact CG1-CG 4.17Å; V78-W114 VanDerWaalsContact CG1-NE1 3.31Å; V88-W114 HydrophobicContact CG1-CH2 4.2Å; V88-W114 HydrophobicContact CG1-CZ2 4.03Å; V88-W114 HydrophobicContact CG2-CH2 4Å; V88-W114 HydrophobicContact CG2-CZ2 3.97Å; W114-E118 HydrophobicContact CE3-CB 4.34Å; W114-I121 HydrophobicContact CD2-CG1 4.03Å; W114-I121 HydrophobicContact CE3-CD1 4.34Å; W114-I121 HydrophobicContact CE3-CG1 3.51Å; W114-I121 HydrophobicContact CH2-CD1 3.58Å; W114-I121 HydrophobicContact CH2-CG1 3.7Å; W114-I121 HydrophobicContact CZ2-CD1 4.04Å; W114-I121 HydrophobicContact CZ2-CG1 4.2Å; W114-I121 HydrophobicContact CZ3-CD1 3.77Å; W114-I121 HydrophobicContact CZ3-CG1 3.34Å; W114-W142 AromaticContact CH2-CH2 3.53Å; W114-W142 HydrophobicContact CH2-CH2 3.53Å; W114-W142 AromaticContact CH2-CZ2 3.86Å; W114-W142 HydrophobicContact CH2-CZ2 3.86Å; W114-W142 HydrophobicContact CH2-CZ3 4.5Å; W114-W142 AromaticContact CZ3-CH2 3.63Å; W114-W142 HydrophobicContact CZ3-CH2 3.63Å; W114-W142 HydrophobicContact CZ3-CZ2 4.41Å; W114-W142 HydrophobicContact CZ3-CZ3 4.37Å; W114-W160 PolarHBondContact O-NE1 2.84Å
115	S	98.3	Very high	98.1	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.014	16%	0.164	C	C	.	.			trans	-72.6	156	168	79.1	0	0	0	0	110.3	L117 E118 N119 K120 N164	S115-L117 PolarHBondContact O-N 2.8Å; S115-L117 VanDerWaalsContact O-N 3.09Å; S115-E118 WeakPolarHBondContact O-CA 3.32Å; S115-E118 PolarHBondContact O-N 2.94Å; S115-N119 PolarHBondContact OG-N 2.83Å; S115-N119 PolarHBondContact OG-OD1 2.76Å; S115-K120 WeakPolarHBondContact CB-O 3.41Å; S115-K120 PolarHBondContact N-O 2.89Å; S115-K120 PolarHBondContact OG-N 3.34Å; S115-K120 VanDerWaalsContact OG-N 3.08Å; S115-K120 PolarHBondContact OG-O 3Å; S115-N164 WeakPolarHBondContact CB-OD1 3.18Å; S115-N164 PolarHBondContact OG-OD1 2.8Å
116	P	97.1	Very high	98.2	Very high	63 Å²	63	32.4 Å²	32.4	41%	0.409	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.7	-176.9	-29.6	34.4	0	0	0	115.2	W160 N164	P116-W160 HydrophobicContact CG-CB 4.08Å; P116-N164 VanDerWaalsContact CD-OD1 3.32Å; P116-N164 WeakPolarHBondContact CD-OD1 3.19Å
117	L	96.7	Very high	98.2	Very high	104 Å²	104	26.4 Å²	26.4	55%	0.545	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	3.5	175.8	-59.7	-178	0	0	0	113.6	S115 N119 N164	S115-L117 PolarHBondContact O-N 2.8Å; S115-L117 VanDerWaalsContact O-N 3.09Å; L117-N119 PolarHBondContact O-N 3.13Å; L117-N164 HydrophobicContact CD1-CB 3.96Å; L117-N164 HydrophobicContact CG-CB 3.86Å; L117-N164 PolarHBondContact N-OD1 3.13Å
118	E	97.9	Very high	98.2	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.037	13%	0.133	C	C	.	.	S	Bend	trans	54.2	25.8	-179.2	-61.2	174.1	-139	0	0	114	G71 P72 Q73 T74 R76 W114 S115	G71-E118 VanDerWaalsContact CA-CD 3.45Å; G71-E118 WeakPolarHBondContact CA-OE2 3.11Å; P72-E118 WeakPolarHBondContact CD-OE1 3.46Å; P72-E118 WeakPolarHBondContact CG-OE1 3.22Å; P72-E118 VanDerWaalsContact N-OE1 3.1Å; Q73-E118 WeakPolarHBondContact CA-OE1 3.37Å; Q73-E118 VanDerWaalsContact CB-OE1 3.31Å; Q73-E118 WeakPolarHBondContact CB-OE1 3.5Å; Q73-E118 WeakPolarHBondContact CG-OE1 3.27Å; Q73-E118 PolarHBondContact N-OE1 3.28Å; T74-E118 WeakPolarHBondContact CA-OE2 3.46Å; T74-E118 WeakPolarHBondContact CB-OE2 3.35Å; T74-E118 HydrophobicContact CG2-CB 4.11Å; T74-E118 VanDerWaalsContact CG2-OE2 3.27Å; T74-E118 WeakPolarHBondContact CG2-OE2 3.44Å; T74-E118 PolarHBondContact N-OE2 2.86Å; T74-E118 PolarHBondContact OG1-OE2 2.87Å; R76-E118 PolarHBondContact NH2-O 2.62Å; W114-E118 HydrophobicContact CE3-CB 4.34Å; S115-E118 WeakPolarHBondContact O-CA 3.32Å; S115-E118 PolarHBondContact O-N 2.94Å
119	N	96.4	Very high	98.2	Very high	41 Å²	41	22.8 Å²	22.8	22%	0.219	12%	0.124	C	C	.	.	S	Bend	trans	-102.5	-12.2	179	70.9	-24.1	0	0	0	112.8	S115 L117 N164 T186	S115-N119 PolarHBondContact OG-N 2.83Å; S115-N119 PolarHBondContact OG-OD1 2.76Å; L117-N119 PolarHBondContact O-N 3.13Å; N119-N164 PolarHBondContact OD1-ND2 3.11Å; N119-N164 PolarHBondContact OD1-OD1 2.65Å; N119-T186 PolarHBondContact ND2-O 2.7Å
120	K	98	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.7	175	-57.7	-171.3	-66.8	-78.4	0	111	S115 I132 C133 F134 W160 N164 A181 V183 T186 D187	S115-K120 WeakPolarHBondContact CB-O 3.41Å; S115-K120 PolarHBondContact N-O 2.89Å; S115-K120 PolarHBondContact OG-N 3.34Å; S115-K120 VanDerWaalsContact OG-N 3.08Å; S115-K120 PolarHBondContact OG-O 3Å; K120-I132 HydrophobicContact CB-CG2 4.4Å; K120-I132 HydrophobicContact CD-CG2 4Å; K120-C133 CarbonylContact C-O 3.52Å; K120-C133 VanDerWaalsContact CA-O 3.22Å; K120-C133 WeakPolarHBondContact CA-O 3.3Å; K120-F134 HydrophobicContact CG-CB 4.3Å; K120-W160 HydrophobicContact CB-CH2 3.97Å; K120-W160 HydrophobicContact CB-CZ2 4.1Å; K120-W160 HydrophobicContact CD-CH2 4.21Å; K120-W160 VanDerWaalsContact CE-CH2 3.45Å; K120-N164 WeakPolarHBondContact CE-O 3.37Å; K120-N164 PolarHBondContact NZ-ND2 2.56Å; K120-N164 PolarHBondContact NZ-O 2.69Å; K120-A181 WeakPolarHBondContact CE-O 3.38Å; K120-V183 HydrophobicContact CD-CB 4.08Å; K120-V183 HydrophobicContact CD-CG2 3.88Å; K120-T186 HydrophobicContact CG-CG2 4.47Å; K120-D187 IonicContact NZ-OD1 3.84Å; K120-D187 PolarHBondContact NZ-OD1 3.22Å; K120-D187 IonicContact NZ-OD2 3.47Å; K120-D187 PolarHBondContact NZ-OD2 3.38Å
121	I	98.6	Very high	98.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	132.5	174	-57.3	165	0	0	0	107.3	V78 V88 V101 V112 W114 I123 I132 C133 W142	V78-I121 HydrophobicContact CB-CD1 4.49Å; V78-I121 HydrophobicContact CG1-CG2 4.45Å; V78-I121 HydrophobicContact CG2-CD1 3.95Å; V78-I121 HydrophobicContact CG2-CG2 3.91Å; V88-I121 HydrophobicContact CG2-CD1 3.46Å; V88-I121 VanDerWaalsContact CG2-CD1 3.46Å; V101-I121 HydrophobicContact CG2-CD1 4.41Å; V112-I121 HydrophobicContact CG2-CG2 3.4Å; V112-I121 VanDerWaalsContact CG2-CG2 3.4Å; W114-I121 HydrophobicContact CD2-CG1 4.03Å; W114-I121 HydrophobicContact CE3-CD1 4.34Å; W114-I121 HydrophobicContact CE3-CG1 3.51Å; W114-I121 HydrophobicContact CH2-CD1 3.58Å; W114-I121 HydrophobicContact CH2-CG1 3.7Å; W114-I121 HydrophobicContact CZ2-CD1 4.04Å; W114-I121 HydrophobicContact CZ2-CG1 4.2Å; W114-I121 HydrophobicContact CZ3-CD1 3.77Å; W114-I121 HydrophobicContact CZ3-CG1 3.34Å; I121-I123 HydrophobicContact CG2-CD1 4.05Å; I121-I123 HydrophobicContact CG2-CG1 3.86Å; I121-I132 CarbonylContact O-C 3.49Å; I121-I132 WeakPolarHBondContact O-CA 3.31Å; I121-C133 HydrophobicContact CB-CB 4.3Å; I121-C133 PolarHBondContact N-O 3.43Å; I121-C133 PolarHBondContact O-N 3.45Å; I121-W142 HydrophobicContact CD1-CD2 4.44Å; I121-W142 HydrophobicContact CD1-CE3 3.9Å; I121-W142 HydrophobicContact CD1-CH2 3.65Å; I121-W142 HydrophobicContact CD1-CZ2 4.19Å; I121-W142 HydrophobicContact CD1-CZ3 3.46Å; I121-W142 VanDerWaalsContact CD1-CZ3 3.46Å; I121-W142 HydrophobicContact CG1-CH2 4.18Å; I121-W142 HydrophobicContact CG1-CZ3 3.91Å
122	A	98.8	Very high	98.2	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	131	169.3	0	0	0	0	0	109.9	V112 K113 V130 S131 I132 L158 W160 L167	V112-A122 CarbonylContact C-O 3.53Å; V112-A122 VanDerWaalsContact CA-O 3.29Å; V112-A122 WeakPolarHBondContact CA-O 3.19Å; K113-A122 PolarHBondContact N-O 3.28Å; K113-A122 PolarHBondContact O-N 2.77Å; A122-V130 HydrophobicContact CB-CG1 4.23Å; A122-S131 WeakPolarHBondContact CA-O 3.43Å; A122-I132 HydrophobicContact CB-CD1 3.69Å; A122-L158 HydrophobicContact CB-CD1 3.87Å; A122-W160 HydrophobicContact CB-CZ2 3.59Å; A122-L167 HydrophobicContact CB-CD1 3.91Å; A122-L167 HydrophobicContact CB-CD2 3.7Å
123	I	98.9	Very high	98.2	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.6	-180	-62.4	165.7	0	0	0	109.7	C80 A86 V103 L105 A109 C111 V112 I121 V130 S131	C80-I123 HydrophobicContact CB-CG2 4.31Å; A86-I123 HydrophobicContact CB-CD1 3.49Å; A86-I123 VanDerWaalsContact CB-CD1 3.49Å; V103-I123 HydrophobicContact CG1-CD1 3.36Å; L105-I123 HydrophobicContact CD1-CG2 4.03Å; A109-I123 HydrophobicContact CB-CG2 3.9Å; C111-I123 WeakPolarHBondContact O-CA 3.12Å; V112-I123 HydrophobicContact CB-CG1 4.12Å; V112-I123 HydrophobicContact CG2-CD1 4.37Å; V112-I123 HydrophobicContact CG2-CG1 3.62Å; I121-I123 HydrophobicContact CG2-CD1 4.05Å; I121-I123 HydrophobicContact CG2-CG1 3.86Å; I123-V130 CarbonylContact O-C 3.57Å; I123-V130 VanDerWaalsContact O-CA 3.29Å; I123-V130 WeakPolarHBondContact O-CA 3.36Å; I123-S131 PolarHBondContact N-O 3.08Å; I123-S131 PolarHBondContact O-N 3.25Å
124	G	98.7	Very high	98.1	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	150.3	173.3	0	0	0	0	0	110.8	A109 T110 C111 L158	A109-G124 WeakPolarHBondContact CA-O 3.22Å; T110-G124 PolarHBondContact N-O 2.79Å; T110-G124 PolarHBondContact OG1-O 2.88Å; C111-G124 PolarHBondContact O-N 3.47Å; G124-L158 VanDerWaalsContact N-CD1 3.31Å
125	S	98.7	Very high	98	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	154.7	-178.7	177.9	0	0	0	0	113.1	R107 A108 T110 S127 K128 L129 V155	R107-S125 PolarHBondContact O-OG 3.09Å; A108-S125 WeakPolarHBondContact O-CA 3.19Å; A108-S125 WeakPolarHBondContact O-CB 3.13Å; A108-S125 PolarHBondContact O-OG 3.35Å; T110-S125 PolarHBondContact OG1-N 2.94Å; S125-S127 PolarHBondContact O-N 3.25Å; S125-S127 VanDerWaalsContact O-N 3.11Å; S125-S127 VanDerWaalsContact OG-CB 3.3Å; S125-S127 WeakPolarHBondContact OG-CB 3.29Å; S125-S127 PolarHBondContact OG-N 3.12Å; S125-S127 PolarHBondContact OG-OG 3.19Å; S125-K128 PolarHBondContact O-N 3.04Å; S125-L129 PolarHBondContact N-O 3.26Å; S125-V155 PolarHBondContact O-N 2.84Å
126	G	98.5	Very high	97.7	Very high	10 Å²	10	23.8 Å²	23.8	10%	0.103	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.5	162	0	0	0	0	0	113.7	R107 A108 K128	R107-G126 VanDerWaalsContact CD-O 3.22Å; R107-G126 WeakPolarHBondContact CD-O 3.46Å; A108-G126 PolarHBondContact O-N 3.02Å; G126-K128 PolarHBondContact O-N 2.85Å; G126-K128 VanDerWaalsContact O-N 3.16Å
127	S	98	Very high	97.3	Very high	23 Å²	23	29.7 Å²	29.7	16%	0.161	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	3.7	173	-51.6	0	0	0	0	113.3	Q106 R107 S125 L129	Q106-S127 PolarHBondContact N-OG 2.82Å; Q106-S127 VanDerWaalsContact N-OG 3.09Å; R107-S127 PolarHBondContact N-OG 3.17Å; S125-S127 PolarHBondContact O-N 3.25Å; S125-S127 VanDerWaalsContact O-N 3.11Å; S125-S127 VanDerWaalsContact OG-CB 3.3Å; S125-S127 WeakPolarHBondContact OG-CB 3.29Å; S125-S127 PolarHBondContact OG-N 3.12Å; S125-S127 PolarHBondContact OG-OG 3.19Å; S127-L129 VanDerWaalsContact C-N 3.32Å; S127-L129 PolarHBondContact O-N 2.57Å
128	K	98.3	Very high	97	Very high	106 Å²	106	33.8 Å²	33.8	46%	0.461	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	40.2	179.1	-45.3	171.8	176	-164.8	0	112.2	S125 G126 I151 R152 S153	S125-K128 PolarHBondContact O-N 3.04Å; G126-K128 PolarHBondContact O-N 2.85Å; G126-K128 VanDerWaalsContact O-N 3.16Å; K128-I151 HydrophobicContact CB-CG2 4.3Å; K128-I151 WeakPolarHBondContact O-CB 3.44Å; K128-R152 VanDerWaalsContact CD-O 3.27Å; K128-R152 WeakPolarHBondContact CD-O 3.32Å; K128-R152 VanDerWaalsContact CE-O 3.3Å; K128-R152 WeakPolarHBondContact CE-O 3.4Å; K128-R152 PolarHBondContact NZ-O 2.78Å; K128-S153 WeakPolarHBondContact CA-O 3.27Å
129	L	98.4	Very high	96.6	Very high	13 Å²	13	37.9 Å²	37.9	7%	0.068	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	164.6	-178.7	65.4	81.9	0	0	0	110.2	L105 S125 S127 Q146 I147 K148	L105-L129 HydrophobicContact CD2-CD1 3.56Å; S125-L129 PolarHBondContact N-O 3.26Å; S127-L129 VanDerWaalsContact C-N 3.32Å; S127-L129 PolarHBondContact O-N 2.57Å; L129-Q146 HydrophobicContact CD1-CG 4.25Å; L129-I147 CarbonylContact C-O 3.54Å; L129-I147 VanDerWaalsContact CA-O 3.24Å; L129-I147 WeakPolarHBondContact CA-O 3.46Å; L129-I147 WeakPolarHBondContact CB-O 3.48Å; L129-K148 HydrophobicContact CB-CG 3.96Å; L129-K148 HydrophobicContact CD2-CG 4.24Å
130	V	98.7	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.9	168.2	-176.3	0	0	0	0	108.9	A122 I123 I132 Q146 I147 I151 V155 L158 L167 V169	A122-V130 HydrophobicContact CB-CG1 4.23Å; I123-V130 CarbonylContact O-C 3.57Å; I123-V130 VanDerWaalsContact O-CA 3.29Å; I123-V130 WeakPolarHBondContact O-CA 3.36Å; V130-I132 HydrophobicContact CG1-CD1 3.76Å; V130-Q146 CarbonylContact O-C 3.58Å; V130-Q146 WeakPolarHBondContact O-CA 3.29Å; V130-I147 HydrophobicContact CB-CB 4.37Å; V130-I147 PolarHBondContact N-O 3.11Å; V130-I147 PolarHBondContact O-N 2.74Å; V130-I151 HydrophobicContact CG2-CD1 4.04Å; V130-V155 HydrophobicContact CG2-CG1 4.16Å; V130-V155 HydrophobicContact CG2-CG2 3.89Å; V130-L158 HydrophobicContact CG1-CD1 4.17Å; V130-L158 HydrophobicContact CG1-CD2 4.12Å; V130-L158 HydrophobicContact CG2-CD2 3.91Å; V130-L167 HydrophobicContact CG1-CD2 3.84Å; V130-V169 HydrophobicContact CG2-CG1 3.9Å; V130-V169 HydrophobicContact CG2-CG2 4.02Å
131	S	98.6	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	117.5	170.5	-73.9	0	0	0	0	109.8	V103 A122 I123	V103-S131 PolarHBondContact O-OG 2.86Å; A122-S131 WeakPolarHBondContact CA-O 3.43Å; I123-S131 PolarHBondContact N-O 3.08Å; I123-S131 PolarHBondContact O-N 3.25Å
132	I	98.5	Very high	95.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.5	171.3	-51.7	-55.4	0	0	0	107.9	K120 I121 A122 V130 S144 R145 I147 W160 L167 A181 V183 F203	K120-I132 HydrophobicContact CB-CG2 4.4Å; K120-I132 HydrophobicContact CD-CG2 4Å; I121-I132 CarbonylContact O-C 3.49Å; I121-I132 WeakPolarHBondContact O-CA 3.31Å; A122-I132 HydrophobicContact CB-CD1 3.69Å; V130-I132 HydrophobicContact CG1-CD1 3.76Å; I132-S144 CarbonylContact O-C 3.58Å; I132-S144 VanDerWaalsContact O-CA 3.31Å; I132-S144 WeakPolarHBondContact O-CA 3.24Å; I132-R145 PolarHBondContact N-O 2.84Å; I132-R145 PolarHBondContact O-N 2.97Å; I132-I147 HydrophobicContact CD1-CD1 4.32Å; I132-I147 HydrophobicContact CG1-CD1 4.01Å; I132-I147 HydrophobicContact CG1-CG1 4.35Å; I132-W160 HydrophobicContact CD1-CH2 4.31Å; I132-W160 HydrophobicContact CD1-CZ2 4.35Å; I132-W160 HydrophobicContact CG2-CH2 4.13Å; I132-L167 HydrophobicContact CD1-CD2 3.58Å; I132-A181 HydrophobicContact CD1-CB 4.08Å; I132-A181 HydrophobicContact CG1-CB 4.18Å; I132-V183 HydrophobicContact CG2-CG2 4.15Å; I132-F203 HydrophobicContact CB-CE2 3.87Å; I132-F203 HydrophobicContact CB-CZ 4.18Å; I132-F203 HydrophobicContact CG1-CE2 3.67Å; I132-F203 HydrophobicContact CG1-CZ 3.88Å; I132-F203 HydrophobicContact CG2-CE2 4.34Å
133	C	98.2	Very high	95.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	143.1	-175.4	-47.3	0	0	0	0	110.9	V101 K120 I121 W142 V143	V101-C133 HydrophobicContact CG1-CB 3.57Å; K120-C133 CarbonylContact C-O 3.52Å; K120-C133 VanDerWaalsContact CA-O 3.22Å; K120-C133 WeakPolarHBondContact CA-O 3.3Å; I121-C133 HydrophobicContact CB-CB 4.3Å; I121-C133 PolarHBondContact N-O 3.43Å; I121-C133 PolarHBondContact O-N 3.45Å; C133-W142 HydrophobicContact CB-CE3 4.28Å; C133-V143 CarbonylContact C-O 3.56Å; C133-V143 WeakPolarHBondContact CA-O 3.25Å; C133-V143 WeakPolarHBondContact CB-O 3.24Å
134	F	96.9	Very high	95.5	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.2	178.1	56.9	-84.6	0	0	0	110.8	K120 E136 W142 V143 R145 V183 E185 T186	K120-F134 HydrophobicContact CG-CB 4.3Å; F134-E136 HydrophobicContact CD2-CG 4.36Å; F134-E136 HydrophobicContact CE2-CG 4.01Å; F134-W142 VanDerWaalsContact C-CE3 3.41Å; F134-W142 WeakPolarHBondContact O-CA 3.16Å; F134-V143 HydrophobicContact CD1-CG2 4.14Å; F134-V143 HydrophobicContact CD2-CG2 3.63Å; F134-V143 HydrophobicContact CE1-CG2 3.82Å; F134-V143 HydrophobicContact CE2-CG2 3.27Å; F134-V143 HydrophobicContact CG-CG2 4.06Å; F134-V143 HydrophobicContact CZ-CG2 3.38Å; F134-V143 PolarHBondContact N-O 2.83Å; F134-V143 PolarHBondContact O-N 2.87Å; F134-R145 HydrophobicContact CE1-CG 4.13Å; F134-V183 HydrophobicContact CD1-CB 4.48Å; F134-V183 HydrophobicContact CD1-CG1 3.71Å; F134-V183 HydrophobicContact CD1-CG2 4.17Å; F134-V183 HydrophobicContact CD2-CG1 4.22Å; F134-V183 HydrophobicContact CE1-CB 4.46Å; F134-V183 HydrophobicContact CE1-CG1 3.45Å; F134-V183 VanDerWaalsContact CE1-CG1 3.45Å; F134-V183 HydrophobicContact CE1-CG2 4.17Å; F134-V183 HydrophobicContact CE2-CG1 3.98Å; F134-V183 HydrophobicContact CG-CG1 4.09Å; F134-V183 HydrophobicContact CZ-CG1 3.59Å; F134-E185 HydrophobicContact CE2-CB 3.95Å; F134-E185 HydrophobicContact CE2-CG 4.31Å; F134-T186 HydrophobicContact CB-CG2 3.52Å; F134-T186 HydrophobicContact CD2-CG2 3.76Å; F134-T186 HydrophobicContact CG-CG2 3.81Å
135	Y	95.2	Very high	95.4	Very high	70 Å²	70	52.3 Å²	52.3	28%	0.275	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	121.5	-176.8	-161.9	-102.1	0	0	0	111.3	K137 D140 W142	Y135-K137 HydrophobicContact CD1-CG 4.13Å; Y135-D140 PolarHBondContact OH-O 3.24Å; Y135-D140 PolarHBondContact OH-OD1 3.21Å; Y135-W142 AromaticContact CD2-CD1 3.68Å; Y135-W142 AromaticContact CD2-CD2 3.93Å; Y135-W142 HydrophobicContact CD2-CD2 3.93Å; Y135-W142 AromaticContact CD2-CE2 3.65Å; Y135-W142 AromaticContact CD2-CG 3.92Å; Y135-W142 HydrophobicContact CD2-CG 3.92Å; Y135-W142 HydrophobicContact CD2-CZ2 4.21Å; Y135-W142 AromaticContact CD2-NE1 3.5Å; Y135-W142 AromaticContact CE2-CD1 3.97Å; Y135-W142 AromaticContact CE2-NE1 3.89Å
136	E	92.5	Very high	95.4	Very high	57 Å²	57	54.5 Å²	54.5	27%	0.266	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	102.9	171.2	-79.7	-177.4	-177.7	0	0	109.5	F134 E138 N139 D140 W141 V143	F134-E136 HydrophobicContact CD2-CG 4.36Å; F134-E136 HydrophobicContact CE2-CG 4.01Å; E136-E138 PolarHBondContact O-N 2.72Å; E136-N139 HydrophobicContact CB-CB 4.48Å; E136-N139 PolarHBondContact O-N 3.2Å; E136-N139 PolarHBondContact OE2-ND2 2.84Å; E136-D140 PolarHBondContact O-N 2.98Å; E136-W141 PolarHBondContact N-O 3.42Å; E136-V143 HydrophobicContact CG-CG1 4.18Å; E136-V143 HydrophobicContact CG-CG2 3.79Å
137	K	89.5	Confident	95.4	Very high	187 Å²	187	54.2 Å²	54.2	81%	0.813	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.6	-178.4	-67.8	-174.4	179.1	-176.9	0	113.6	Y135 N139	Y135-K137 HydrophobicContact CD1-CG 4.13Å; K137-N139 VanDerWaalsContact C-N 3.3Å; K137-N139 PolarHBondContact O-N 3.2Å
138	E	90.3	Very high	95.3	Very high	190 Å²	190	58.6 Å²	58.6	89%	0.888	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-33.8	-178.8	-64.6	179.2	-177.8	0	0	112.1	E136	E136-E138 PolarHBondContact O-N 2.72Å
139	N	88.6	Confident	95.2	Very high	95 Å²	95	62.2 Å²	62.2	51%	0.508	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-7.8	-177.2	-62.2	-45.4	0	0	0	112.8	E136 K137 W141	E136-N139 HydrophobicContact CB-CB 4.48Å; E136-N139 PolarHBondContact O-N 3.2Å; E136-N139 PolarHBondContact OE2-ND2 2.84Å; K137-N139 VanDerWaalsContact C-N 3.3Å; K137-N139 PolarHBondContact O-N 3.2Å; N139-W141 HydrophobicContact CB-CG 4.49Å; N139-W141 PolarHBondContact O-N 3.02Å
140	D	90.6	Very high	95.1	Very high	121 Å²	121	63.3 Å²	63.3	65%	0.647	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	38	-179.8	-151.9	44.4	0	0	0	114.7	Y135 E136	Y135-D140 PolarHBondContact OH-O 3.24Å; Y135-D140 PolarHBondContact OH-OD1 3.21Å; E136-D140 PolarHBondContact O-N 2.98Å
141	W	91.5	Very high	95.1	Very high	113 Å²	113	63.9 Å²	63.9	43%	0.428	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	161.5	176.4	68.8	-62.3	0	0	0	113.2	V102 E136 N139 V143	V102-W141 HydrophobicContact CB-CE3 4.1Å; V102-W141 HydrophobicContact CB-CZ3 3.85Å; V102-W141 HydrophobicContact CG1-CZ3 4.06Å; V102-W141 HydrophobicContact CG2-CE3 3.61Å; V102-W141 HydrophobicContact CG2-CZ3 3.73Å; E136-W141 PolarHBondContact N-O 3.42Å; N139-W141 HydrophobicContact CB-CG 4.49Å; N139-W141 PolarHBondContact O-N 3.02Å; W141-V143 HydrophobicContact CD2-CG1 3.76Å; W141-V143 VanDerWaalsContact CE2-CG1 3.46Å; W141-V143 HydrophobicContact CE3-CG1 3.91Å; W141-V143 HydrophobicContact CH2-CG1 3.63Å; W141-V143 HydrophobicContact CZ2-CG1 3.42Å; W141-V143 VanDerWaalsContact CZ2-CG1 3.42Å; W141-V143 HydrophobicContact CZ3-CG1 3.85Å
142	W	95.1	Very high	95.1	Very high	4 Å²	4	72.9 Å²	72.9	2%	0.015	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	118.9	173.7	-74.2	93.3	0	0	0	111.2	V88 V101 V102 W114 I121 C133 F134 Y135	V88-W142 HydrophobicContact CB-CZ2 4.37Å; V88-W142 HydrophobicContact CG1-CZ2 4.23Å; V88-W142 HydrophobicContact CG2-CD2 4.48Å; V88-W142 HydrophobicContact CG2-CH2 4.42Å; V88-W142 HydrophobicContact CG2-CZ2 3.78Å; V101-W142 HydrophobicContact CB-CB 4.24Å; V101-W142 HydrophobicContact CB-CG 4.46Å; V101-W142 HydrophobicContact CG1-CB 3.94Å; V101-W142 HydrophobicContact CG1-CG 4.33Å; V101-W142 HydrophobicContact CG2-CB 4.32Å; V101-W142 HydrophobicContact CG2-CD2 4.27Å; V101-W142 HydrophobicContact CG2-CG 4.01Å; V102-W142 WeakPolarHBondContact CB-O 3.19Å; V102-W142 PolarHBondContact N-O 2.9Å; W114-W142 AromaticContact CH2-CH2 3.53Å; W114-W142 HydrophobicContact CH2-CH2 3.53Å; W114-W142 AromaticContact CH2-CZ2 3.86Å; W114-W142 HydrophobicContact CH2-CZ2 3.86Å; W114-W142 HydrophobicContact CH2-CZ3 4.5Å; W114-W142 AromaticContact CZ3-CH2 3.63Å; W114-W142 HydrophobicContact CZ3-CH2 3.63Å; W114-W142 HydrophobicContact CZ3-CZ2 4.41Å; W114-W142 HydrophobicContact CZ3-CZ3 4.37Å; I121-W142 HydrophobicContact CD1-CD2 4.44Å; I121-W142 HydrophobicContact CD1-CE3 3.9Å; I121-W142 HydrophobicContact CD1-CH2 3.65Å; I121-W142 HydrophobicContact CD1-CZ2 4.19Å; I121-W142 HydrophobicContact CD1-CZ3 3.46Å; I121-W142 VanDerWaalsContact CD1-CZ3 3.46Å; I121-W142 HydrophobicContact CG1-CH2 4.18Å; I121-W142 HydrophobicContact CG1-CZ3 3.91Å; C133-W142 HydrophobicContact CB-CE3 4.28Å; F134-W142 VanDerWaalsContact C-CE3 3.41Å; F134-W142 WeakPolarHBondContact O-CA 3.16Å; Y135-W142 AromaticContact CD2-CD1 3.68Å; Y135-W142 AromaticContact CD2-CD2 3.93Å; Y135-W142 HydrophobicContact CD2-CD2 3.93Å; Y135-W142 AromaticContact CD2-CE2 3.65Å; Y135-W142 AromaticContact CD2-CG 3.92Å; Y135-W142 HydrophobicContact CD2-CG 3.92Å; Y135-W142 HydrophobicContact CD2-CZ2 4.21Å; Y135-W142 AromaticContact CD2-NE1 3.5Å; Y135-W142 AromaticContact CE2-CD1 3.97Å; Y135-W142 AromaticContact CE2-NE1 3.89Å
143	V	94.9	Very high	95	Very high	13 Å²	13	74.5 Å²	74.5	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	166.9	172.2	-58.3	0	0	0	0	110.7	C133 F134 E136 W141	C133-V143 CarbonylContact C-O 3.56Å; C133-V143 WeakPolarHBondContact CA-O 3.25Å; C133-V143 WeakPolarHBondContact CB-O 3.24Å; F134-V143 HydrophobicContact CD1-CG2 4.14Å; F134-V143 HydrophobicContact CD2-CG2 3.63Å; F134-V143 HydrophobicContact CE1-CG2 3.82Å; F134-V143 HydrophobicContact CE2-CG2 3.27Å; F134-V143 HydrophobicContact CG-CG2 4.06Å; F134-V143 HydrophobicContact CZ-CG2 3.38Å; F134-V143 PolarHBondContact N-O 2.83Å; F134-V143 PolarHBondContact O-N 2.87Å; E136-V143 HydrophobicContact CG-CG1 4.18Å; E136-V143 HydrophobicContact CG-CG2 3.79Å; W141-V143 HydrophobicContact CD2-CG1 3.76Å; W141-V143 VanDerWaalsContact CE2-CG1 3.46Å; W141-V143 HydrophobicContact CE3-CG1 3.91Å; W141-V143 HydrophobicContact CH2-CG1 3.63Å; W141-V143 HydrophobicContact CZ2-CG1 3.42Å; W141-V143 VanDerWaalsContact CZ2-CG1 3.42Å; W141-V143 HydrophobicContact CZ3-CG1 3.85Å
144	S	96.1	Very high	95.1	Very high	5 Å²	5	76.2 Å²	76.2	4%	0.035	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.8	179.2	56.4	0	0	0	0	113.5	V102 R104 I132	V102-S144 WeakPolarHBondContact O-CB 3.31Å; V102-S144 PolarHBondContact O-OG 2.94Å; R104-S144 PolarHBondContact NE-OG 2.91Å; R104-S144 PolarHBondContact NH2-O 2.84Å; R104-S144 PolarHBondContact NH2-OG 3.06Å; I132-S144 CarbonylContact O-C 3.58Å; I132-S144 VanDerWaalsContact O-CA 3.31Å; I132-S144 WeakPolarHBondContact O-CA 3.24Å
145	R	96.8	Very high	95.1	Very high	88 Å²	88	76 Å²	76	33%	0.332	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.3	161.7	-71.1	-177.4	177.3	-176.4	1.8	109.1	I132 F134 E185 F203	I132-R145 PolarHBondContact N-O 2.84Å; I132-R145 PolarHBondContact O-N 2.97Å; F134-R145 HydrophobicContact CE1-CG 4.13Å; R145-E185 IonicContact CZ-OE1 3.38Å; R145-E185 IonicContact CZ-OE2 2.74Å; R145-E185 IonicContact NH1-OE1 3.11Å; R145-E185 IonicContact NH1-OE2 2.65Å; R145-E185 PolarHBondContact NH1-OE2 3.08Å; R145-E185 IonicContact NH2-OE1 2.81Å; R145-E185 PolarHBondContact NH2-OE1 3.42Å; R145-E185 IonicContact NH2-OE2 3.92Å; R145-E185 PolarHBondContact NH2-OE2 2.96Å; R145-E185 VanDerWaalsContact NH2-OE2 3.11Å; R145-F203 HydrophobicContact CB-CD1 4.45Å; R145-F203 HydrophobicContact CB-CE1 3.74Å; R145-F203 HydrophobicContact CB-CE2 3.89Å; R145-F203 HydrophobicContact CB-CZ 3.41Å; R145-F203 VanDerWaalsContact CB-CZ 3.41Å
146	Q	98.1	Very high	95.3	Very high	46 Å²	46	73.5 Å²	73.5	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.1	-171.8	-67.2	-178.1	-23.2	0	0	112	V103 R104 L129 V130 K148	V103-Q146 PolarHBondContact O-NE2 2.86Å; R104-Q146 PolarHBondContact O-NE2 2.89Å; L129-Q146 HydrophobicContact CD1-CG 4.25Å; V130-Q146 CarbonylContact O-C 3.58Å; V130-Q146 WeakPolarHBondContact O-CA 3.29Å; Q146-K148 HydrophobicContact CB-CG 4.2Å
147	I	98.4	Very high	95.6	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.9	167.8	-56.2	177	0	0	0	107.3	L129 V130 I132 Y179 F203	L129-I147 CarbonylContact C-O 3.54Å; L129-I147 VanDerWaalsContact CA-O 3.24Å; L129-I147 WeakPolarHBondContact CA-O 3.46Å; L129-I147 WeakPolarHBondContact CB-O 3.48Å; V130-I147 HydrophobicContact CB-CB 4.37Å; V130-I147 PolarHBondContact N-O 3.11Å; V130-I147 PolarHBondContact O-N 2.74Å; I132-I147 HydrophobicContact CD1-CD1 4.32Å; I132-I147 HydrophobicContact CG1-CD1 4.01Å; I132-I147 HydrophobicContact CG1-CG1 4.35Å; I147-Y179 HydrophobicContact CD1-CG 4.32Å; I147-Y179 HydrophobicContact CG2-CD1 3.5Å; I147-Y179 VanDerWaalsContact CG2-CD1 3.5Å; I147-Y179 HydrophobicContact CG2-CD2 4.31Å; I147-Y179 HydrophobicContact CG2-CE1 3.42Å; I147-Y179 VanDerWaalsContact CG2-CE1 3.42Å; I147-Y179 HydrophobicContact CG2-CE2 4.26Å; I147-Y179 HydrophobicContact CG2-CG 3.92Å; I147-F203 HydrophobicContact CD1-CE2 4.39Å; I147-F203 HydrophobicContact CD1-CZ 4.16Å; I147-F203 HydrophobicContact CG1-CE1 3.75Å; I147-F203 HydrophobicContact CG1-CE2 4.19Å; I147-F203 HydrophobicContact CG1-CZ 3.48Å; I147-F203 VanDerWaalsContact CG1-CZ 3.48Å
148	K	97	Very high	96	Very high	116 Å²	116	62.6 Å²	62.6	50%	0.504	29%	0.293	S	S	.	.			trans	-107.5	-55.3	-174.5	-62.5	-177	-179.8	179.7	0	113.4	L129 Q146 I151	L129-K148 HydrophobicContact CB-CG 3.96Å; L129-K148 HydrophobicContact CD2-CG 4.24Å; Q146-K148 HydrophobicContact CB-CG 4.2Å; K148-I151 WeakPolarHBondContact O-CB 3.33Å; K148-I151 PolarHBondContact O-N 3.1Å; K148-I151 VanDerWaalsContact O-N 3.09Å
149	K	95.6	Very high	96.4	Very high	181 Å²	181	54.5 Å²	54.5	79%	0.787	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	140.5	-173.3	-65.6	-176.1	179.9	-180	0	110.8	Y179	K149-Y179 PolarHBondContact O-OH 3.08Å
150	P	97.1	Very high	96.9	Very high	37 Å²	37	50.7 Å²	50.7	24%	0.24	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	cis	-102.1	28.3	2.9	30.5	-9.7	0	0	0	111.9	R152 R177 Y179 I206	P150-R152 WeakPolarHBondContact O-CG 3.46Å; P150-R152 PolarHBondContact O-N 3.01Å; P150-R177 PolarHBondContact O-NH2 3.27Å; P150-Y179 WeakPolarHBondContact CD-OH 3.32Å; P150-I206 VanDerWaalsContact CD-CD1 3.44Å; P150-I206 HydrophobicContact CG-CD1 3.58Å
151	I	98.3	Very high	97.2	Very high	12 Å²	12	45.2 Å²	45.2	6%	0.062	20%	0.204	C	C	.	.			trans	-59.7	120.3	-176.8	-56.6	174	0	0	0	109.2	K128 V130 K148 S153 V155 V169 Y179	K128-I151 HydrophobicContact CB-CG2 4.3Å; K128-I151 WeakPolarHBondContact O-CB 3.44Å; V130-I151 HydrophobicContact CG2-CD1 4.04Å; K148-I151 WeakPolarHBondContact O-CB 3.33Å; K148-I151 PolarHBondContact O-N 3.1Å; K148-I151 VanDerWaalsContact O-N 3.09Å; I151-S153 VanDerWaalsContact CG2-O 3.29Å; I151-S153 WeakPolarHBondContact CG2-O 3.36Å; I151-V155 HydrophobicContact CD1-CG2 4.14Å; I151-V155 HydrophobicContact CG2-CG2 3.94Å; I151-V169 HydrophobicContact CD1-CG1 4.24Å; I151-Y179 HydrophobicContact CD1-CE2 4.32Å; I151-Y179 HydrophobicContact CG1-CE2 4.44Å; I151-Y179 WeakPolarHBondContact CG1-OH 3.49Å
152	R	97.4	Very high	97.5	Very high	188 Å²	188	42.7 Å²	42.7	71%	0.709	20%	0.202	S	C	*	.			trans	-107.6	-9.5	-173	-53.5	-163.1	-179.6	-174.5	-0.8	114.7	K128 P150 D173	K128-R152 VanDerWaalsContact CD-O 3.27Å; K128-R152 WeakPolarHBondContact CD-O 3.32Å; K128-R152 VanDerWaalsContact CE-O 3.3Å; K128-R152 WeakPolarHBondContact CE-O 3.4Å; K128-R152 PolarHBondContact NZ-O 2.78Å; P150-R152 WeakPolarHBondContact O-CG 3.46Å; P150-R152 PolarHBondContact O-N 3.01Å; R152-D173 HydrophobicContact CB-CB 3.99Å; R152-D173 PolarHBondContact N-OD2 3.46Å
153	S	97.9	Very high	97.4	Very high	34 Å²	34	44.1 Å²	44.1	24%	0.238	21%	0.211	C	C	.	.	S	Bend	trans	-142.5	-179.3	-178.1	-158.8	0	0	0	0	110.9	K128 I151 V155 D173	K128-S153 WeakPolarHBondContact CA-O 3.27Å; I151-S153 VanDerWaalsContact CG2-O 3.29Å; I151-S153 WeakPolarHBondContact CG2-O 3.36Å; S153-V155 PolarHBondContact O-N 3.25Å; S153-D173 VanDerWaalsContact CB-N 3.35Å
154	T	98.5	Very high	97.5	Very high	36 Å²	36	43.6 Å²	43.6	22%	0.221	21%	0.207	C	C	.	.			trans	-52.6	132.3	176.4	-60.2	0	0	0	0	111.2	T110 S171 Y172	T110-T154 HydrophobicContact CG2-CG2 3.69Å; T154-S171 VanDerWaalsContact O-CA 3.31Å; T154-S171 WeakPolarHBondContact O-CA 3.31Å; T154-S171 VanDerWaalsContact O-CB 3.3Å; T154-S171 WeakPolarHBondContact O-CB 3.33Å; T154-Y172 HydrophobicContact CG2-CD2 4.03Å; T154-Y172 HydrophobicContact CG2-CE2 4.08Å; T154-Y172 PolarHBondContact O-N 3.44Å
155	V	98.8	Very high	97.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	126	167.9	176.7	0	0	0	0	107.8	T110 S125 V130 I151 S153 L158 V169	T110-V155 WeakPolarHBondContact CB-O 3.27Å; T110-V155 PolarHBondContact OG1-O 2.81Å; S125-V155 PolarHBondContact O-N 2.84Å; V130-V155 HydrophobicContact CG2-CG1 4.16Å; V130-V155 HydrophobicContact CG2-CG2 3.89Å; I151-V155 HydrophobicContact CD1-CG2 4.14Å; I151-V155 HydrophobicContact CG2-CG2 3.94Å; S153-V155 PolarHBondContact O-N 3.25Å; V155-L158 HydrophobicContact CG1-CD2 3.91Å; V155-L158 HydrophobicContact CG1-CG 4.17Å; V155-V169 HydrophobicContact CG1-CG1 3.79Å; V155-V169 HydrophobicContact CG2-CG1 4.1Å
156	S	98.1	Very high	97.5	Very high	17 Å²	17	40.2 Å²	40.2	12%	0.119	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-33.2	-175.4	53.1	0	0	0	0	112.6	G170 I217	S156-G170 PolarHBondContact N-O 3.41Å; S156-G170 PolarHBondContact OG-O 2.8Å; S156-G170 VanDerWaalsContact OG-O 3.11Å; S156-I217 VanDerWaalsContact CB-O 3.26Å; S156-I217 WeakPolarHBondContact CB-O 3.13Å; S156-I217 PolarHBondContact OG-O 2.95Å
157	S	98.5	Very high	97.5	Very high	10 Å²	10	38 Å²	38	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150.7	-175.9	50	0	0	0	0	112.1	G170 H218 C219 I220	S157-G170 PolarHBondContact N-O 3.06Å; S157-G170 PolarHBondContact O-N 3.16Å; S157-H218 WeakPolarHBondContact CB-O 3.33Å; S157-H218 PolarHBondContact OG-O 2.94Å; S157-C219 WeakPolarHBondContact OG-CA 3.22Å; S157-I220 WeakPolarHBondContact OG-CG2 3.41Å; S157-I220 PolarHBondContact OG-N 3.03Å
158	L	98.9	Very high	97.5	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	142.4	-178.2	-67.8	175.6	0	0	0	109	K113 A122 G124 V130 V155 L167 A168 V169	K113-L158 HydrophobicContact CG-CB 4.48Å; A122-L158 HydrophobicContact CB-CD1 3.87Å; G124-L158 VanDerWaalsContact N-CD1 3.31Å; V130-L158 HydrophobicContact CG1-CD1 4.17Å; V130-L158 HydrophobicContact CG1-CD2 4.12Å; V130-L158 HydrophobicContact CG2-CD2 3.91Å; V155-L158 HydrophobicContact CG1-CD2 3.91Å; V155-L158 HydrophobicContact CG1-CG 4.17Å; L158-L167 HydrophobicContact CB-CD1 4.43Å; L158-L167 HydrophobicContact CD2-CD1 4.46Å; L158-L167 HydrophobicContact CD2-CD2 4.08Å; L158-L167 HydrophobicContact CD2-CG 4.32Å; L158-A168 WeakPolarHBondContact CA-O 3.33Å; L158-V169 HydrophobicContact CD2-CB 4.22Å; L158-V169 HydrophobicContact CD2-CG1 4.12Å; L158-V169 HydrophobicContact CD2-CG2 3.72Å
159	D	98.8	Very high	97.6	Very high	19 Å²	19	32.4 Å²	32.4	10%	0.102	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	129.9	170.4	-163.1	59.2	0	0	0	110.4	A168 I220 R221 F222	D159-A168 HydrophobicContact CB-CB 4.46Å; D159-A168 PolarHBondContact N-O 3.01Å; D159-A168 VanDerWaalsContact N-O 3.14Å; D159-A168 WeakPolarHBondContact O-CB 3.31Å; D159-A168 PolarHBondContact O-N 3.02Å; D159-I220 WeakPolarHBondContact CB-O 3.38Å; D159-R221 VanDerWaalsContact CG-CD 3.42Å; D159-R221 VanDerWaalsContact OD1-CD 3.29Å; D159-R221 WeakPolarHBondContact OD1-CD 3.36Å; D159-R221 IonicContact OD1-CZ 3.62Å; D159-R221 IonicContact OD1-NE 3.38Å; D159-R221 IonicContact OD1-NH1 3.33Å; D159-R221 PolarHBondContact OD1-NH1 3.18Å; D159-R221 WeakPolarHBondContact OD2-CA 3.32Å; D159-F222 PolarHBondContact OD2-N 3.34Å
160	W	98.6	Very high	97.8	Very high	15 Å²	15	23.8 Å²	23.8	6%	0.057	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	138.2	-178.7	-74.8	93.7	0	0	0	110.5	K113 W114 P116 K120 A122 I132 L167 A181	K113-W160 PolarHBondContact O-NE1 3.29Å; K113-W160 VanDerWaalsContact O-NE1 3.08Å; W114-W160 PolarHBondContact O-NE1 2.84Å; P116-W160 HydrophobicContact CG-CB 4.08Å; K120-W160 HydrophobicContact CB-CH2 3.97Å; K120-W160 HydrophobicContact CB-CZ2 4.1Å; K120-W160 HydrophobicContact CD-CH2 4.21Å; K120-W160 VanDerWaalsContact CE-CH2 3.45Å; A122-W160 HydrophobicContact CB-CZ2 3.59Å; I132-W160 HydrophobicContact CD1-CH2 4.31Å; I132-W160 HydrophobicContact CD1-CZ2 4.35Å; I132-W160 HydrophobicContact CG2-CH2 4.13Å; W160-L167 HydrophobicContact CD2-CD1 3.77Å; W160-L167 HydrophobicContact CE3-CB 4.49Å; W160-L167 HydrophobicContact CE3-CD1 4.29Å; W160-L167 HydrophobicContact CG-CD1 3.88Å; W160-A181 HydrophobicContact CH2-CB 3.66Å; W160-A181 HydrophobicContact CZ3-CB 3.52Å
161	H	98	Very high	97.8	Very high	6 Å²	6	22 Å²	22	3%	0.028	11%	0.111	C	C	.	.			trans	-68.4	144.3	167.2	-175.6	-80.7	0	0	0	109.6	N163 N164 L166 W196 F222 G226	H161-N163 WeakPolarHBondContact ND1-CB 3.01Å; H161-N163 PolarHBondContact ND1-N 3Å; H161-N163 VanDerWaalsContact ND1-N 3.12Å; H161-N163 PolarHBondContact ND1-ND2 3.48Å; H161-N163 PolarHBondContact ND1-OD1 2.8Å; H161-N163 PolarHBondContact O-N 2.76Å; H161-N164 PolarHBondContact O-N 3.08Å; H161-L166 HydrophobicContact CB-CB 3.63Å; H161-L166 HydrophobicContact CB-CG 4.46Å; H161-L166 WeakPolarHBondContact CB-O 3.03Å; H161-L166 PolarHBondContact N-O 2.84Å; H161-W196 AromaticContact CD2-CD1 3.86Å; H161-W196 AromaticContact NE2-CD1 3.8Å; H161-F222 HydrophobicContact CB-CD2 3.89Å; H161-F222 HydrophobicContact CB-CE2 3.64Å; H161-F222 HydrophobicContact CB-CG 4.41Å; H161-F222 HydrophobicContact CB-CZ 4.02Å; H161-F222 AromaticContact CD2-CD1 3.98Å; H161-F222 AromaticContact CD2-CE1 3.84Å; H161-G226 PolarHBondContact CD2-O 3.06Å; H161-G226 VanDerWaalsContact CD2-O 3.31Å; H161-G226 WeakPolarHBondContact NE2-CA 3.47Å; H161-G226 PolarHBondContact NE2-O 2.79Å
162	P	95.9	Very high	97.8	Very high	60 Å²	60	25.2 Å²	25.2	39%	0.39	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.1	-176.6	20.4	-35.3	0	0	0	114.5	N164	P162-N164 PolarHBondContact O-N 3Å; P162-N164 VanDerWaalsContact O-N 3.17Å
163	N	94.7	Very high	97.8	Very high	35 Å²	35	17.3 Å²	17.3	19%	0.187	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-2.5	174.9	76.3	-0.5	0	0	0	115.1	H161 L165 L166 S192	H161-N163 WeakPolarHBondContact ND1-CB 3.01Å; H161-N163 PolarHBondContact ND1-N 3Å; H161-N163 VanDerWaalsContact ND1-N 3.12Å; H161-N163 PolarHBondContact ND1-ND2 3.48Å; H161-N163 PolarHBondContact ND1-OD1 2.8Å; H161-N163 PolarHBondContact O-N 2.76Å; N163-L165 PolarHBondContact O-N 3.25Å; N163-L165 VanDerWaalsContact O-N 3.12Å; N163-L165 PolarHBondContact OD1-N 3.44Å; N163-L166 PolarHBondContact OD1-N 2.9Å; N163-S192 WeakPolarHBondContact CB-OG 3.41Å; N163-S192 WeakPolarHBondContact ND2-CB 3.2Å; N163-S192 PolarHBondContact ND2-OG 3.09Å
164	N	96	Very high	97.7	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.011	10%	0.1	C	C	.	.	S	Bend	trans	65.8	8.2	178.7	-162.5	77.1	0	0	0	115.1	S115 P116 L117 N119 K120 H161 P162 D187	S115-N164 WeakPolarHBondContact CB-OD1 3.18Å; S115-N164 PolarHBondContact OG-OD1 2.8Å; P116-N164 VanDerWaalsContact CD-OD1 3.32Å; P116-N164 WeakPolarHBondContact CD-OD1 3.19Å; L117-N164 HydrophobicContact CD1-CB 3.96Å; L117-N164 HydrophobicContact CG-CB 3.86Å; L117-N164 PolarHBondContact N-OD1 3.13Å; N119-N164 PolarHBondContact OD1-ND2 3.11Å; N119-N164 PolarHBondContact OD1-OD1 2.65Å; K120-N164 WeakPolarHBondContact CE-O 3.37Å; K120-N164 PolarHBondContact NZ-ND2 2.56Å; K120-N164 PolarHBondContact NZ-O 2.69Å; H161-N164 PolarHBondContact O-N 3.08Å; P162-N164 PolarHBondContact O-N 3Å; P162-N164 VanDerWaalsContact O-N 3.17Å; N164-D187 PolarHBondContact ND2-OD1 3.11Å
165	L	96.2	Very high	97.7	Very high	17 Å²	17	21.7 Å²	21.7	9%	0.089	11%	0.105	C	C	.	.	S	Bend	trans	-112.7	-32.3	-176.7	-61.6	-175.3	0	0	0	113.1	N163 A181 Y182 D187	N163-L165 PolarHBondContact O-N 3.25Å; N163-L165 VanDerWaalsContact O-N 3.12Å; N163-L165 PolarHBondContact OD1-N 3.44Å; L165-A181 CarbonylContact O-C 3.56Å; L165-A181 WeakPolarHBondContact O-CA 3.19Å; L165-A181 PolarHBondContact O-N 3.28Å; L165-Y182 HydrophobicContact CD2-CD2 4.01Å; L165-Y182 PolarHBondContact O-N 3.19Å; L165-D187 HydrophobicContact CD2-CB 3.91Å
166	L	97.1	Very high	97.7	Very high	5 Å²	5	21.7 Å²	21.7	3%	0.026	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	150.3	-179	-47.8	179.9	0	0	0	111.2	H161 N163 V178 Y179 C194 W196 L207	H161-L166 HydrophobicContact CB-CB 3.63Å; H161-L166 HydrophobicContact CB-CG 4.46Å; H161-L166 WeakPolarHBondContact CB-O 3.03Å; H161-L166 PolarHBondContact N-O 2.84Å; N163-L166 PolarHBondContact OD1-N 2.9Å; L166-V178 HydrophobicContact CB-CG1 4.17Å; L166-V178 HydrophobicContact CD1-CG1 4.4Å; L166-Y179 CarbonylContact C-O 3.5Å; L166-Y179 VanDerWaalsContact CA-O 3.29Å; L166-Y179 WeakPolarHBondContact CA-O 3.1Å; L166-C194 VanDerWaalsContact CD1-SG 3.57Å; L166-W196 HydrophobicContact CD1-CB 3.58Å; L166-W196 HydrophobicContact CD1-CG 4.03Å; L166-L207 HydrophobicContact CD1-CD2 4.26Å; L166-L207 HydrophobicContact CD2-CD1 3.92Å; L166-L207 HydrophobicContact CD2-CD2 3.81Å
167	L	98.5	Very high	97.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125	-179.4	-177.8	70.4	0	0	0	109.9	A122 V130 I132 L158 W160 V169 V178 Y179 A181	A122-L167 HydrophobicContact CB-CD1 3.91Å; A122-L167 HydrophobicContact CB-CD2 3.7Å; V130-L167 HydrophobicContact CG1-CD2 3.84Å; I132-L167 HydrophobicContact CD1-CD2 3.58Å; L158-L167 HydrophobicContact CB-CD1 4.43Å; L158-L167 HydrophobicContact CD2-CD1 4.46Å; L158-L167 HydrophobicContact CD2-CD2 4.08Å; L158-L167 HydrophobicContact CD2-CG 4.32Å; W160-L167 HydrophobicContact CD2-CD1 3.77Å; W160-L167 HydrophobicContact CE3-CB 4.49Å; W160-L167 HydrophobicContact CE3-CD1 4.29Å; W160-L167 HydrophobicContact CG-CD1 3.88Å; L167-V169 HydrophobicContact CD2-CG2 4.17Å; L167-V169 HydrophobicContact CG-CG2 4.14Å; L167-V178 WeakPolarHBondContact O-CA 3.43Å; L167-Y179 PolarHBondContact N-O 3.26Å; L167-Y179 PolarHBondContact O-N 2.97Å; L167-A181 HydrophobicContact CB-CB 4Å
168	A	98.7	Very high	97.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.1	168.7	0	0	0	0	0	110	L158 D159 R177 I220 F222 L229	L158-A168 WeakPolarHBondContact CA-O 3.33Å; D159-A168 HydrophobicContact CB-CB 4.46Å; D159-A168 PolarHBondContact N-O 3.01Å; D159-A168 VanDerWaalsContact N-O 3.14Å; D159-A168 WeakPolarHBondContact O-CB 3.31Å; D159-A168 PolarHBondContact O-N 3.02Å; A168-R177 CarbonylContact C-O 3.52Å; A168-R177 WeakPolarHBondContact CA-O 3.5Å; A168-I220 HydrophobicContact CB-CD1 3.88Å; A168-I220 HydrophobicContact CB-CG1 3.94Å; A168-I220 HydrophobicContact CB-CG2 4.22Å; A168-F222 HydrophobicContact CB-CD2 3.91Å; A168-F222 HydrophobicContact CB-CE2 3.47Å; A168-F222 VanDerWaalsContact CB-CE2 3.47Å; A168-F222 HydrophobicContact CB-CZ 3.99Å; A168-L229 HydrophobicContact CB-CD1 3.55Å
169	V	98.8	Very high	97.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.1	-176.7	-176.3	0	0	0	0	108.9	V130 I151 V155 L158 L167 R177 Y179	V130-V169 HydrophobicContact CG2-CG1 3.9Å; V130-V169 HydrophobicContact CG2-CG2 4.02Å; I151-V169 HydrophobicContact CD1-CG1 4.24Å; V155-V169 HydrophobicContact CG1-CG1 3.79Å; V155-V169 HydrophobicContact CG2-CG1 4.1Å; L158-V169 HydrophobicContact CD2-CB 4.22Å; L158-V169 HydrophobicContact CD2-CG1 4.12Å; L158-V169 HydrophobicContact CD2-CG2 3.72Å; L167-V169 HydrophobicContact CD2-CG2 4.17Å; L167-V169 HydrophobicContact CG-CG2 4.14Å; V169-R177 PolarHBondContact N-O 3.38Å; V169-R177 PolarHBondContact O-N 3.11Å; V169-Y179 HydrophobicContact CB-CD2 4.16Å; V169-Y179 HydrophobicContact CB-CE2 4.15Å; V169-Y179 HydrophobicContact CG2-CD2 3.6Å; V169-Y179 HydrophobicContact CG2-CE2 4.01Å
170	G	98.5	Very high	97.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	137.6	168.9	0	0	0	0	0	110.2	S156 S157	S156-G170 PolarHBondContact N-O 3.41Å; S156-G170 PolarHBondContact OG-O 2.8Å; S156-G170 VanDerWaalsContact OG-O 3.11Å; S157-G170 PolarHBondContact N-O 3.06Å; S157-G170 PolarHBondContact O-N 3.16Å
171	S	98.2	Very high	97.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.7	179.5	43.2	0	0	0	0	114.2	T154 D173 F174 R175 R177	T154-S171 VanDerWaalsContact O-CA 3.31Å; T154-S171 WeakPolarHBondContact O-CA 3.31Å; T154-S171 VanDerWaalsContact O-CB 3.3Å; T154-S171 WeakPolarHBondContact O-CB 3.33Å; S171-D173 WeakPolarHBondContact CB-OD1 3.21Å; S171-D173 PolarHBondContact O-N 2.83Å; S171-D173 VanDerWaalsContact O-N 3.11Å; S171-D173 PolarHBondContact OG-OD1 3.48Å; S171-F174 PolarHBondContact O-N 3.04Å; S171-R175 PolarHBondContact N-O 3.2Å; S171-R175 PolarHBondContact OG-O 2.92Å; S171-R177 PolarHBondContact OG-NH1 3.45Å
172	Y	97.8	Very high	97.3	Very high	79 Å²	79	21.3 Å²	21.3	31%	0.31	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	12.8	177	-62.6	-20.2	0	0	0	113.8	T154 F174 W216 I217	T154-Y172 HydrophobicContact CG2-CD2 4.03Å; T154-Y172 HydrophobicContact CG2-CE2 4.08Å; T154-Y172 PolarHBondContact O-N 3.44Å; Y172-F174 VanDerWaalsContact C-N 3.26Å; Y172-W216 HydrophobicContact CD1-CB 3.64Å; Y172-W216 AromaticContact CD1-CG 3.95Å; Y172-W216 HydrophobicContact CD1-CG 3.95Å; Y172-W216 HydrophobicContact CE1-CB 4.07Å; Y172-W216 HydrophobicContact CG-CB 4.4Å; Y172-W216 HydrophobicContact CG-CG 4.23Å; Y172-I217 WeakPolarHBondContact CE1-O 3.28Å
173	D	96.9	Very high	97.2	Very high	23 Å²	23	18.4 Å²	18.4	12%	0.123	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	14.6	165	66.1	-6.2	0	0	0	111.5	R152 S153 S171 R175 R177	R152-D173 HydrophobicContact CB-CB 3.99Å; R152-D173 PolarHBondContact N-OD2 3.46Å; S153-D173 VanDerWaalsContact CB-N 3.35Å; S171-D173 WeakPolarHBondContact CB-OD1 3.21Å; S171-D173 PolarHBondContact O-N 2.83Å; S171-D173 VanDerWaalsContact O-N 3.11Å; S171-D173 PolarHBondContact OG-OD1 3.48Å; D173-R175 VanDerWaalsContact C-N 3.32Å; D173-R175 WeakPolarHBondContact OD1-CB 3.14Å; D173-R175 PolarHBondContact OD1-N 2.95Å; D173-R177 IonicContact OD1-NH1 3.85Å; D173-R177 PolarHBondContact OD1-NH1 3.4Å; D173-R177 IonicContact OD2-CZ 3.6Å; D173-R177 IonicContact OD2-NH1 3.98Å; D173-R177 PolarHBondContact OD2-NH1 2.88Å; D173-R177 IonicContact OD2-NH2 3.08Å; D173-R177 PolarHBondContact OD2-NH2 3.29Å
174	F	97.4	Very high	97.1	Very high	75 Å²	75	23.5 Å²	23.5	33%	0.329	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	27.5	179.3	-37.3	-56.4	0	0	0	113.5	S171 Y172 S211 S212 G215 W216	S171-F174 PolarHBondContact O-N 3.04Å; Y172-F174 VanDerWaalsContact C-N 3.26Å; F174-S211 WeakPolarHBondContact O-CA 3.44Å; F174-S212 WeakPolarHBondContact CA-OG 3.32Å; F174-S212 PolarHBondContact O-N 2.78Å; F174-S212 PolarHBondContact O-OG 2.72Å; F174-S212 VanDerWaalsContact O-OG 3.05Å; F174-G215 VanDerWaalsContact CD1-C 3.48Å; F174-G215 WeakPolarHBondContact CD1-O 3.49Å; F174-W216 AromaticContact CD1-CD1 3.84Å; F174-W216 AromaticContact CE1-CD1 3.29Å; F174-W216 HydrophobicContact CE1-CG 4.23Å; F174-W216 AromaticContact CE1-NE1 3.63Å
175	R	97.7	Very high	96.9	Very high	87 Å²	87	28.3 Å²	28.3	33%	0.328	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	130.6	-174.5	-58.8	-64.1	-165.5	129.7	-8.9	113.7	S171 D173 R177 D209 Y210 I217	S171-R175 PolarHBondContact N-O 3.2Å; S171-R175 PolarHBondContact OG-O 2.92Å; D173-R175 VanDerWaalsContact C-N 3.32Å; D173-R175 WeakPolarHBondContact OD1-CB 3.14Å; D173-R175 PolarHBondContact OD1-N 2.95Å; R175-R177 HydrophobicContact CB-CG 4.31Å; R175-R177 VanDerWaalsContact CB-CZ 3.45Å; R175-D209 WeakPolarHBondContact CD-OD1 3.37Å; R175-D209 IonicContact CZ-OD1 2.74Å; R175-D209 IonicContact NE-OD1 3.96Å; R175-D209 IonicContact NH1-OD1 3.87Å; R175-D209 PolarHBondContact NH1-OD1 2.51Å; R175-D209 IonicContact NH1-OD2 3.61Å; R175-Y210 WeakPolarHBondContact CA-O 3.29Å; R175-Y210 VanDerWaalsContact CD-O 3.26Å; R175-Y210 WeakPolarHBondContact CD-O 3.31Å; R175-I217 VanDerWaalsContact O-CD1 3.25Å; R175-I217 WeakPolarHBondContact O-CD1 3.31Å
176	A	98.1	Very high	96.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.1	166.3	0	0	0	0	0	107.9	Y210 I217 I220 W231	A176-Y210 HydrophobicContact CB-CD2 4.36Å; A176-Y210 PolarHBondContact N-O 3.2Å; A176-Y210 PolarHBondContact O-N 3.41Å; A176-I217 HydrophobicContact CB-CD1 3.82Å; A176-I217 VanDerWaalsContact N-CD1 3.28Å; A176-I220 HydrophobicContact CB-CD1 3.69Å; A176-W231 HydrophobicContact CB-CD2 3.53Å; A176-W231 HydrophobicContact CB-CE3 3.79Å; A176-W231 HydrophobicContact CB-CG 3.9Å; A176-W231 HydrophobicContact CB-CH2 4.46Å; A176-W231 HydrophobicContact CB-CZ2 4.24Å; A176-W231 HydrophobicContact CB-CZ3 4.25Å
177	R	98.2	Very high	96.5	Very high	5 Å²	5	29.5 Å²	29.5	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.2	-176.3	-60.6	-172.3	-179.2	95.1	-8.6	111.6	P150 A168 V169 S171 D173 R175 Y179 A208 D209	P150-R177 PolarHBondContact O-NH2 3.27Å; A168-R177 CarbonylContact C-O 3.52Å; A168-R177 WeakPolarHBondContact CA-O 3.5Å; V169-R177 PolarHBondContact N-O 3.38Å; V169-R177 PolarHBondContact O-N 3.11Å; S171-R177 PolarHBondContact OG-NH1 3.45Å; D173-R177 IonicContact OD1-NH1 3.85Å; D173-R177 PolarHBondContact OD1-NH1 3.4Å; D173-R177 IonicContact OD2-CZ 3.6Å; D173-R177 IonicContact OD2-NH1 3.98Å; D173-R177 PolarHBondContact OD2-NH1 2.88Å; D173-R177 IonicContact OD2-NH2 3.08Å; D173-R177 PolarHBondContact OD2-NH2 3.29Å; R175-R177 HydrophobicContact CB-CG 4.31Å; R175-R177 VanDerWaalsContact CB-CZ 3.45Å; R177-Y179 HydrophobicContact CB-CD2 4.03Å; R177-Y179 HydrophobicContact CB-CE2 3.53Å; R177-Y179 VanDerWaalsContact CD-OH 3.24Å; R177-Y179 WeakPolarHBondContact CD-OH 3.49Å; R177-Y179 HydrophobicContact CG-CE2 4.29Å; R177-A208 CarbonylContact C-O 3.51Å; R177-A208 VanDerWaalsContact CA-O 3.24Å; R177-A208 WeakPolarHBondContact CA-O 3.44Å; R177-D209 HydrophobicContact CG-CB 4.23Å; R177-D209 IonicContact CZ-OD2 3.51Å; R177-D209 IonicContact NE-OD1 3.63Å; R177-D209 IonicContact NE-OD2 3.91Å; R177-D209 PolarHBondContact NE-OD2 3.37Å; R177-D209 IonicContact NH2-OD2 3.58Å
178	V	98	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.9	168.3	-179	0	0	0	0	108.4	L166 L167 W196 L207 A208 F222 L229	L166-V178 HydrophobicContact CB-CG1 4.17Å; L166-V178 HydrophobicContact CD1-CG1 4.4Å; L167-V178 WeakPolarHBondContact O-CA 3.43Å; V178-W196 HydrophobicContact CG2-CE3 4.19Å; V178-W196 HydrophobicContact CG2-CH2 4.22Å; V178-W196 HydrophobicContact CG2-CZ3 3.93Å; V178-L207 HydrophobicContact CB-CB 4.41Å; V178-L207 HydrophobicContact CG1-CB 4.27Å; V178-L207 HydrophobicContact CG1-CD1 4.36Å; V178-L207 PolarHBondContact O-N 3.45Å; V178-A208 HydrophobicContact CB-CB 4.16Å; V178-A208 HydrophobicContact CG2-CB 4.21Å; V178-A208 PolarHBondContact N-O 3.3Å; V178-A208 PolarHBondContact O-N 3.16Å; V178-F222 HydrophobicContact CG1-CZ 3.96Å; V178-F222 HydrophobicContact CG2-CE1 4.39Å; V178-F222 HydrophobicContact CG2-CZ 3.97Å; V178-L229 HydrophobicContact CG2-CD2 3.65Å
179	Y	97.9	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	153.1	179.6	-73.4	-85.6	0	0	0	112.1	I147 K149 P150 I151 L166 L167 V169 R177 A181 T205 I206	I147-Y179 HydrophobicContact CD1-CG 4.32Å; I147-Y179 HydrophobicContact CG2-CD1 3.5Å; I147-Y179 VanDerWaalsContact CG2-CD1 3.5Å; I147-Y179 HydrophobicContact CG2-CD2 4.31Å; I147-Y179 HydrophobicContact CG2-CE1 3.42Å; I147-Y179 VanDerWaalsContact CG2-CE1 3.42Å; I147-Y179 HydrophobicContact CG2-CE2 4.26Å; I147-Y179 HydrophobicContact CG2-CG 3.92Å; K149-Y179 PolarHBondContact O-OH 3.08Å; P150-Y179 WeakPolarHBondContact CD-OH 3.32Å; I151-Y179 HydrophobicContact CD1-CE2 4.32Å; I151-Y179 HydrophobicContact CG1-CE2 4.44Å; I151-Y179 WeakPolarHBondContact CG1-OH 3.49Å; L166-Y179 CarbonylContact C-O 3.5Å; L166-Y179 VanDerWaalsContact CA-O 3.29Å; L166-Y179 WeakPolarHBondContact CA-O 3.1Å; L167-Y179 PolarHBondContact N-O 3.26Å; L167-Y179 PolarHBondContact O-N 2.97Å; V169-Y179 HydrophobicContact CB-CD2 4.16Å; V169-Y179 HydrophobicContact CB-CE2 4.15Å; V169-Y179 HydrophobicContact CG2-CD2 3.6Å; V169-Y179 HydrophobicContact CG2-CE2 4.01Å; R177-Y179 HydrophobicContact CB-CD2 4.03Å; R177-Y179 HydrophobicContact CB-CE2 3.53Å; R177-Y179 VanDerWaalsContact CD-OH 3.24Å; R177-Y179 WeakPolarHBondContact CD-OH 3.49Å; R177-Y179 HydrophobicContact CG-CE2 4.29Å; Y179-A181 PolarHBondContact O-N 3.33Å; Y179-T205 CarbonylContact C-O 3.48Å; Y179-T205 VanDerWaalsContact CA-O 3.31Å; Y179-T205 WeakPolarHBondContact CA-O 3.37Å; Y179-I206 HydrophobicContact CD1-CG1 3.91Å; Y179-I206 HydrophobicContact CE1-CB 4.4Å; Y179-I206 HydrophobicContact CE1-CD1 4.36Å; Y179-I206 HydrophobicContact CE1-CG1 3.36Å
180	S	96.5	Very high	94	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.014	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	118.9	159	177.5	0	0	0	0	109	Y182 V201 P202 G204 T205	S180-Y182 WeakPolarHBondContact OG-CB 3.47Å; S180-Y182 PolarHBondContact OG-N 2.98Å; S180-V201 PolarHBondContact OG-O 3.04Å; S180-P202 WeakPolarHBondContact CB-O 3.06Å; S180-P202 PolarHBondContact OG-O 3.45Å; S180-G204 PolarHBondContact O-N 2.77Å; S180-T205 PolarHBondContact N-O 2.92Å
181	A	96.9	Very high	92.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.			trans	-104.9	24.5	169.7	0	0	0	0	0	111.1	K120 I132 W160 L165 L167 Y179 V183	K120-A181 WeakPolarHBondContact CE-O 3.38Å; I132-A181 HydrophobicContact CD1-CB 4.08Å; I132-A181 HydrophobicContact CG1-CB 4.18Å; W160-A181 HydrophobicContact CH2-CB 3.66Å; W160-A181 HydrophobicContact CZ3-CB 3.52Å; L165-A181 CarbonylContact O-C 3.56Å; L165-A181 WeakPolarHBondContact O-CA 3.19Å; L165-A181 PolarHBondContact O-N 3.28Å; L167-A181 HydrophobicContact CB-CB 4Å; Y179-A181 PolarHBondContact O-N 3.33Å; A181-V183 PolarHBondContact O-N 3.4Å
182	Y	95.3	Very high	91.1	Very high	57 Å²	57	51.5 Å²	51.5	22%	0.224	26%	0.256	C	S	.	.			trans	-60.5	125.8	176.5	167.8	-105.3	0	0	0	111.7	L165 S180 K184 D187 G188 F203	L165-Y182 HydrophobicContact CD2-CD2 4.01Å; L165-Y182 PolarHBondContact O-N 3.19Å; S180-Y182 WeakPolarHBondContact OG-CB 3.47Å; S180-Y182 PolarHBondContact OG-N 2.98Å; Y182-K184 HydrophobicContact CE1-CB 4.17Å; Y182-D187 HydrophobicContact CD2-CB 3.76Å; Y182-D187 HydrophobicContact CE2-CB 3.76Å; Y182-G188 WeakPolarHBondContact CE2-O 3.26Å; Y182-G188 PolarHBondContact OH-O 2.9Å; Y182-F203 WeakPolarHBondContact O-CB 3.33Å; Y182-F203 VanDerWaalsContact O-CD2 3.31Å; Y182-F203 WeakPolarHBondContact O-CD2 3.42Å
183	V	94.5	Very high	90.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.			trans	-123.6	112.4	175.4	174.8	0	0	0	0	107.9	K120 I132 F134 A181 E185 T186 D187 F203	K120-V183 HydrophobicContact CD-CB 4.08Å; K120-V183 HydrophobicContact CD-CG2 3.88Å; I132-V183 HydrophobicContact CG2-CG2 4.15Å; F134-V183 HydrophobicContact CD1-CB 4.48Å; F134-V183 HydrophobicContact CD1-CG1 3.71Å; F134-V183 HydrophobicContact CD1-CG2 4.17Å; F134-V183 HydrophobicContact CD2-CG1 4.22Å; F134-V183 HydrophobicContact CE1-CB 4.46Å; F134-V183 HydrophobicContact CE1-CG1 3.45Å; F134-V183 VanDerWaalsContact CE1-CG1 3.45Å; F134-V183 HydrophobicContact CE1-CG2 4.17Å; F134-V183 HydrophobicContact CE2-CG1 3.98Å; F134-V183 HydrophobicContact CG-CG1 4.09Å; F134-V183 HydrophobicContact CZ-CG1 3.59Å; A181-V183 PolarHBondContact O-N 3.4Å; V183-E185 HydrophobicContact CG1-CB 4.13Å; V183-E185 WeakPolarHBondContact CG1-OE2 3.38Å; V183-E185 PolarHBondContact O-N 3.32Å; V183-E185 VanDerWaalsContact O-N 3.16Å; V183-T186 WeakPolarHBondContact CB-OG1 3.42Å; V183-T186 HydrophobicContact CG1-CG2 4.37Å; V183-T186 PolarHBondContact O-N 3.05Å; V183-T186 PolarHBondContact O-OG1 3.12Å; V183-D187 PolarHBondContact N-OD2 2.71Å; V183-D187 WeakPolarHBondContact O-CB 3.22Å; V183-D187 PolarHBondContact O-N 3.44Å; V183-F203 HydrophobicContact CG2-CD2 4.21Å; V183-F203 HydrophobicContact CG2-CE2 4.31Å
184	K	92.4	Very high	89.8	Confident	141 Å²	141	52.2 Å²	52.2	61%	0.613	27%	0.274	S	S	*	.	H	α-helix	trans	-53.7	-38.8	-175.8	-178	-178.1	177.1	-173.9	0	112.4	Y182 T186 G188	Y182-K184 HydrophobicContact CE1-CB 4.17Å; K184-T186 VanDerWaalsContact C-N 3.3Å; K184-T186 PolarHBondContact O-N 3.13Å; K184-G188 VanDerWaalsContact O-CA 3.32Å; K184-G188 WeakPolarHBondContact O-CA 3.37Å; K184-G188 PolarHBondContact O-N 3.26Å
185	E	91.3	Very high	89.4	Confident	103 Å²	103	50.6 Å²	50.6	48%	0.481	27%	0.274	S	S	.	.	H	α-helix	trans	-63.4	-33.9	-178	-62.5	74.3	-166.4	0	0	112.3	F134 R145 V183	F134-E185 HydrophobicContact CE2-CB 3.95Å; F134-E185 HydrophobicContact CE2-CG 4.31Å; R145-E185 IonicContact CZ-OE1 3.38Å; R145-E185 IonicContact CZ-OE2 2.74Å; R145-E185 IonicContact NH1-OE1 3.11Å; R145-E185 IonicContact NH1-OE2 2.65Å; R145-E185 PolarHBondContact NH1-OE2 3.08Å; R145-E185 IonicContact NH2-OE1 2.81Å; R145-E185 PolarHBondContact NH2-OE1 3.42Å; R145-E185 IonicContact NH2-OE2 3.92Å; R145-E185 PolarHBondContact NH2-OE2 2.96Å; R145-E185 VanDerWaalsContact NH2-OE2 3.11Å; V183-E185 HydrophobicContact CG1-CB 4.13Å; V183-E185 WeakPolarHBondContact CG1-OE2 3.38Å; V183-E185 PolarHBondContact O-N 3.32Å; V183-E185 VanDerWaalsContact O-N 3.16Å
186	T	92.7	Very high	89.2	Confident	37 Å²	37	47.4 Å²	47.4	23%	0.227	26%	0.262	C	S	.	.	H	α-helix	trans	-103	-31.5	-179.2	57.3	0	0	0	0	114.2	N119 K120 F134 V183 K184	N119-T186 PolarHBondContact ND2-O 2.7Å; K120-T186 HydrophobicContact CG-CG2 4.47Å; F134-T186 HydrophobicContact CB-CG2 3.52Å; F134-T186 HydrophobicContact CD2-CG2 3.76Å; F134-T186 HydrophobicContact CG-CG2 3.81Å; V183-T186 WeakPolarHBondContact CB-OG1 3.42Å; V183-T186 HydrophobicContact CG1-CG2 4.37Å; V183-T186 PolarHBondContact O-N 3.05Å; V183-T186 PolarHBondContact O-OG1 3.12Å; K184-T186 VanDerWaalsContact C-N 3.3Å; K184-T186 PolarHBondContact O-N 3.13Å
187	D	93	Very high	88.8	Confident	10 Å²	10	47.9 Å²	47.9	5%	0.053	27%	0.266	C	S	.	.	H	α-helix	trans	-98.8	-13	-172.9	-60	-42.9	0	0	0	112.3	K120 N164 L165 Y182 V183 K190	K120-D187 IonicContact NZ-OD1 3.84Å; K120-D187 PolarHBondContact NZ-OD1 3.22Å; K120-D187 IonicContact NZ-OD2 3.47Å; K120-D187 PolarHBondContact NZ-OD2 3.38Å; N164-D187 PolarHBondContact ND2-OD1 3.11Å; L165-D187 HydrophobicContact CD2-CB 3.91Å; Y182-D187 HydrophobicContact CD2-CB 3.76Å; Y182-D187 HydrophobicContact CE2-CB 3.76Å; V183-D187 PolarHBondContact N-OD2 2.71Å; V183-D187 WeakPolarHBondContact O-CB 3.22Å; V183-D187 PolarHBondContact O-N 3.44Å; D187-K190 VanDerWaalsContact O-CB 3.31Å; D187-K190 WeakPolarHBondContact O-CB 3.47Å; D187-K190 WeakPolarHBondContact O-CG 3.38Å; D187-K190 PolarHBondContact O-N 3.04Å
188	G	88.6	Confident	88.2	Confident	35 Å²	35	53.5 Å²	53.5	36%	0.361	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	-139.1	-179.9	0	0	0	0	0	112.3	Y182 K184 K190	Y182-G188 WeakPolarHBondContact CE2-O 3.26Å; Y182-G188 PolarHBondContact OH-O 2.9Å; K184-G188 VanDerWaalsContact O-CA 3.32Å; K184-G188 WeakPolarHBondContact O-CA 3.37Å; K184-G188 PolarHBondContact O-N 3.26Å; G188-K190 VanDerWaalsContact C-N 3.3Å
189	S	81.4	Confident	87.6	Confident	113 Å²	113	61.3 Å²	61.3	79%	0.79	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	6.9	175.8	54.5	0	0	0	0	113.8	H191	S189-H191 PolarHBondContact O-N 3.32Å
190	K	71.9	Confident	87	Confident	146 Å²	146	64.9 Å²	64.9	64%	0.635	37%	0.365	S	S	*	.			trans	-64	125.6	-178.7	-67.9	-179.6	179	178.6	0	110.2	D187 G188	D187-K190 VanDerWaalsContact O-CB 3.31Å; D187-K190 WeakPolarHBondContact O-CB 3.47Å; D187-K190 WeakPolarHBondContact O-CG 3.38Å; D187-K190 PolarHBondContact O-N 3.04Å; G188-K190 VanDerWaalsContact C-N 3.3Å
191	H	73.5	Confident	86.8	Confident	132 Å²	132	66.4 Å²	66.4	61%	0.611	37%	0.374	S	S	*	.			trans	-122	119.3	166.9	52.7	71.3	0	0	0	108.2	S189 A200	S189-H191 PolarHBondContact O-N 3.32Å; H191-A200 HydrophobicContact CB-CB 3.86Å
192	S	63.6	Low	86.6	Confident	36 Å²	36	70.6 Å²	70.6	25%	0.252	40%	0.401	S	S	.	.			trans	-86	118.5	169.5	167.8	0	0	0	0	107.5	N163	N163-S192 WeakPolarHBondContact CB-OG 3.41Å; N163-S192 WeakPolarHBondContact ND2-CB 3.2Å; N163-S192 PolarHBondContact ND2-OG 3.09Å
193	S	79.4	Confident	86.7	Confident	95 Å²	95	70.3 Å²	70.3	66%	0.664	40%	0.401	S	S	*	.			trans	-73.1	123.3	154.3	53.7	0	0	0	0	107.1	A197	S193-A197 WeakPolarHBondContact CA-O 3.46Å
194	C	87.2	Confident	86.8	Confident	22 Å²	22	71.4 Å²	71.4	15%	0.149	41%	0.412	C	S	.	.	B	Isolated β-bridge	trans	-140	171.9	170.6	62.1	0	0	0	0	108.1	L166 W196 A197	L166-C194 VanDerWaalsContact CD1-SG 3.57Å; C194-W196 PolarHBondContact O-N 2.97Å; C194-W196 VanDerWaalsContact O-N 3.07Å; C194-A197 PolarHBondContact N-O 2.58Å; C194-A197 CarbonylContact O-C 3.55Å; C194-A197 VanDerWaalsContact O-C 3.25Å; C194-A197 PolarHBondContact O-N 3.21Å
195	A	89.8	Confident	87	Confident	41 Å²	41	67.2 Å²	67.2	34%	0.339	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24	-178	0	0	0	0	0	113.3	S243 T244	A195-S243 WeakPolarHBondContact CB-OG 3.43Å; A195-T244 HydrophobicContact CB-CG2 3.91Å
196	W	93.3	Very high	87.2	Confident	21 Å²	21	65.7 Å²	65.7	8%	0.08	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-28.6	174.2	-59.1	98.3	0	0	0	114.8	H161 L166 V178 C194 L207 A208 Y210 F222 G226 L229 V241 S243 V247	H161-W196 AromaticContact CD2-CD1 3.86Å; H161-W196 AromaticContact NE2-CD1 3.8Å; L166-W196 HydrophobicContact CD1-CB 3.58Å; L166-W196 HydrophobicContact CD1-CG 4.03Å; V178-W196 HydrophobicContact CG2-CE3 4.19Å; V178-W196 HydrophobicContact CG2-CH2 4.22Å; V178-W196 HydrophobicContact CG2-CZ3 3.93Å; C194-W196 PolarHBondContact O-N 2.97Å; C194-W196 VanDerWaalsContact O-N 3.07Å; W196-L207 HydrophobicContact CB-CD2 4.28Å; W196-L207 WeakPolarHBondContact O-CD2 3.39Å; W196-A208 HydrophobicContact CE3-CB 4.3Å; W196-A208 HydrophobicContact CZ3-CB 3.83Å; W196-Y210 HydrophobicContact CH2-CE2 4.37Å; W196-Y210 HydrophobicContact CZ3-CE2 4.28Å; W196-Y210 VanDerWaalsContact CZ3-OH 3.25Å; W196-Y210 WeakPolarHBondContact CZ3-OH 3.24Å; W196-F222 AromaticContact CE2-CE1 3.79Å; W196-F222 AromaticContact CZ2-CE1 3.91Å; W196-F222 HydrophobicContact CZ2-CE1 3.91Å; W196-F222 AromaticContact NE1-CE1 3.64Å; W196-G226 PolarHBondContact NE1-O 3.5Å; W196-L229 HydrophobicContact CH2-CB 3.96Å; W196-L229 HydrophobicContact CH2-CD2 4.27Å; W196-L229 HydrophobicContact CZ2-CB 3.9Å; W196-V241 HydrophobicContact CH2-CG1 3.71Å; W196-V241 HydrophobicContact CZ2-CG1 4.47Å; W196-S243 PolarHBondContact NE1-OG 2.55Å; W196-V247 HydrophobicContact CE3-CG2 3.56Å; W196-V247 HydrophobicContact CH2-CG2 4.39Å; W196-V247 HydrophobicContact CZ3-CG2 3.44Å; W196-V247 VanDerWaalsContact CZ3-CG2 3.44Å
197	A	89.3	Confident	87.3	Confident	10 Å²	10	65.7 Å²	65.7	8%	0.083	39%	0.392	C	S	.	.	B	Isolated β-bridge	trans	-149	114.4	-170.4	0	0	0	0	0	110.9	S193 C194 V201 L207	S193-A197 WeakPolarHBondContact CA-O 3.46Å; C194-A197 PolarHBondContact N-O 2.58Å; C194-A197 CarbonylContact O-C 3.55Å; C194-A197 VanDerWaalsContact O-C 3.25Å; C194-A197 PolarHBondContact O-N 3.21Å; A197-V201 HydrophobicContact CB-CG2 3.71Å; A197-L207 HydrophobicContact CB-CD2 3.54Å
198	T	84.9	Confident	87.5	Confident	122 Å²	122	65.7 Å²	65.7	75%	0.748	39%	0.393	S	S	*	.	S	Bend	trans	-86.7	-10.7	176.8	54.9	0	0	0	0	113.4
199	K	86.8	Confident	87.9	Confident	165 Å²	165	66.7 Å²	66.7	72%	0.717	39%	0.39	S	S	*	.	S	Bend	trans	-135.7	164	-176.7	-63.2	-178.5	-178.1	177.6	0	110.5	V201	K199-V201 WeakPolarHBondContact O-CG2 3.44Å; K199-V201 PolarHBondContact O-N 2.84Å
200	A	85.6	Confident	88.6	Confident	75 Å²	75	62 Å²	62	62%	0.62	36%	0.355	S	S	*	.			trans	-57.9	128.9	170.4	0	0	0	0	0	110.2	H191	H191-A200 HydrophobicContact CB-CB 3.86Å
201	V	91	Very high	89.6	Confident	33 Å²	33	56.5 Å²	56.5	20%	0.2	34%	0.335	C	S	.	.			trans	-117.9	123.1	-174.8	-157.3	0	0	0	0	109.6	S180 A197 K199 T205 L207	S180-V201 PolarHBondContact OG-O 3.04Å; A197-V201 HydrophobicContact CB-CG2 3.71Å; K199-V201 WeakPolarHBondContact O-CG2 3.44Å; K199-V201 PolarHBondContact O-N 2.84Å; V201-T205 HydrophobicContact CG1-CG2 3.41Å; V201-T205 VanDerWaalsContact CG1-CG2 3.41Å; V201-L207 HydrophobicContact CG2-CD2 4.15Å
202	P	93.7	Very high	90	Very high	88 Å²	88	50.3 Å²	50.3	57%	0.571	31%	0.307	S	S	*	.			trans	-57.5	153.3	179.6	-24.1	33.3	0	0	0	113.2	S180 G204 T205	S180-P202 WeakPolarHBondContact CB-O 3.06Å; S180-P202 PolarHBondContact OG-O 3.45Å; P202-G204 PolarHBondContact O-N 3.46Å; P202-T205 VanDerWaalsContact O-CB 3.31Å; P202-T205 WeakPolarHBondContact O-CB 3.32Å; P202-T205 PolarHBondContact O-N 2.94Å; P202-T205 PolarHBondContact O-OG1 2.72Å
203	F	96.1	Very high	90.7	Very high	52 Å²	52	56.2 Å²	56.2	23%	0.228	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	135.9	175.5	-178.2	-93.8	0	0	0	112.3	I132 R145 I147 Y182 V183 T205	I132-F203 HydrophobicContact CB-CE2 3.87Å; I132-F203 HydrophobicContact CB-CZ 4.18Å; I132-F203 HydrophobicContact CG1-CE2 3.67Å; I132-F203 HydrophobicContact CG1-CZ 3.88Å; I132-F203 HydrophobicContact CG2-CE2 4.34Å; R145-F203 HydrophobicContact CB-CD1 4.45Å; R145-F203 HydrophobicContact CB-CE1 3.74Å; R145-F203 HydrophobicContact CB-CE2 3.89Å; R145-F203 HydrophobicContact CB-CZ 3.41Å; R145-F203 VanDerWaalsContact CB-CZ 3.41Å; I147-F203 HydrophobicContact CD1-CE2 4.39Å; I147-F203 HydrophobicContact CD1-CZ 4.16Å; I147-F203 HydrophobicContact CG1-CE1 3.75Å; I147-F203 HydrophobicContact CG1-CE2 4.19Å; I147-F203 HydrophobicContact CG1-CZ 3.48Å; I147-F203 VanDerWaalsContact CG1-CZ 3.48Å; Y182-F203 WeakPolarHBondContact O-CB 3.33Å; Y182-F203 VanDerWaalsContact O-CD2 3.31Å; Y182-F203 WeakPolarHBondContact O-CD2 3.42Å; V183-F203 HydrophobicContact CG2-CD2 4.21Å; V183-F203 HydrophobicContact CG2-CE2 4.31Å; F203-T205 PolarHBondContact O-N 3.09Å
204	G	96.9	Very high	90.6	Very high	23 Å²	23	56.2 Å²	56.2	24%	0.237	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	-0.1	176	0	0	0	0	0	114.9	S180 P202	S180-G204 PolarHBondContact O-N 2.77Å; P202-G204 PolarHBondContact O-N 3.46Å
205	T	96.3	Very high	90.8	Very high	53 Å²	53	55.2 Å²	55.2	33%	0.325	32%	0.322	S	S	.	.			trans	-64.6	136.8	172.4	-53.7	0	0	0	0	109.8	Y179 S180 V201 P202 F203 L207	Y179-T205 CarbonylContact C-O 3.48Å; Y179-T205 VanDerWaalsContact CA-O 3.31Å; Y179-T205 WeakPolarHBondContact CA-O 3.37Å; S180-T205 PolarHBondContact N-O 2.92Å; V201-T205 HydrophobicContact CG1-CG2 3.41Å; V201-T205 VanDerWaalsContact CG1-CG2 3.41Å; P202-T205 VanDerWaalsContact O-CB 3.31Å; P202-T205 WeakPolarHBondContact O-CB 3.32Å; P202-T205 PolarHBondContact O-N 2.94Å; P202-T205 PolarHBondContact O-OG1 2.72Å; F203-T205 PolarHBondContact O-N 3.09Å; T205-L207 WeakPolarHBondContact O-CD1 3.44Å
206	I	96.3	Very high	91.1	Very high	70 Å²	70	59 Å²	59	36%	0.359	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	124.1	174.3	-54.6	157.7	0	0	0	107.8	P150 Y179 A208 D209	P150-I206 VanDerWaalsContact CD-CD1 3.44Å; P150-I206 HydrophobicContact CG-CD1 3.58Å; Y179-I206 HydrophobicContact CD1-CG1 3.91Å; Y179-I206 HydrophobicContact CE1-CB 4.4Å; Y179-I206 HydrophobicContact CE1-CD1 4.36Å; Y179-I206 HydrophobicContact CE1-CG1 3.36Å; I206-A208 VanDerWaalsContact CG2-O 3.32Å; I206-A208 WeakPolarHBondContact CG2-O 3.35Å; I206-D209 HydrophobicContact CG2-CB 4.12Å
207	L	95.2	Very high	91.3	Very high	38 Å²	38	58 Å²	58	20%	0.199	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-30.7	175.5	-61.5	92.9	0	0	0	111.6	L166 V178 W196 A197 V201 T205	L166-L207 HydrophobicContact CD1-CD2 4.26Å; L166-L207 HydrophobicContact CD2-CD1 3.92Å; L166-L207 HydrophobicContact CD2-CD2 3.81Å; V178-L207 HydrophobicContact CB-CB 4.41Å; V178-L207 HydrophobicContact CG1-CB 4.27Å; V178-L207 HydrophobicContact CG1-CD1 4.36Å; V178-L207 PolarHBondContact O-N 3.45Å; W196-L207 HydrophobicContact CB-CD2 4.28Å; W196-L207 WeakPolarHBondContact O-CD2 3.39Å; A197-L207 HydrophobicContact CB-CD2 3.54Å; V201-L207 HydrophobicContact CG2-CD2 4.15Å; T205-L207 WeakPolarHBondContact O-CD1 3.44Å
208	A	96.3	Very high	91.8	Very high	10 Å²	10	59.2 Å²	59.2	8%	0.083	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	145.8	174.9	0	0	0	0	0	111.1	R177 V178 W196 I206 Y210	R177-A208 CarbonylContact C-O 3.51Å; R177-A208 VanDerWaalsContact CA-O 3.24Å; R177-A208 WeakPolarHBondContact CA-O 3.44Å; V178-A208 HydrophobicContact CB-CB 4.16Å; V178-A208 HydrophobicContact CG2-CB 4.21Å; V178-A208 PolarHBondContact N-O 3.3Å; V178-A208 PolarHBondContact O-N 3.16Å; W196-A208 HydrophobicContact CE3-CB 4.3Å; W196-A208 HydrophobicContact CZ3-CB 3.83Å; I206-A208 VanDerWaalsContact CG2-O 3.32Å; I206-A208 WeakPolarHBondContact CG2-O 3.35Å; A208-Y210 HydrophobicContact CB-CD2 4.38Å; A208-Y210 HydrophobicContact CB-CE1 4.39Å; A208-Y210 HydrophobicContact CB-CE2 3.56Å; A208-Y210 WeakPolarHBondContact CB-OH 3.37Å
209	D	96.7	Very high	92.4	Very high	56 Å²	56	53.9 Å²	53.9	30%	0.299	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	101.7	175.6	-171.9	-26.2	0	0	0	109.7	R175 R177 I206	R175-D209 WeakPolarHBondContact CD-OD1 3.37Å; R175-D209 IonicContact CZ-OD1 2.74Å; R175-D209 IonicContact NE-OD1 3.96Å; R175-D209 IonicContact NH1-OD1 3.87Å; R175-D209 PolarHBondContact NH1-OD1 2.51Å; R175-D209 IonicContact NH1-OD2 3.61Å; R177-D209 HydrophobicContact CG-CB 4.23Å; R177-D209 IonicContact CZ-OD2 3.51Å; R177-D209 IonicContact NE-OD1 3.63Å; R177-D209 IonicContact NE-OD2 3.91Å; R177-D209 PolarHBondContact NE-OD2 3.37Å; R177-D209 IonicContact NH2-OD2 3.58Å; I206-D209 HydrophobicContact CG2-CB 4.12Å
210	Y	96.9	Very high	93	Very high	14 Å²	14	46.1 Å²	46.1	6%	0.055	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	144.4	-177.8	-53.2	-63.6	0	0	0	111.1	R175 A176 W196 A208 L229 W231 V241 V247 I250	R175-Y210 WeakPolarHBondContact CA-O 3.29Å; R175-Y210 VanDerWaalsContact CD-O 3.26Å; R175-Y210 WeakPolarHBondContact CD-O 3.31Å; A176-Y210 HydrophobicContact CB-CD2 4.36Å; A176-Y210 PolarHBondContact N-O 3.2Å; A176-Y210 PolarHBondContact O-N 3.41Å; W196-Y210 HydrophobicContact CH2-CE2 4.37Å; W196-Y210 HydrophobicContact CZ3-CE2 4.28Å; W196-Y210 VanDerWaalsContact CZ3-OH 3.25Å; W196-Y210 WeakPolarHBondContact CZ3-OH 3.24Å; A208-Y210 HydrophobicContact CB-CD2 4.38Å; A208-Y210 HydrophobicContact CB-CE1 4.39Å; A208-Y210 HydrophobicContact CB-CE2 3.56Å; A208-Y210 WeakPolarHBondContact CB-OH 3.37Å; Y210-L229 HydrophobicContact CD2-CD2 4.43Å; Y210-L229 HydrophobicContact CE2-CD2 4.13Å; Y210-W231 AromaticContact CD2-CH2 3.8Å; Y210-W231 HydrophobicContact CD2-CH2 3.8Å; Y210-W231 AromaticContact CD2-CZ3 3.93Å; Y210-W231 HydrophobicContact CD2-CZ3 3.93Å; Y210-W231 HydrophobicContact CE2-CZ3 4.46Å; Y210-W231 AromaticContact CG-CH2 3.77Å; Y210-W231 HydrophobicContact CG-CH2 3.77Å; Y210-W231 HydrophobicContact CG-CZ2 4.38Å; Y210-W231 HydrophobicContact CG-CZ3 4.37Å; Y210-V241 HydrophobicContact CE1-CG2 4.35Å; Y210-V241 HydrophobicContact CE2-CG1 3.8Å; Y210-V247 WeakPolarHBondContact CE1-O 2.95Å; Y210-V247 VanDerWaalsContact CZ-O 3.25Å; Y210-V247 WeakPolarHBondContact OH-CG2 3.38Å; Y210-V247 PolarHBondContact OH-O 3.11Å; Y210-I250 HydrophobicContact CD1-CD1 3.61Å; Y210-I250 HydrophobicContact CD1-CG1 3.68Å; Y210-I250 HydrophobicContact CE1-CG1 4.17Å; Y210-I250 HydrophobicContact CG-CD1 4.01Å; Y210-I250 HydrophobicContact CG-CG1 4.28Å
211	S	92.9	Very high	93.6	Very high	31 Å²	31	44.4 Å²	44.4	22%	0.217	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.6	176	170.9	0	0	0	0	110.6	F174 H213	F174-S211 WeakPolarHBondContact O-CA 3.44Å; S211-H213 PolarHBondContact O-N 3.39Å; S211-H213 PolarHBondContact OG-N 2.95Å; S211-H213 VanDerWaalsContact OG-N 3.11Å
212	S	82.8	Confident	93.9	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.014	23%	0.232	C	C	.	.			trans	-81.1	3.7	167.4	56.5	0	0	0	0	112.7	F174 C214 G215	F174-S212 WeakPolarHBondContact CA-OG 3.32Å; F174-S212 PolarHBondContact O-N 2.78Å; F174-S212 PolarHBondContact O-OG 2.72Å; F174-S212 VanDerWaalsContact O-OG 3.05Å; S212-C214 PolarHBondContact O-N 3.41Å; S212-G215 PolarHBondContact OG-O 3.25Å
213	H	77.3	Confident	94.1	Very high	160 Å²	160	39.2 Å²	39.2	74%	0.741	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-48.7	179.4	-59.5	-77.6	0	0	0	116.1	S211	S211-H213 PolarHBondContact O-N 3.39Å; S211-H213 PolarHBondContact OG-N 2.95Å; S211-H213 VanDerWaalsContact OG-N 3.11Å
214	C	78	Confident	94.1	Very high	94 Å²	94	38.8 Å²	38.8	64%	0.635	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-141.1	-13	-171.8	119.9	0	0	0	0	116	S212	S212-C214 PolarHBondContact O-N 3.41Å
215	G	90.4	Very high	94.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.01	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-103.6	132.3	-178.5	0	0	0	0	0	114.1	F174 S212 I217	F174-G215 VanDerWaalsContact CD1-C 3.48Å; F174-G215 WeakPolarHBondContact CD1-O 3.49Å; S212-G215 PolarHBondContact OG-O 3.25Å; G215-I217 PolarHBondContact O-N 2.92Å
216	W	97	Very high	94.1	Very high	122 Å²	122	37.4 Å²	37.4	46%	0.462	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-56.2	131.6	164.8	-65.9	-35.5	0	0	0	109.6	Y172 F174 H218 G233 H234	Y172-W216 HydrophobicContact CD1-CB 3.64Å; Y172-W216 AromaticContact CD1-CG 3.95Å; Y172-W216 HydrophobicContact CD1-CG 3.95Å; Y172-W216 HydrophobicContact CE1-CB 4.07Å; Y172-W216 HydrophobicContact CG-CB 4.4Å; Y172-W216 HydrophobicContact CG-CG 4.23Å; F174-W216 AromaticContact CD1-CD1 3.84Å; F174-W216 AromaticContact CE1-CD1 3.29Å; F174-W216 HydrophobicContact CE1-CG 4.23Å; F174-W216 AromaticContact CE1-NE1 3.63Å; W216-H218 PolarHBondContact O-N 2.93Å; W216-G233 CarbonylContact O-C 3.58Å; W216-G233 VanDerWaalsContact O-CA 3.32Å; W216-G233 WeakPolarHBondContact O-CA 3.5Å; W216-H234 HydrophobicContact CB-CB 4.09Å; W216-H234 HydrophobicContact CE3-CB 4.45Å; W216-H234 AromaticContact CE3-CD2 3.98Å; W216-H234 PolarHBondContact O-N 2.75Å
217	I	98.1	Very high	94	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	126.2	176.5	-66.1	167.2	0	0	0	108.1	S156 Y172 R175 A176 G215 W231 V232	S156-I217 VanDerWaalsContact CB-O 3.26Å; S156-I217 WeakPolarHBondContact CB-O 3.13Å; S156-I217 PolarHBondContact OG-O 2.95Å; Y172-I217 WeakPolarHBondContact CE1-O 3.28Å; R175-I217 VanDerWaalsContact O-CD1 3.25Å; R175-I217 WeakPolarHBondContact O-CD1 3.31Å; A176-I217 HydrophobicContact CB-CD1 3.82Å; A176-I217 VanDerWaalsContact N-CD1 3.28Å; G215-I217 PolarHBondContact O-N 2.92Å; I217-W231 HydrophobicContact CD1-CG 4.39Å; I217-W231 HydrophobicContact CG2-CB 4.06Å; I217-V232 WeakPolarHBondContact CA-O 3.42Å
218	H	98	Very high	94.1	Very high	34 Å²	34	36.3 Å²	36.3	16%	0.157	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-41.9	178.1	-71.3	-59.5	0	0	0	112	S157 W216 V232 H234 Y260 T261	S157-H218 WeakPolarHBondContact CB-O 3.33Å; S157-H218 PolarHBondContact OG-O 2.94Å; W216-H218 PolarHBondContact O-N 2.93Å; H218-V232 PolarHBondContact N-O 2.9Å; H218-H234 AromaticContact CD2-ND1 4Å; H218-H234 AromaticContact CE1-ND1 3.98Å; H218-H234 WeakPolarHBondContact NE2-CB 3.31Å; H218-H234 AromaticContact NE2-CG 3.48Å; H218-H234 AromaticContact NE2-ND1 3.05Å; H218-H234 PolarHBondContact NE2-ND1 3.41Å; H218-Y260 PolarHBondContact CD2-O 2.81Å; H218-T261 WeakPolarHBondContact CB-O 3.23Å
219	C	98.4	Very high	94.2	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.7	-179.8	-171.5	0	0	0	0	111.1	S157 W231 V232 T261 S263	S157-C219 WeakPolarHBondContact OG-CA 3.22Å; C219-W231 CarbonylContact O-C 3.48Å; C219-W231 WeakPolarHBondContact O-CA 3.47Å; C219-W231 WeakPolarHBondContact O-CB 3.43Å; C219-V232 HydrophobicContact CB-CG2 3.88Å; C219-V232 PolarHBondContact O-N 2.77Å; C219-T261 WeakPolarHBondContact CB-O 3.42Å; C219-S263 PolarHBondContact SG-N 2.74Å
220	I	98.6	Very high	94.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.1	175.3	-167.5	162.8	0	0	0	108.5	S157 D159 A168 A176 L229 C230 W231	S157-I220 WeakPolarHBondContact OG-CG2 3.41Å; S157-I220 PolarHBondContact OG-N 3.03Å; D159-I220 WeakPolarHBondContact CB-O 3.38Å; A168-I220 HydrophobicContact CB-CD1 3.88Å; A168-I220 HydrophobicContact CB-CG1 3.94Å; A168-I220 HydrophobicContact CB-CG2 4.22Å; A176-I220 HydrophobicContact CB-CD1 3.69Å; I220-L229 HydrophobicContact CD1-CD1 4.12Å; I220-L229 HydrophobicContact CD1-CD2 4.15Å; I220-L229 HydrophobicContact CD1-CG 4.33Å; I220-L229 HydrophobicContact CG1-CD1 3.73Å; I220-L229 HydrophobicContact CG1-CG 4.21Å; I220-C230 CarbonylContact C-O 3.59Å; I220-C230 WeakPolarHBondContact CA-O 3.39Å; I220-W231 HydrophobicContact CB-CB 4.17Å; I220-W231 HydrophobicContact CD1-CB 4.44Å; I220-W231 HydrophobicContact CG1-CB 4.02Å
221	R	98.6	Very high	94.4	Very high	39 Å²	39	32.5 Å²	32.5	15%	0.147	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	132.4	-178.2	-68.8	-62.6	-166.8	150.2	7	112.7	D159 C230 S263 W265	D159-R221 VanDerWaalsContact CG-CD 3.42Å; D159-R221 VanDerWaalsContact OD1-CD 3.29Å; D159-R221 WeakPolarHBondContact OD1-CD 3.36Å; D159-R221 IonicContact OD1-CZ 3.62Å; D159-R221 IonicContact OD1-NE 3.38Å; D159-R221 IonicContact OD1-NH1 3.33Å; D159-R221 PolarHBondContact OD1-NH1 3.18Å; D159-R221 WeakPolarHBondContact OD2-CA 3.32Å; R221-C230 PolarHBondContact N-O 2.78Å; R221-C230 PolarHBondContact O-N 3.48Å; R221-S263 WeakPolarHBondContact CG-O 3.32Å; R221-W265 PolarHBondContact O-NE1 3.33Å
222	F	98.4	Very high	94.6	Very high	10 Å²	10	31 Å²	31	4%	0.044	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	149.5	163.2	-80.1	-67.9	0	0	0	110.9	D159 H161 A168 V178 W196 G226 R228 L229	D159-F222 PolarHBondContact OD2-N 3.34Å; H161-F222 HydrophobicContact CB-CD2 3.89Å; H161-F222 HydrophobicContact CB-CE2 3.64Å; H161-F222 HydrophobicContact CB-CG 4.41Å; H161-F222 HydrophobicContact CB-CZ 4.02Å; H161-F222 AromaticContact CD2-CD1 3.98Å; H161-F222 AromaticContact CD2-CE1 3.84Å; A168-F222 HydrophobicContact CB-CD2 3.91Å; A168-F222 HydrophobicContact CB-CE2 3.47Å; A168-F222 VanDerWaalsContact CB-CE2 3.47Å; A168-F222 HydrophobicContact CB-CZ 3.99Å; V178-F222 HydrophobicContact CG1-CZ 3.96Å; V178-F222 HydrophobicContact CG2-CE1 4.39Å; V178-F222 HydrophobicContact CG2-CZ 3.97Å; W196-F222 AromaticContact CE2-CE1 3.79Å; W196-F222 AromaticContact CZ2-CE1 3.91Å; W196-F222 HydrophobicContact CZ2-CE1 3.91Å; W196-F222 AromaticContact NE1-CE1 3.64Å; F222-G226 WeakPolarHBondContact CD1-O 3.15Å; F222-R228 CarbonylContact C-O 3.59Å; F222-R228 VanDerWaalsContact CA-O 3.32Å; F222-R228 WeakPolarHBondContact CA-O 3.4Å; F222-L229 HydrophobicContact CD1-CB 4.39Å; F222-L229 HydrophobicContact CD1-CD1 3.9Å; F222-L229 HydrophobicContact CD2-CD1 4.38Å; F222-L229 HydrophobicContact CE1-CB 4.39Å; F222-L229 HydrophobicContact CE1-CD1 3.94Å; F222-L229 HydrophobicContact CE2-CD1 4.45Å; F222-L229 HydrophobicContact CG-CD1 4.12Å; F222-L229 HydrophobicContact CZ-CD1 4.23Å
223	S	97.6	Very high	95.1	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.021	16%	0.157	C	C	.	.			trans	-67.7	162.8	164.9	70.3	0	0	0	0	110.8	S225 G226 R228 E268	S223-S225 PolarHBondContact O-N 2.8Å; S223-S225 VanDerWaalsContact O-N 3.16Å; S223-S225 PolarHBondContact OG-OG 2.88Å; S223-G226 WeakPolarHBondContact O-CA 3.41Å; S223-G226 PolarHBondContact O-N 3.14Å; S223-R228 PolarHBondContact N-O 2.79Å; S223-R228 PolarHBondContact OG-N 3.46Å; S223-R228 VanDerWaalsContact OG-N 3.17Å; S223-E268 WeakPolarHBondContact CB-OE2 3.43Å; S223-E268 PolarHBondContact OG-OE2 3.49Å
224	P	96.2	Very high	96	Very high	42 Å²	42	26.9 Å²	26.9	27%	0.273	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-37.8	-179.3	-27.2	32.3	0	0	0	114.8	G226 E268	P224-G226 VanDerWaalsContact C-N 3.29Å; P224-E268 WeakPolarHBondContact CA-OE1 3.31Å; P224-E268 VanDerWaalsContact CB-OE1 3.23Å; P224-E268 WeakPolarHBondContact CB-OE1 3.47Å; P224-E268 WeakPolarHBondContact CD-OE1 3.46Å
225	S	95.4	Very high	96.8	Very high	47 Å²	47	24.2 Å²	24.2	33%	0.329	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-17.4	175.7	68.8	0	0	0	0	113.3	S223 N227 E268	S223-S225 PolarHBondContact O-N 2.8Å; S223-S225 VanDerWaalsContact O-N 3.16Å; S223-S225 PolarHBondContact OG-OG 2.88Å; S225-N227 PolarHBondContact O-N 2.61Å; S225-N227 WeakPolarHBondContact OG-CB 3.34Å; S225-N227 PolarHBondContact OG-N 3.31Å; S225-N227 PolarHBondContact OG-ND2 3.21Å; S225-E268 WeakPolarHBondContact CB-OE1 3.4Å; S225-E268 PolarHBondContact N-OE1 2.9Å; S225-E268 PolarHBondContact OG-OE1 2.8Å; S225-E268 PolarHBondContact OG-OE2 2.9Å
226	G	96.4	Very high	97.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	81.1	-5.3	-174.2	0	0	0	0	0	114.1	H161 W196 F222 S223 P224 R228	H161-G226 PolarHBondContact CD2-O 3.06Å; H161-G226 VanDerWaalsContact CD2-O 3.31Å; H161-G226 WeakPolarHBondContact NE2-CA 3.47Å; H161-G226 PolarHBondContact NE2-O 2.79Å; W196-G226 PolarHBondContact NE1-O 3.5Å; F222-G226 WeakPolarHBondContact CD1-O 3.15Å; S223-G226 WeakPolarHBondContact O-CA 3.41Å; S223-G226 PolarHBondContact O-N 3.14Å; P224-G226 VanDerWaalsContact C-N 3.29Å; G226-R228 VanDerWaalsContact C-N 3.31Å; G226-R228 PolarHBondContact O-N 3.43Å
227	N	95.8	Very high	97	Very high	49 Å²	49	19.4 Å²	19.4	26%	0.262	10%	0.102	S	C	.	.	S	Bend	trans	-71.8	-25.7	-175.7	-71.7	-33.7	0	0	0	113.4	S225 S243 T244	S225-N227 PolarHBondContact O-N 2.61Å; S225-N227 WeakPolarHBondContact OG-CB 3.34Å; S225-N227 PolarHBondContact OG-N 3.31Å; S225-N227 PolarHBondContact OG-ND2 3.21Å; N227-S243 WeakPolarHBondContact O-CB 3.44Å; N227-S243 PolarHBondContact O-N 2.64Å; N227-S243 PolarHBondContact O-OG 2.77Å; N227-T244 HydrophobicContact CB-CG2 3.71Å
228	R	97.3	Very high	97	Very high	36 Å²	36	19.4 Å²	19.4	14%	0.136	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	149.5	-179.1	-60.7	160.9	174.4	-157.2	-11.4	110.2	F222 S223 G226 V241 D242 W265 E268 F285	F222-R228 CarbonylContact C-O 3.59Å; F222-R228 VanDerWaalsContact CA-O 3.32Å; F222-R228 WeakPolarHBondContact CA-O 3.4Å; S223-R228 PolarHBondContact N-O 2.79Å; S223-R228 PolarHBondContact OG-N 3.46Å; S223-R228 VanDerWaalsContact OG-N 3.17Å; G226-R228 VanDerWaalsContact C-N 3.31Å; G226-R228 PolarHBondContact O-N 3.43Å; R228-V241 VanDerWaalsContact CA-O 3.24Å; R228-V241 WeakPolarHBondContact CA-O 3.32Å; R228-D242 HydrophobicContact CG-CB 4.05Å; R228-D242 IonicContact CZ-OD2 3.32Å; R228-D242 IonicContact NE-OD2 2.85Å; R228-D242 PolarHBondContact NE-OD2 2.88Å; R228-D242 IonicContact NH2-OD2 2.96Å; R228-D242 PolarHBondContact NH2-OD2 2.75Å; R228-W265 HydrophobicContact CB-CH2 3.97Å; R228-W265 HydrophobicContact CB-CZ2 3.8Å; R228-E268 WeakPolarHBondContact CD-O 3.35Å; R228-E268 PolarHBondContact NH1-O 2.73Å; R228-F285 HydrophobicContact CG-CE1 4.25Å; R228-F285 PolarHBondContact NH1-O 3.31Å; R228-F285 VanDerWaalsContact NH1-O 3.12Å
229	L	98.1	Very high	96.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	128.1	175.8	-177.3	70.2	0	0	0	108.6	A168 V178 W196 Y210 I220 F222 W231 V240 V241	A168-L229 HydrophobicContact CB-CD1 3.55Å; V178-L229 HydrophobicContact CG2-CD2 3.65Å; W196-L229 HydrophobicContact CH2-CB 3.96Å; W196-L229 HydrophobicContact CH2-CD2 4.27Å; W196-L229 HydrophobicContact CZ2-CB 3.9Å; Y210-L229 HydrophobicContact CD2-CD2 4.43Å; Y210-L229 HydrophobicContact CE2-CD2 4.13Å; I220-L229 HydrophobicContact CD1-CD1 4.12Å; I220-L229 HydrophobicContact CD1-CD2 4.15Å; I220-L229 HydrophobicContact CD1-CG 4.33Å; I220-L229 HydrophobicContact CG1-CD1 3.73Å; I220-L229 HydrophobicContact CG1-CG 4.21Å; F222-L229 HydrophobicContact CD1-CB 4.39Å; F222-L229 HydrophobicContact CD1-CD1 3.9Å; F222-L229 HydrophobicContact CD2-CD1 4.38Å; F222-L229 HydrophobicContact CE1-CB 4.39Å; F222-L229 HydrophobicContact CE1-CD1 3.94Å; F222-L229 HydrophobicContact CE2-CD1 4.45Å; F222-L229 HydrophobicContact CG-CD1 4.12Å; F222-L229 HydrophobicContact CZ-CD1 4.23Å; L229-W231 HydrophobicContact CD2-CE3 4.43Å; L229-W231 HydrophobicContact CD2-CZ3 4.4Å; L229-W231 HydrophobicContact CG-CE3 4.31Å; L229-V240 CarbonylContact O-C 3.25Å; L229-V240 VanDerWaalsContact O-CA 3.3Å; L229-V240 WeakPolarHBondContact O-CA 3.47Å; L229-V241 HydrophobicContact CB-CG1 3.72Å; L229-V241 HydrophobicContact CD2-CG1 4.45Å; L229-V241 PolarHBondContact N-O 3.29Å; L229-V241 PolarHBondContact O-N 3.39Å
230	C	98.1	Very high	96.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.9	175.5	178.2	0	0	0	0	109.6	I220 R221 H239 V240 W265 I271	I220-C230 CarbonylContact C-O 3.59Å; I220-C230 WeakPolarHBondContact CA-O 3.39Å; R221-C230 PolarHBondContact N-O 2.78Å; R221-C230 PolarHBondContact O-N 3.48Å; C230-H239 CarbonylContact C-O 3.59Å; C230-H239 VanDerWaalsContact CA-O 3.23Å; C230-H239 WeakPolarHBondContact CA-O 3.45Å; C230-V240 HydrophobicContact CB-CG2 4.25Å; C230-W265 HydrophobicContact CB-CZ2 3.71Å; C230-I271 HydrophobicContact CB-CD1 4.15Å
231	W	98.3	Very high	96.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.9	164.5	65.1	93.4	0	0	0	111.7	A176 Y210 I217 C219 I220 L229 H239 V241 I250	A176-W231 HydrophobicContact CB-CD2 3.53Å; A176-W231 HydrophobicContact CB-CE3 3.79Å; A176-W231 HydrophobicContact CB-CG 3.9Å; A176-W231 HydrophobicContact CB-CH2 4.46Å; A176-W231 HydrophobicContact CB-CZ2 4.24Å; A176-W231 HydrophobicContact CB-CZ3 4.25Å; Y210-W231 AromaticContact CD2-CH2 3.8Å; Y210-W231 HydrophobicContact CD2-CH2 3.8Å; Y210-W231 AromaticContact CD2-CZ3 3.93Å; Y210-W231 HydrophobicContact CD2-CZ3 3.93Å; Y210-W231 HydrophobicContact CE2-CZ3 4.46Å; Y210-W231 AromaticContact CG-CH2 3.77Å; Y210-W231 HydrophobicContact CG-CH2 3.77Å; Y210-W231 HydrophobicContact CG-CZ2 4.38Å; Y210-W231 HydrophobicContact CG-CZ3 4.37Å; I217-W231 HydrophobicContact CD1-CG 4.39Å; I217-W231 HydrophobicContact CG2-CB 4.06Å; C219-W231 CarbonylContact O-C 3.48Å; C219-W231 WeakPolarHBondContact O-CA 3.47Å; C219-W231 WeakPolarHBondContact O-CB 3.43Å; I220-W231 HydrophobicContact CB-CB 4.17Å; I220-W231 HydrophobicContact CD1-CB 4.44Å; I220-W231 HydrophobicContact CG1-CB 4.02Å; L229-W231 HydrophobicContact CD2-CE3 4.43Å; L229-W231 HydrophobicContact CD2-CZ3 4.4Å; L229-W231 HydrophobicContact CG-CE3 4.31Å; W231-H239 AromaticContact CD1-CD2 3.44Å; W231-H239 VanDerWaalsContact CD1-CD2 3.44Å; W231-H239 HydrophobicContact CD2-CB 3.64Å; W231-H239 AromaticContact CE2-CD2 3.72Å; W231-H239 AromaticContact CE2-CG 3.55Å; W231-H239 HydrophobicContact CE3-CB 4.11Å; W231-H239 HydrophobicContact CG-CB 4.17Å; W231-H239 HydrophobicContact CH2-CB 3.85Å; W231-H239 HydrophobicContact CZ2-CB 3.33Å; W231-H239 AromaticContact CZ2-CG 3.73Å; W231-H239 HydrophobicContact CZ3-CB 4.21Å; W231-H239 PolarHBondContact N-O 2.78Å; W231-H239 AromaticContact NE1-CD2 2.99Å; W231-H239 PolarHBondContact NE1-CD2 3.44Å; W231-H239 AromaticContact NE1-CG 3.34Å; W231-H239 VanDerWaalsContact NE1-CG 3.34Å; W231-H239 AromaticContact NE1-NE2 3.69Å; W231-H239 PolarHBondContact O-N 3.21Å; W231-V241 HydrophobicContact CZ3-CG1 4.07Å; W231-I250 HydrophobicContact CH2-CD1 4.29Å; W231-I250 HydrophobicContact CH2-CG1 4.19Å; W231-I250 HydrophobicContact CH2-CG2 3.72Å; W231-I250 HydrophobicContact CZ2-CD1 4.36Å; W231-I250 HydrophobicContact CZ2-CG2 3.86Å
232	V	97.7	Very high	96.7	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.1	178.4	-56.6	0	0	0	0	111.5	I217 H218 C219 S237 V238 V273	I217-V232 WeakPolarHBondContact CA-O 3.42Å; H218-V232 PolarHBondContact N-O 2.9Å; C219-V232 HydrophobicContact CB-CG2 3.88Å; C219-V232 PolarHBondContact O-N 2.77Å; V232-S237 WeakPolarHBondContact CA-O 3.31Å; V232-V238 HydrophobicContact CG1-CB 4.44Å; V232-V238 HydrophobicContact CG1-CG1 4.17Å; V232-V238 HydrophobicContact CG1-CG2 3.96Å; V232-V273 HydrophobicContact CG1-CG1 4.07Å
233	G	93.3	Very high	96.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	160.6	-173.4	0	0	0	0	0	114.1	W216 D235 S236 S237	W216-G233 CarbonylContact O-C 3.58Å; W216-G233 VanDerWaalsContact O-CA 3.32Å; W216-G233 WeakPolarHBondContact O-CA 3.5Å; G233-D235 PolarHBondContact O-N 2.82Å; G233-S236 PolarHBondContact O-N 2.85Å; G233-S237 PolarHBondContact N-O 3.41Å; G233-S237 VanDerWaalsContact N-O 3.08Å
234	H	96.4	Very high	96.3	Very high	76 Å²	76	19.8 Å²	19.8	35%	0.352	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-5.8	172.1	-157.1	56.3	0	0	0	113.8	W216 H218 S236 P259 F276	W216-H234 HydrophobicContact CB-CB 4.09Å; W216-H234 HydrophobicContact CE3-CB 4.45Å; W216-H234 AromaticContact CE3-CD2 3.98Å; W216-H234 PolarHBondContact O-N 2.75Å; H218-H234 AromaticContact CD2-ND1 4Å; H218-H234 AromaticContact CE1-ND1 3.98Å; H218-H234 WeakPolarHBondContact NE2-CB 3.31Å; H218-H234 AromaticContact NE2-CG 3.48Å; H218-H234 AromaticContact NE2-ND1 3.05Å; H218-H234 PolarHBondContact NE2-ND1 3.41Å; H234-S236 VanDerWaalsContact C-N 3.31Å; H234-P259 WeakPolarHBondContact O-CG 3.25Å; H234-F276 AromaticContact CE1-CE2 3.97Å
235	D	94.9	Very high	96.1	Very high	38 Å²	38	22.4 Å²	22.4	20%	0.203	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	22.2	177.8	67.4	-29.9	0	0	0	112.7	G233 S237	G233-D235 PolarHBondContact O-N 2.82Å; D235-S237 VanDerWaalsContact C-N 3.28Å; D235-S237 VanDerWaalsContact CG-OG 3.27Å; D235-S237 PolarHBondContact O-N 3.28Å; D235-S237 WeakPolarHBondContact OD1-CB 3.12Å; D235-S237 PolarHBondContact OD1-OG 3.4Å; D235-S237 PolarHBondContact OD2-OG 3.01Å
236	S	95.9	Very high	95.9	Very high	21 Å²	21	23.4 Å²	23.4	15%	0.147	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	40.8	-178.5	-61.1	0	0	0	0	113.3	G233 H234 T255 F257	G233-S236 PolarHBondContact O-N 2.85Å; H234-S236 VanDerWaalsContact C-N 3.31Å; S236-T255 PolarHBondContact O-N 2.98Å; S236-T255 PolarHBondContact O-OG1 2.68Å; S236-F257 WeakPolarHBondContact CB-O 3.36Å; S236-F257 PolarHBondContact OG-O 3.01Å
237	S	95.9	Very high	95.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	149.1	-180	74.1	0	0	0	0	112.3	V232 G233 D235 H239 L253	V232-S237 WeakPolarHBondContact CA-O 3.31Å; G233-S237 PolarHBondContact N-O 3.41Å; G233-S237 VanDerWaalsContact N-O 3.08Å; D235-S237 VanDerWaalsContact C-N 3.28Å; D235-S237 VanDerWaalsContact CG-OG 3.27Å; D235-S237 PolarHBondContact O-N 3.28Å; D235-S237 WeakPolarHBondContact OD1-CB 3.12Å; D235-S237 PolarHBondContact OD1-OG 3.4Å; D235-S237 PolarHBondContact OD2-OG 3.01Å; S237-H239 PolarHBondContact OG-CD2 2.95Å; S237-H239 PolarHBondContact OG-NE2 3.44Å; S237-L253 WeakPolarHBondContact CA-O 3.43Å
238	V	96.8	Very high	95.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	128.7	168	-174.8	0	0	0	0	107.5	V232 L253 Y260 V273 L283	V232-V238 HydrophobicContact CG1-CB 4.44Å; V232-V238 HydrophobicContact CG1-CG1 4.17Å; V232-V238 HydrophobicContact CG1-CG2 3.96Å; V238-L253 PolarHBondContact N-O 2.82Å; V238-L253 PolarHBondContact O-N 2.87Å; V238-Y260 HydrophobicContact CG2-CD2 3.67Å; V238-Y260 HydrophobicContact CG2-CE2 3.59Å; V238-V273 HydrophobicContact CG2-CG1 4.26Å; V238-L283 HydrophobicContact CB-CD2 3.97Å; V238-L283 HydrophobicContact CG1-CD2 3.9Å; V238-L283 HydrophobicContact CG2-CD2 3.73Å
239	H	97	Very high	95.1	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.023	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.5	179.3	-57.3	-92.5	0	0	0	110.4	C230 W231 S237 I250 V251 T252	C230-H239 CarbonylContact C-O 3.59Å; C230-H239 VanDerWaalsContact CA-O 3.23Å; C230-H239 WeakPolarHBondContact CA-O 3.45Å; W231-H239 AromaticContact CD1-CD2 3.44Å; W231-H239 VanDerWaalsContact CD1-CD2 3.44Å; W231-H239 HydrophobicContact CD2-CB 3.64Å; W231-H239 AromaticContact CE2-CD2 3.72Å; W231-H239 AromaticContact CE2-CG 3.55Å; W231-H239 HydrophobicContact CE3-CB 4.11Å; W231-H239 HydrophobicContact CG-CB 4.17Å; W231-H239 HydrophobicContact CH2-CB 3.85Å; W231-H239 HydrophobicContact CZ2-CB 3.33Å; W231-H239 AromaticContact CZ2-CG 3.73Å; W231-H239 HydrophobicContact CZ3-CB 4.21Å; W231-H239 PolarHBondContact N-O 2.78Å; W231-H239 AromaticContact NE1-CD2 2.99Å; W231-H239 PolarHBondContact NE1-CD2 3.44Å; W231-H239 AromaticContact NE1-CG 3.34Å; W231-H239 VanDerWaalsContact NE1-CG 3.34Å; W231-H239 AromaticContact NE1-NE2 3.69Å; W231-H239 PolarHBondContact O-N 3.21Å; S237-H239 PolarHBondContact OG-CD2 2.95Å; S237-H239 PolarHBondContact OG-NE2 3.44Å; H239-I250 HydrophobicContact CB-CG2 4.07Å; H239-V251 CarbonylContact C-O 3.57Å; H239-V251 VanDerWaalsContact CA-O 3.22Å; H239-V251 WeakPolarHBondContact CA-O 3.41Å; H239-T252 VanDerWaalsContact CE1-CG2 3.44Å; H239-T252 WeakPolarHBondContact CE1-CG2 3.5Å; H239-T252 PolarHBondContact CE1-OG1 2.98Å; H239-T252 WeakPolarHBondContact ND1-CG2 3.5Å; H239-T252 PolarHBondContact ND1-OG1 2.81Å
240	V	97.5	Very high	94.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.4	175.4	-176.1	0	0	0	0	109.8	L229 C230 V251 W265 I271 F285 L291	L229-V240 CarbonylContact O-C 3.25Å; L229-V240 VanDerWaalsContact O-CA 3.3Å; L229-V240 WeakPolarHBondContact O-CA 3.47Å; C230-V240 HydrophobicContact CB-CG2 4.25Å; V240-V251 PolarHBondContact N-O 3.15Å; V240-V251 PolarHBondContact O-N 3.08Å; V240-W265 HydrophobicContact CG1-CH2 3.97Å; V240-W265 HydrophobicContact CG1-CZ2 4.03Å; V240-I271 HydrophobicContact CG2-CD1 3.83Å; V240-F285 HydrophobicContact CB-CD2 4.19Å; V240-F285 HydrophobicContact CB-CE2 4.19Å; V240-F285 HydrophobicContact CB-CG 4.41Å; V240-F285 HydrophobicContact CB-CZ 4.41Å; V240-F285 HydrophobicContact CG1-CD1 3.66Å; V240-F285 HydrophobicContact CG1-CD2 4.02Å; V240-F285 HydrophobicContact CG1-CE1 3.57Å; V240-F285 HydrophobicContact CG1-CE2 3.94Å; V240-F285 HydrophobicContact CG1-CG 3.88Å; V240-F285 HydrophobicContact CG1-CZ 3.71Å; V240-F285 HydrophobicContact CG2-CD2 4.5Å; V240-L291 HydrophobicContact CB-CD2 4.38Å; V240-L291 HydrophobicContact CG2-CD1 4.01Å; V240-L291 HydrophobicContact CG2-CD2 3.91Å
241	V	96.7	Very high	94.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.4	167.9	60.9	0	0	0	0	109.3	W196 Y210 R228 L229 W231	W196-V241 HydrophobicContact CH2-CG1 3.71Å; W196-V241 HydrophobicContact CZ2-CG1 4.47Å; Y210-V241 HydrophobicContact CE1-CG2 4.35Å; Y210-V241 HydrophobicContact CE2-CG1 3.8Å; R228-V241 VanDerWaalsContact CA-O 3.24Å; R228-V241 WeakPolarHBondContact CA-O 3.32Å; L229-V241 HydrophobicContact CB-CG1 3.72Å; L229-V241 HydrophobicContact CD2-CG1 4.45Å; L229-V241 PolarHBondContact N-O 3.29Å; L229-V241 PolarHBondContact O-N 3.39Å; W231-V241 HydrophobicContact CZ3-CG1 4.07Å
242	D	96.3	Very high	94.6	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.043	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	104.8	176.3	-167.7	-27.5	0	0	0	109.4	R228 T244 V245 D246 F285	R228-D242 HydrophobicContact CG-CB 4.05Å; R228-D242 IonicContact CZ-OD2 3.32Å; R228-D242 IonicContact NE-OD2 2.85Å; R228-D242 PolarHBondContact NE-OD2 2.88Å; R228-D242 IonicContact NH2-OD2 2.96Å; R228-D242 PolarHBondContact NH2-OD2 2.75Å; D242-T244 PolarHBondContact O-N 3.2Å; D242-T244 WeakPolarHBondContact OD1-CB 3.43Å; D242-T244 PolarHBondContact OD1-N 2.79Å; D242-T244 PolarHBondContact OD1-OG1 3.45Å; D242-V245 HydrophobicContact CB-CB 4.46Å; D242-V245 HydrophobicContact CB-CG2 4.23Å; D242-V245 PolarHBondContact O-N 3.01Å; D242-V245 VanDerWaalsContact O-N 3.12Å; D242-D246 CarbonylContact O-C 3.52Å; D242-D246 PolarHBondContact O-N 2.7Å; D242-F285 HydrophobicContact CB-CE1 4.26Å; D242-F285 HydrophobicContact CB-CZ 4.32Å
243	S	94.5	Very high	94.5	Very high	12 Å²	12	37 Å²	37	8%	0.084	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	-177.4	61.9	0	0	0	0	113.6	A195 W196 N227 V245	A195-S243 WeakPolarHBondContact CB-OG 3.43Å; W196-S243 PolarHBondContact NE1-OG 2.55Å; N227-S243 WeakPolarHBondContact O-CB 3.44Å; N227-S243 PolarHBondContact O-N 2.64Å; N227-S243 PolarHBondContact O-OG 2.77Å; S243-V245 VanDerWaalsContact C-N 3.32Å
244	T	93.8	Very high	94.6	Very high	82 Å²	82	44.6 Å²	44.6	50%	0.503	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-18.4	175.7	65.9	0	0	0	0	112.8	A195 N227 D242	A195-T244 HydrophobicContact CB-CG2 3.91Å; N227-T244 HydrophobicContact CB-CG2 3.71Å; D242-T244 PolarHBondContact O-N 3.2Å; D242-T244 WeakPolarHBondContact OD1-CB 3.43Å; D242-T244 PolarHBondContact OD1-N 2.79Å; D242-T244 PolarHBondContact OD1-OG1 3.45Å
245	V	92.3	Very high	94.5	Very high	96 Å²	96	41.8 Å²	41.8	58%	0.582	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100	-62.4	177.9	-177.7	0	0	0	0	109.7	D242 S243 P288	D242-V245 HydrophobicContact CB-CB 4.46Å; D242-V245 HydrophobicContact CB-CG2 4.23Å; D242-V245 PolarHBondContact O-N 3.01Å; D242-V245 VanDerWaalsContact O-N 3.12Å; S243-V245 VanDerWaalsContact C-N 3.32Å; V245-P288 HydrophobicContact CG1-CG 4.25Å
246	D	90.6	Very high	94.5	Very high	68 Å²	68	46 Å²	46	36%	0.364	27%	0.27	S	S	.	.			trans	-162.1	114.3	179.8	179.9	0.8	0	0	0	109.3	D242 S248 S249	D242-D246 CarbonylContact O-C 3.52Å; D242-D246 PolarHBondContact O-N 2.7Å; D246-S248 VanDerWaalsContact CG-OG 3.23Å; D246-S248 PolarHBondContact O-N 3.47Å; D246-S248 VanDerWaalsContact O-N 3.12Å; D246-S248 WeakPolarHBondContact OD1-CB 3.32Å; D246-S248 PolarHBondContact OD1-N 3.32Å; D246-S248 PolarHBondContact OD1-OG 3.05Å; D246-S248 PolarHBondContact OD2-OG 2.82Å; D246-S248 VanDerWaalsContact OD2-OG 3.07Å; D246-S249 PolarHBondContact O-N 3.08Å
247	V	91.8	Very high	94.5	Very high	59 Å²	59	47.2 Å²	47.2	36%	0.358	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-15.3	178.8	78.3	0	0	0	0	112.8	W196 Y210	W196-V247 HydrophobicContact CE3-CG2 3.56Å; W196-V247 HydrophobicContact CH2-CG2 4.39Å; W196-V247 HydrophobicContact CZ3-CG2 3.44Å; W196-V247 VanDerWaalsContact CZ3-CG2 3.44Å; Y210-V247 WeakPolarHBondContact CE1-O 2.95Å; Y210-V247 VanDerWaalsContact CZ-O 3.25Å; Y210-V247 WeakPolarHBondContact OH-CG2 3.38Å; Y210-V247 PolarHBondContact OH-O 3.11Å
248	S	90.1	Very high	94.6	Very high	84 Å²	84	51.6 Å²	51.6	59%	0.587	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-13.6	179.2	71.6	0	0	0	0	114.1	D246 I250	D246-S248 VanDerWaalsContact CG-OG 3.23Å; D246-S248 PolarHBondContact O-N 3.47Å; D246-S248 VanDerWaalsContact O-N 3.12Å; D246-S248 WeakPolarHBondContact OD1-CB 3.32Å; D246-S248 PolarHBondContact OD1-N 3.32Å; D246-S248 PolarHBondContact OD1-OG 3.05Å; D246-S248 PolarHBondContact OD2-OG 2.82Å; D246-S248 VanDerWaalsContact OD2-OG 3.07Å; S248-I250 PolarHBondContact O-N 2.92Å
249	S	91.4	Very high	94.6	Very high	50 Å²	50	52.5 Å²	52.5	35%	0.35	30%	0.301	S	S	.	.			trans	-91.7	100	-172.3	-171.1	0	0	0	0	112	D246	D246-S249 PolarHBondContact O-N 3.08Å
250	I	93.8	Very high	94.6	Very high	57 Å²	57	52.3 Å²	52.3	29%	0.292	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	126.9	176.4	-50.2	168.6	0	0	0	109.8	Y210 W231 H239 S248	Y210-I250 HydrophobicContact CD1-CD1 3.61Å; Y210-I250 HydrophobicContact CD1-CG1 3.68Å; Y210-I250 HydrophobicContact CE1-CG1 4.17Å; Y210-I250 HydrophobicContact CG-CD1 4.01Å; Y210-I250 HydrophobicContact CG-CG1 4.28Å; W231-I250 HydrophobicContact CH2-CD1 4.29Å; W231-I250 HydrophobicContact CH2-CG1 4.19Å; W231-I250 HydrophobicContact CH2-CG2 3.72Å; W231-I250 HydrophobicContact CZ2-CD1 4.36Å; W231-I250 HydrophobicContact CZ2-CG2 3.86Å; H239-I250 HydrophobicContact CB-CG2 4.07Å; S248-I250 PolarHBondContact O-N 2.92Å
251	V	94.8	Very high	94.6	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	129.4	167.5	-170.4	0	0	0	0	108.5	H239 V240 F285 P288 L291	H239-V251 CarbonylContact C-O 3.57Å; H239-V251 VanDerWaalsContact CA-O 3.22Å; H239-V251 WeakPolarHBondContact CA-O 3.41Å; V240-V251 PolarHBondContact N-O 3.15Å; V240-V251 PolarHBondContact O-N 3.08Å; V251-F285 HydrophobicContact CB-CE2 4.46Å; V251-F285 HydrophobicContact CG2-CE2 4.04Å; V251-P288 WeakPolarHBondContact CG1-O 3.44Å; V251-P288 HydrophobicContact CG2-CB 3.89Å; V251-P288 WeakPolarHBondContact CG2-O 3.32Å; V251-L291 HydrophobicContact CB-CD2 4.42Å; V251-L291 HydrophobicContact CG1-CB 3.7Å; V251-L291 HydrophobicContact CG1-CD2 3.95Å; V251-L291 HydrophobicContact CG1-CG 4.5Å
252	T	94.8	Very high	94.7	Very high	70 Å²	70	53.8 Å²	53.8	43%	0.429	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124.5	179.6	-57.3	0	0	0	0	110.1	H239 K254	H239-T252 VanDerWaalsContact CE1-CG2 3.44Å; H239-T252 WeakPolarHBondContact CE1-CG2 3.5Å; H239-T252 PolarHBondContact CE1-OG1 2.98Å; H239-T252 WeakPolarHBondContact ND1-CG2 3.5Å; H239-T252 PolarHBondContact ND1-OG1 2.81Å; T252-K254 HydrophobicContact CG2-CG 4.37Å
253	L	95.5	Very high	94.8	Very high	33 Å²	33	53.4 Å²	53.4	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.9	169.8	173.8	65.4	0	0	0	108.5	S237 V238 T255 L283 L291 V293	S237-L253 WeakPolarHBondContact CA-O 3.43Å; V238-L253 PolarHBondContact N-O 2.82Å; V238-L253 PolarHBondContact O-N 2.87Å; L253-T255 HydrophobicContact CD2-CG2 4.21Å; L253-T255 HydrophobicContact CG-CG2 3.96Å; L253-L283 HydrophobicContact CD2-CD2 3.82Å; L253-L283 HydrophobicContact CD2-CG 4.3Å; L253-L291 HydrophobicContact CB-CD2 3.63Å; L253-L291 HydrophobicContact CB-CG 3.79Å; L253-L291 HydrophobicContact CD2-CG 4.11Å; L253-V293 HydrophobicContact CD2-CG2 4.04Å
254	K	95.2	Very high	95	Very high	159 Å²	159	53.4 Å²	53.4	69%	0.691	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	133.5	167.3	-68.4	-170.1	175	-172	0	109.2	T252	T252-K254 HydrophobicContact CG2-CG 4.37Å
255	T	94.9	Very high	95.2	Very high	17 Å²	17	49.8 Å²	49.8	10%	0.104	28%	0.284	C	S	.	.			trans	-115.1	155	-178.4	76.1	0	0	0	0	110.7	S236 L253 F257 Y260 V293	S236-T255 PolarHBondContact O-N 2.98Å; S236-T255 PolarHBondContact O-OG1 2.68Å; L253-T255 HydrophobicContact CD2-CG2 4.21Å; L253-T255 HydrophobicContact CG-CG2 3.96Å; T255-F257 HydrophobicContact CG2-CD2 4.43Å; T255-F257 PolarHBondContact O-N 2.88Å; T255-F257 PolarHBondContact OG1-N 2.74Å; T255-Y260 HydrophobicContact CG2-CE2 4.04Å; T255-Y260 WeakPolarHBondContact CG2-OH 3.32Å; T255-Y260 PolarHBondContact OG1-OH 2.83Å; T255-V293 HydrophobicContact CG2-CG2 4.24Å
256	P	95.8	Very high	95.4	Very high	126 Å²	126	45.2 Å²	45.2	82%	0.818	26%	0.256	S	S	*	.	S	Bend	trans	-78.9	5.6	174.3	34.7	-37	0	0	0	112.7
257	F	95.6	Very high	95.6	Very high	47 Å²	47	42.2 Å²	42.2	21%	0.206	24%	0.24	C	C	.	.	S	Bend	trans	-87	169.1	-176	-59.4	-59.6	0	0	0	110.8	S236 T255 Y260 D277 V293	S236-F257 WeakPolarHBondContact CB-O 3.36Å; S236-F257 PolarHBondContact OG-O 3.01Å; T255-F257 HydrophobicContact CG2-CD2 4.43Å; T255-F257 PolarHBondContact O-N 2.88Å; T255-F257 PolarHBondContact OG1-N 2.74Å; F257-Y260 WeakPolarHBondContact CD2-OH 3.19Å; F257-D277 WeakPolarHBondContact CB-OD2 3.46Å; F257-V293 HydrophobicContact CE2-CG2 4.38Å
258	L	97	Very high	95.8	Very high	92 Å²	92	42.1 Å²	42.1	48%	0.482	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-69.8	166.2	169.5	-61.7	176.7	0	0	0	110.1	F276 D277	L258-F276 HydrophobicContact CB-CB 3.65Å; L258-F276 HydrophobicContact CD1-CB 4.02Å; L258-F276 HydrophobicContact CG-CB 4.5Å; L258-D277 WeakPolarHBondContact CA-OD2 3.26Å; L258-D277 WeakPolarHBondContact CB-OD2 3.21Å; L258-D277 PolarHBondContact N-OD2 2.93Å
259	P	97.5	Very high	96	Very high	18 Å²	18	39.1 Å²	39.1	12%	0.117	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-62	148.2	-172.7	-24	34.1	0	0	0	113.7	H234 F276	H234-P259 WeakPolarHBondContact O-CG 3.25Å; P259-F276 HydrophobicContact CB-CD2 3.86Å; P259-F276 HydrophobicContact CB-CE2 4.18Å; P259-F276 HydrophobicContact CG-CD2 4.23Å; P259-F276 WeakPolarHBondContact O-CD2 3.29Å; P259-F276 PolarHBondContact O-N 2.9Å; P259-F276 VanDerWaalsContact O-N 3.13Å
260	Y	97.2	Very high	96.2	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.8	172.7	-53.8	-67.6	0	0	0	109.9	H218 V238 T255 F257 V273 G274 Q281	H218-Y260 PolarHBondContact CD2-O 2.81Å; V238-Y260 HydrophobicContact CG2-CD2 3.67Å; V238-Y260 HydrophobicContact CG2-CE2 3.59Å; T255-Y260 HydrophobicContact CG2-CE2 4.04Å; T255-Y260 WeakPolarHBondContact CG2-OH 3.32Å; T255-Y260 PolarHBondContact OG1-OH 2.83Å; F257-Y260 WeakPolarHBondContact CD2-OH 3.19Å; Y260-V273 HydrophobicContact CD1-CB 3.86Å; Y260-V273 HydrophobicContact CD1-CG2 3.62Å; Y260-V273 HydrophobicContact CD2-CG2 4.41Å; Y260-V273 HydrophobicContact CE1-CB 4.16Å; Y260-V273 HydrophobicContact CE1-CG2 3.39Å; Y260-V273 HydrophobicContact CE2-CG2 4.23Å; Y260-V273 HydrophobicContact CG-CB 4.05Å; Y260-V273 HydrophobicContact CG-CG2 4.12Å; Y260-G274 CarbonylContact C-O 3.53Å; Y260-G274 WeakPolarHBondContact CA-O 3.33Å; Y260-Q281 PolarHBondContact OH-OE1 2.97Å
261	T	97.5	Very high	96.4	Very high	26 Å²	26	34.1 Å²	34.1	16%	0.16	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-25.8	177.8	55.3	0	0	0	0	111.3	H218 C219 G274 G275 F276 I337	H218-T261 WeakPolarHBondContact CB-O 3.23Å; C219-T261 WeakPolarHBondContact CB-O 3.42Å; T261-G274 PolarHBondContact N-O 3.46Å; T261-G274 PolarHBondContact OG1-O 2.85Å; T261-G275 VanDerWaalsContact OG1-CA 3.31Å; T261-G275 WeakPolarHBondContact OG1-CA 3.49Å; T261-F276 HydrophobicContact CG2-CD2 4.18Å; T261-F276 HydrophobicContact CG2-CE2 3.79Å; T261-F276 HydrophobicContact CG2-CZ 4.19Å; T261-I337 PolarHBondContact OG1-O 2.83Å
262	S	98.2	Very high	96.6	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.035	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.1	-172.4	-176.6	0	0	0	0	112.2	V273 G274 I340	S262-V273 WeakPolarHBondContact O-CA 3.24Å; S262-G274 PolarHBondContact N-O 2.97Å; S262-G274 VanDerWaalsContact N-O 3.15Å; S262-G274 PolarHBondContact O-N 2.86Å; S262-G274 VanDerWaalsContact O-N 3.08Å; S262-I340 WeakPolarHBondContact OG-CB 3.43Å; S262-I340 WeakPolarHBondContact OG-CG1 3.32Å; S262-I340 PolarHBondContact OG-N 2.9Å
263	S	98.3	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	153.6	177.8	68.1	0	0	0	0	111.3	C219 R221 V272	C219-S263 PolarHBondContact SG-N 2.74Å; R221-S263 WeakPolarHBondContact CG-O 3.32Å; S263-V272 CarbonylContact C-O 3.59Å; S263-V272 VanDerWaalsContact CA-O 3.24Å; S263-V272 WeakPolarHBondContact CA-O 3.24Å
264	L	98.4	Very high	96.9	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.058	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	126.4	175.7	177.7	66.6	0	0	0	109.6	V266 I271 V272 I340 E342 F353	L264-V266 HydrophobicContact CD2-CG1 4.18Å; L264-V266 HydrophobicContact CG-CG1 4.24Å; L264-V266 PolarHBondContact O-N 2.87Å; L264-I271 CarbonylContact O-C 3.54Å; L264-I271 WeakPolarHBondContact O-CA 3.44Å; L264-V272 PolarHBondContact N-O 2.97Å; L264-V272 PolarHBondContact O-N 3.07Å; L264-I340 HydrophobicContact CB-CB 4.48Å; L264-I340 HydrophobicContact CB-CG2 3.79Å; L264-I340 HydrophobicContact CD2-CG2 4.08Å; L264-E342 HydrophobicContact CD1-CB 4.4Å; L264-E342 HydrophobicContact CD2-CB 4.36Å; L264-F353 HydrophobicContact CD2-CB 3.69Å
265	W	98	Very high	97	Very high	7 Å²	7	20.9 Å²	20.9	3%	0.027	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.9	165	-72.7	96	0	0	0	109.4	R221 R228 C230 V240 S267 E268 I271 F285	R221-W265 PolarHBondContact O-NE1 3.33Å; R228-W265 HydrophobicContact CB-CH2 3.97Å; R228-W265 HydrophobicContact CB-CZ2 3.8Å; C230-W265 HydrophobicContact CB-CZ2 3.71Å; V240-W265 HydrophobicContact CG1-CH2 3.97Å; V240-W265 HydrophobicContact CG1-CZ2 4.03Å; W265-S267 VanDerWaalsContact CE3-O 3.24Å; W265-E268 WeakPolarHBondContact CZ3-O 3.47Å; W265-I271 HydrophobicContact CD2-CD1 4.29Å; W265-I271 HydrophobicContact CD2-CG1 3.6Å; W265-I271 HydrophobicContact CE3-CD1 4.1Å; W265-I271 HydrophobicContact CE3-CG1 3.37Å; W265-I271 HydrophobicContact CG-CG1 4.34Å; W265-I271 HydrophobicContact CH2-CD1 3.66Å; W265-I271 HydrophobicContact CH2-CG1 3.91Å; W265-I271 HydrophobicContact CZ2-CD1 3.83Å; W265-I271 HydrophobicContact CZ2-CG1 4.09Å; W265-I271 HydrophobicContact CZ3-CD1 3.79Å; W265-I271 HydrophobicContact CZ3-CG1 3.54Å; W265-F285 HydrophobicContact CH2-CB 4.29Å; W265-F285 AromaticContact CH2-CD1 3.91Å; W265-F285 HydrophobicContact CH2-CD1 3.91Å; W265-F285 HydrophobicContact CH2-CG 4.4Å; W265-F285 HydrophobicContact CZ3-CB 4.39Å; W265-F285 HydrophobicContact CZ3-CD1 4.46Å
266	V	96.8	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-15.8	177.8	-62.6	0	0	0	0	112.3	L264 S270 V272 L282 E349 V350 L367	L264-V266 HydrophobicContact CD2-CG1 4.18Å; L264-V266 HydrophobicContact CG-CG1 4.24Å; L264-V266 PolarHBondContact O-N 2.87Å; V266-S270 WeakPolarHBondContact CG2-O 3.37Å; V266-S270 PolarHBondContact N-O 3.07Å; V266-V272 HydrophobicContact CG1-CB 4.25Å; V266-V272 HydrophobicContact CG1-CG2 3.63Å; V266-V272 HydrophobicContact CG2-CG2 4.19Å; V266-L282 HydrophobicContact CG2-CD1 4.28Å; V266-E349 WeakPolarHBondContact O-CA 3.33Å; V266-V350 HydrophobicContact CB-CB 3.9Å; V266-V350 HydrophobicContact CB-CG2 4.34Å; V266-V350 HydrophobicContact CG1-CB 4.04Å; V266-V350 HydrophobicContact CG1-CG1 4.26Å; V266-V350 HydrophobicContact CG1-CG2 4.42Å; V266-V350 PolarHBondContact O-N 3.21Å; V266-L367 HydrophobicContact CB-CD1 3.7Å; V266-L367 HydrophobicContact CG1-CD1 3.57Å; V266-L367 HydrophobicContact CG2-CD1 4.04Å
267	S	95.5	Very high	97.1	Very high	4 Å²	4	19.8 Å²	19.8	3%	0.028	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-174.5	164.4	74.7	0	0	0	0	108.8	W265 S269 S270	W265-S267 VanDerWaalsContact CE3-O 3.24Å; S267-S269 PolarHBondContact O-N 2.84Å; S267-S269 PolarHBondContact OG-N 3.45Å; S267-S269 VanDerWaalsContact OG-N 3.14Å; S267-S270 PolarHBondContact N-O 3.15Å; S267-S270 WeakPolarHBondContact OG-CB 3.21Å; S267-S270 PolarHBondContact OG-N 2.82Å; S267-S270 VanDerWaalsContact OG-N 3.17Å
268	E	94.9	Very high	97.2	Very high	57 Å²	57	17.9 Å²	17.9	27%	0.266	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.4	171.3	-74.1	-56.7	130.9	0	0	114.1	S223 P224 S225 R228 W265	S223-E268 WeakPolarHBondContact CB-OE2 3.43Å; S223-E268 PolarHBondContact OG-OE2 3.49Å; P224-E268 WeakPolarHBondContact CA-OE1 3.31Å; P224-E268 VanDerWaalsContact CB-OE1 3.23Å; P224-E268 WeakPolarHBondContact CB-OE1 3.47Å; P224-E268 WeakPolarHBondContact CD-OE1 3.46Å; S225-E268 WeakPolarHBondContact CB-OE1 3.4Å; S225-E268 PolarHBondContact N-OE1 2.9Å; S225-E268 PolarHBondContact OG-OE1 2.8Å; S225-E268 PolarHBondContact OG-OE2 2.9Å; R228-E268 WeakPolarHBondContact CD-O 3.35Å; R228-E268 PolarHBondContact NH1-O 2.73Å; W265-E268 WeakPolarHBondContact CZ3-O 3.47Å
269	S	95.1	Very high	97.1	Very high	22 Å²	22	13.7 Å²	13.7	15%	0.154	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.9	9.1	-171.2	64.9	0	0	0	0	113.9	S267 S284 F285	S267-S269 PolarHBondContact O-N 2.84Å; S267-S269 PolarHBondContact OG-N 3.45Å; S267-S269 VanDerWaalsContact OG-N 3.14Å; S269-S284 CarbonylContact O-C 3.59Å; S269-S284 WeakPolarHBondContact O-CA 3.37Å; S269-S284 PolarHBondContact O-OG 3.26Å; S269-F285 WeakPolarHBondContact CA-O 3.29Å; S269-F285 WeakPolarHBondContact CB-O 3.41Å; S269-F285 PolarHBondContact O-N 2.66Å
270	S	96.5	Very high	97.1	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.014	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	134.1	-177.1	-62.5	0	0	0	0	110.8	F3 V266 S267 L283	F3-S270 VanDerWaalsContact CD2-OG 3.24Å; F3-S270 WeakPolarHBondContact CD2-OG 3.47Å; V266-S270 WeakPolarHBondContact CG2-O 3.37Å; V266-S270 PolarHBondContact N-O 3.07Å; S267-S270 PolarHBondContact N-O 3.15Å; S267-S270 WeakPolarHBondContact OG-CB 3.21Å; S267-S270 PolarHBondContact OG-N 2.82Å; S267-S270 VanDerWaalsContact OG-N 3.17Å; S270-L283 WeakPolarHBondContact CA-O 3.4Å
271	I	97.9	Very high	97	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.6	-175.4	-56.2	156.5	0	0	0	107.2	C230 V240 L264 W265 V273 L283	C230-I271 HydrophobicContact CB-CD1 4.15Å; V240-I271 HydrophobicContact CG2-CD1 3.83Å; L264-I271 CarbonylContact O-C 3.54Å; L264-I271 WeakPolarHBondContact O-CA 3.44Å; W265-I271 HydrophobicContact CD2-CD1 4.29Å; W265-I271 HydrophobicContact CD2-CG1 3.6Å; W265-I271 HydrophobicContact CE3-CD1 4.1Å; W265-I271 HydrophobicContact CE3-CG1 3.37Å; W265-I271 HydrophobicContact CG-CG1 4.34Å; W265-I271 HydrophobicContact CH2-CD1 3.66Å; W265-I271 HydrophobicContact CH2-CG1 3.91Å; W265-I271 HydrophobicContact CZ2-CD1 3.83Å; W265-I271 HydrophobicContact CZ2-CG1 4.09Å; W265-I271 HydrophobicContact CZ3-CD1 3.79Å; W265-I271 HydrophobicContact CZ3-CG1 3.54Å; I271-V273 HydrophobicContact CG2-CG1 3.9Å; I271-L283 HydrophobicContact CB-CB 4.38Å; I271-L283 PolarHBondContact N-O 3.17Å; I271-L283 PolarHBondContact O-N 2.77Å
272	V	98.1	Very high	97	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.8	164.8	176.4	0	0	0	0	108.5	S263 L264 V266 P280 Q281 L282 L297 I340 F353 L367	S263-V272 CarbonylContact C-O 3.59Å; S263-V272 VanDerWaalsContact CA-O 3.24Å; S263-V272 WeakPolarHBondContact CA-O 3.24Å; L264-V272 PolarHBondContact N-O 2.97Å; L264-V272 PolarHBondContact O-N 3.07Å; V266-V272 HydrophobicContact CG1-CB 4.25Å; V266-V272 HydrophobicContact CG1-CG2 3.63Å; V266-V272 HydrophobicContact CG2-CG2 4.19Å; V272-P280 HydrophobicContact CG1-CB 4.15Å; V272-Q281 CarbonylContact C-O 3.56Å; V272-Q281 VanDerWaalsContact CA-O 3.32Å; V272-Q281 WeakPolarHBondContact CA-O 3.42Å; V272-L282 HydrophobicContact CG2-CD1 4.13Å; V272-L297 HydrophobicContact CG1-CD1 4.06Å; V272-L297 HydrophobicContact CG2-CD1 3.98Å; V272-I340 HydrophobicContact CG1-CD1 4.21Å; V272-F353 HydrophobicContact CG1-CD2 4.35Å; V272-F353 HydrophobicContact CG1-CE1 4.28Å; V272-F353 HydrophobicContact CG1-CE2 3.74Å; V272-F353 HydrophobicContact CG1-CZ 3.71Å; V272-F353 HydrophobicContact CG2-CD1 4.39Å; V272-F353 HydrophobicContact CG2-CE1 4.03Å; V272-F353 HydrophobicContact CG2-CZ 4.28Å; V272-L367 HydrophobicContact CG2-CD1 4.47Å
273	V	98.4	Very high	96.9	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	155.2	174.9	-59.2	0	0	0	0	110.3	V232 V238 Y260 S262 I271 P280 Q281 L283	V232-V273 HydrophobicContact CG1-CG1 4.07Å; V238-V273 HydrophobicContact CG2-CG1 4.26Å; Y260-V273 HydrophobicContact CD1-CB 3.86Å; Y260-V273 HydrophobicContact CD1-CG2 3.62Å; Y260-V273 HydrophobicContact CD2-CG2 4.41Å; Y260-V273 HydrophobicContact CE1-CB 4.16Å; Y260-V273 HydrophobicContact CE1-CG2 3.39Å; Y260-V273 HydrophobicContact CE2-CG2 4.23Å; Y260-V273 HydrophobicContact CG-CB 4.05Å; Y260-V273 HydrophobicContact CG-CG2 4.12Å; S262-V273 WeakPolarHBondContact O-CA 3.24Å; I271-V273 HydrophobicContact CG2-CG1 3.9Å; V273-P280 CarbonylContact O-C 3.59Å; V273-P280 VanDerWaalsContact O-CA 3.32Å; V273-P280 WeakPolarHBondContact O-CA 3.34Å; V273-Q281 HydrophobicContact CG2-CB 3.95Å; V273-Q281 PolarHBondContact N-O 3.35Å; V273-Q281 PolarHBondContact O-N 3.34Å; V273-L283 HydrophobicContact CG1-CD1 4.43Å; V273-L283 HydrophobicContact CG1-CD2 4.38Å; V273-L283 HydrophobicContact CG2-CD1 3.52Å
274	G	97.5	Very high	96.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	162.5	177.3	0	0	0	0	0	111	Y260 T261 S262	Y260-G274 CarbonylContact C-O 3.53Å; Y260-G274 WeakPolarHBondContact CA-O 3.33Å; T261-G274 PolarHBondContact N-O 3.46Å; T261-G274 PolarHBondContact OG1-O 2.85Å; S262-G274 PolarHBondContact N-O 2.97Å; S262-G274 VanDerWaalsContact N-O 3.15Å; S262-G274 PolarHBondContact O-N 2.86Å; S262-G274 VanDerWaalsContact O-N 3.08Å
275	G	97.7	Very high	96.7	Very high	2 Å²	2	11 Å²	11	2%	0.021	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-130.7	-179	0	0	0	0	0	112.9	T261 D277 C278 I337	T261-G275 VanDerWaalsContact OG1-CA 3.31Å; T261-G275 WeakPolarHBondContact OG1-CA 3.49Å; G275-D277 VanDerWaalsContact C-N 3.27Å; G275-D277 PolarHBondContact O-N 2.85Å; G275-C278 PolarHBondContact O-N 3.08Å; G275-I337 PolarHBondContact O-N 2.97Å; G275-I337 VanDerWaalsContact O-N 3.12Å
276	F	97.6	Very high	96.4	Very high	78 Å²	78	14.8 Å²	14.8	34%	0.342	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.5	-169.3	-69.5	-76.7	0	0	0	114.4	H234 L258 P259 T261 C278 S336	H234-F276 AromaticContact CE1-CE2 3.97Å; L258-F276 HydrophobicContact CB-CB 3.65Å; L258-F276 HydrophobicContact CD1-CB 4.02Å; L258-F276 HydrophobicContact CG-CB 4.5Å; P259-F276 HydrophobicContact CB-CD2 3.86Å; P259-F276 HydrophobicContact CB-CE2 4.18Å; P259-F276 HydrophobicContact CG-CD2 4.23Å; P259-F276 WeakPolarHBondContact O-CD2 3.29Å; P259-F276 PolarHBondContact O-N 2.9Å; P259-F276 VanDerWaalsContact O-N 3.13Å; T261-F276 HydrophobicContact CG2-CD2 4.18Å; T261-F276 HydrophobicContact CG2-CE2 3.79Å; T261-F276 HydrophobicContact CG2-CZ 4.19Å; F276-C278 PolarHBondContact O-N 3.22Å; F276-C278 PolarHBondContact O-SG 2.94Å; F276-C278 VanDerWaalsContact O-SG 3.4Å; F276-S336 WeakPolarHBondContact CD1-OG 3.31Å
277	D	96.3	Very high	96	Very high	42 Å²	42	16.6 Å²	16.6	23%	0.225	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-4.7	171.4	-73.5	-88.6	0	0	0	114.2	F257 L258 G275 C279	F257-D277 WeakPolarHBondContact CB-OD2 3.46Å; L258-D277 WeakPolarHBondContact CA-OD2 3.26Å; L258-D277 WeakPolarHBondContact CB-OD2 3.21Å; L258-D277 PolarHBondContact N-OD2 2.93Å; G275-D277 VanDerWaalsContact C-N 3.27Å; G275-D277 PolarHBondContact O-N 2.85Å; D277-C279 PolarHBondContact O-N 3.03Å
278	C	96.6	Very high	95.5	Very high	7 Å²	7	18.6 Å²	18.6	5%	0.047	10%	0.099	C	C	.	.	S	Bend	trans	60.6	15.7	-179.9	-44.2	0	0	0	0	113.6	G275 F276 L329 T331 H333 N335	G275-C278 PolarHBondContact O-N 3.08Å; F276-C278 PolarHBondContact O-N 3.22Å; F276-C278 PolarHBondContact O-SG 2.94Å; F276-C278 VanDerWaalsContact O-SG 3.4Å; C278-L329 HydrophobicContact CB-CD1 4.03Å; C278-L329 VanDerWaalsContact SG-CD1 3.56Å; C278-T331 WeakPolarHBondContact O-CB 3.3Å; C278-H333 HydrophobicContact CB-CB 4.22Å; C278-N335 WeakPolarHBondContact CB-O 3.13Å; C278-N335 PolarHBondContact SG-O 2.93Å
279	C	95.5	Very high	95.1	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.027	13%	0.127	C	C	.	.	S	Bend	trans	-133.9	118.3	-172.5	-179	0	0	0	0	109.9	D277 T331	D277-C279 PolarHBondContact O-N 3.03Å; C279-T331 HydrophobicContact CB-CG2 3.81Å
280	P	96.9	Very high	95	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.			trans	-68.8	141.4	173.8	25.5	-27.3	0	0	0	110.8	V272 V273 L297 I337 F353 W365	V272-P280 HydrophobicContact CG1-CB 4.15Å; V273-P280 CarbonylContact O-C 3.59Å; V273-P280 VanDerWaalsContact O-CA 3.32Å; V273-P280 WeakPolarHBondContact O-CA 3.34Å; P280-L297 HydrophobicContact CB-CB 4.44Å; P280-L297 HydrophobicContact CB-CD1 4.34Å; P280-L297 HydrophobicContact CG-CB 4.14Å; P280-L297 WeakPolarHBondContact O-CB 3.42Å; P280-L297 PolarHBondContact O-N 3.34Å; P280-I337 HydrophobicContact CB-CD1 4.36Å; P280-I337 HydrophobicContact CG-CD1 4.49Å; P280-F353 HydrophobicContact CB-CE2 4.24Å; P280-F353 HydrophobicContact CB-CZ 4.29Å; P280-W365 HydrophobicContact CG-CD2 4.05Å; P280-W365 HydrophobicContact CG-CE3 4.19Å; P280-W365 HydrophobicContact CG-CH2 3.73Å; P280-W365 HydrophobicContact CG-CZ2 3.56Å; P280-W365 HydrophobicContact CG-CZ3 4.05Å
281	Q	95.8	Very high	94.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.8	-178.3	-54.6	-179.1	12.3	0	0	109.9	Y260 V272 V273 L283 C295 K296	Y260-Q281 PolarHBondContact OH-OE1 2.97Å; V272-Q281 CarbonylContact C-O 3.56Å; V272-Q281 VanDerWaalsContact CA-O 3.32Å; V272-Q281 WeakPolarHBondContact CA-O 3.42Å; V273-Q281 HydrophobicContact CG2-CB 3.95Å; V273-Q281 PolarHBondContact N-O 3.35Å; V273-Q281 PolarHBondContact O-N 3.34Å; Q281-L283 HydrophobicContact CB-CD1 4.24Å; Q281-C295 WeakPolarHBondContact CA-O 3.23Å; Q281-K296 HydrophobicContact CG-CG 4.31Å
282	L	96.4	Very high	94.8	Very high	4 Å²	4	33.4 Å²	33.4	2%	0.021	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.4	175.6	177.9	67.8	0	0	0	109.6	F3 V266 V272 V294 C295 L297	F3-L282 HydrophobicContact CB-CD2 3.68Å; V266-L282 HydrophobicContact CG2-CD1 4.28Å; V272-L282 HydrophobicContact CG2-CD1 4.13Å; L282-V294 HydrophobicContact CB-CB 4.42Å; L282-V294 HydrophobicContact CD2-CB 4.15Å; L282-V294 HydrophobicContact CD2-CG1 4.14Å; L282-V294 HydrophobicContact CG-CB 4.16Å; L282-V294 HydrophobicContact CG-CG2 4.36Å; L282-V294 WeakPolarHBondContact O-CB 3.12Å; L282-V294 PolarHBondContact O-N 3.48Å; L282-C295 PolarHBondContact N-O 3.12Å; L282-C295 PolarHBondContact O-N 3.03Å; L282-L297 HydrophobicContact CB-CD1 4.3Å; L282-L297 HydrophobicContact CB-CD2 4.05Å; L282-L297 HydrophobicContact CB-CG 4.16Å
283	L	97	Very high	94.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.1	174.3	-79.3	63.2	0	0	0	109.6	V238 L253 S270 I271 V273 Q281 Y292 V293	V238-L283 HydrophobicContact CB-CD2 3.97Å; V238-L283 HydrophobicContact CG1-CD2 3.9Å; V238-L283 HydrophobicContact CG2-CD2 3.73Å; L253-L283 HydrophobicContact CD2-CD2 3.82Å; L253-L283 HydrophobicContact CD2-CG 4.3Å; S270-L283 WeakPolarHBondContact CA-O 3.4Å; I271-L283 HydrophobicContact CB-CB 4.38Å; I271-L283 PolarHBondContact N-O 3.17Å; I271-L283 PolarHBondContact O-N 2.77Å; V273-L283 HydrophobicContact CG1-CD1 4.43Å; V273-L283 HydrophobicContact CG1-CD2 4.38Å; V273-L283 HydrophobicContact CG2-CD1 3.52Å; Q281-L283 HydrophobicContact CB-CD1 4.24Å; L283-Y292 VanDerWaalsContact CA-O 3.31Å; L283-Y292 WeakPolarHBondContact CA-O 3.32Å; L283-V293 HydrophobicContact CD1-CG2 4.16Å; L283-V293 HydrophobicContact CG-CG2 4.22Å
284	S	96.3	Very high	94.5	Very high	2 Å²	2	38 Å²	38	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.1	170.6	-168.5	0	0	0	0	110.2	S269 L291 Y292	S269-S284 CarbonylContact O-C 3.59Å; S269-S284 WeakPolarHBondContact O-CA 3.37Å; S269-S284 PolarHBondContact O-OG 3.26Å; S284-L291 WeakPolarHBondContact O-CA 3.45Å; S284-Y292 PolarHBondContact N-O 2.99Å; S284-Y292 PolarHBondContact O-N 2.61Å; S284-Y292 VanDerWaalsContact O-N 3.16Å
285	F	96.1	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	100	171.2	-179.9	-109.8	0	0	0	110.2	R228 V240 D242 V251 W265 S269 S287 E290 L291	R228-F285 HydrophobicContact CG-CE1 4.25Å; R228-F285 PolarHBondContact NH1-O 3.31Å; R228-F285 VanDerWaalsContact NH1-O 3.12Å; V240-F285 HydrophobicContact CB-CD2 4.19Å; V240-F285 HydrophobicContact CB-CE2 4.19Å; V240-F285 HydrophobicContact CB-CG 4.41Å; V240-F285 HydrophobicContact CB-CZ 4.41Å; V240-F285 HydrophobicContact CG1-CD1 3.66Å; V240-F285 HydrophobicContact CG1-CD2 4.02Å; V240-F285 HydrophobicContact CG1-CE1 3.57Å; V240-F285 HydrophobicContact CG1-CE2 3.94Å; V240-F285 HydrophobicContact CG1-CG 3.88Å; V240-F285 HydrophobicContact CG1-CZ 3.71Å; V240-F285 HydrophobicContact CG2-CD2 4.5Å; D242-F285 HydrophobicContact CB-CE1 4.26Å; D242-F285 HydrophobicContact CB-CZ 4.32Å; V251-F285 HydrophobicContact CB-CE2 4.46Å; V251-F285 HydrophobicContact CG2-CE2 4.04Å; W265-F285 HydrophobicContact CH2-CB 4.29Å; W265-F285 AromaticContact CH2-CD1 3.91Å; W265-F285 HydrophobicContact CH2-CD1 3.91Å; W265-F285 HydrophobicContact CH2-CG 4.4Å; W265-F285 HydrophobicContact CZ3-CB 4.39Å; W265-F285 HydrophobicContact CZ3-CD1 4.46Å; S269-F285 WeakPolarHBondContact CA-O 3.29Å; S269-F285 WeakPolarHBondContact CB-O 3.41Å; S269-F285 PolarHBondContact O-N 2.66Å; F285-S287 WeakPolarHBondContact CE2-O 3.17Å; F285-E290 WeakPolarHBondContact CA-O 3.49Å; F285-L291 HydrophobicContact CB-CD1 4Å; F285-L291 HydrophobicContact CD2-CB 4.07Å; F285-L291 HydrophobicContact CD2-CD1 4.16Å; F285-L291 HydrophobicContact CG-CD1 4.5Å
286	K	90.5	Very high	94.1	Very high	87 Å²	87	43.6 Å²	43.6	38%	0.378	21%	0.214	S	C	.	.	S	Bend	trans	-98	-43.6	179.2	-70.6	177.4	-179.3	172.1	0	112.3	E290	K286-E290 HydrophobicContact CB-CB 4.19Å; K286-E290 WeakPolarHBondContact CB-OE2 3.32Å; K286-E290 WeakPolarHBondContact CD-OE2 3.44Å; K286-E290 PolarHBondContact N-O 3.34Å; K286-E290 VanDerWaalsContact N-O 3.16Å
287	S	89.3	Confident	93.8	Very high	37 Å²	37	40.6 Å²	40.6	26%	0.259	20%	0.202	S	C	.	.	S	Bend	trans	-147.7	169.3	-177.9	75.7	0	0	0	0	109.8	F285 K289 E290	F285-S287 WeakPolarHBondContact CE2-O 3.17Å; S287-K289 PolarHBondContact O-N 3.5Å; S287-K289 PolarHBondContact OG-N 2.61Å; S287-E290 PolarHBondContact O-N 2.97Å
288	P	85.4	Confident	93.5	Very high	47 Å²	47	39.2 Å²	39.2	31%	0.305	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-18.4	178.1	-29.4	36.5	0	0	0	116	V245 V251	V245-P288 HydrophobicContact CG1-CG 4.25Å; V251-P288 WeakPolarHBondContact CG1-O 3.44Å; V251-P288 HydrophobicContact CG2-CB 3.89Å; V251-P288 WeakPolarHBondContact CG2-O 3.32Å
289	K	85.7	Confident	92.5	Very high	200 Å²	200	42.3 Å²	42.3	87%	0.87	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-4.8	177.6	-63.9	-175.6	179.4	-179.5	0	113.7	S287	S287-K289 PolarHBondContact O-N 3.5Å; S287-K289 PolarHBondContact OG-N 2.61Å
290	E	92.7	Very high	91.2	Very high	86 Å²	86	46 Å²	46	40%	0.402	24%	0.237	S	C	.	.			trans	-127.3	67.9	-170.1	-68.2	-178.5	-161.8	0	0	110.6	F285 K286 S287	F285-E290 WeakPolarHBondContact CA-O 3.49Å; K286-E290 HydrophobicContact CB-CB 4.19Å; K286-E290 WeakPolarHBondContact CB-OE2 3.32Å; K286-E290 WeakPolarHBondContact CD-OE2 3.44Å; K286-E290 PolarHBondContact N-O 3.34Å; K286-E290 VanDerWaalsContact N-O 3.16Å; S287-E290 PolarHBondContact O-N 2.97Å
291	L	96	Very high	89.2	Confident	17 Å²	17	50.9 Å²	50.9	9%	0.089	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	112.6	165.7	-178.7	61.3	0	0	0	109.1	V240 V251 L253 S284 F285	V240-L291 HydrophobicContact CB-CD2 4.38Å; V240-L291 HydrophobicContact CG2-CD1 4.01Å; V240-L291 HydrophobicContact CG2-CD2 3.91Å; V251-L291 HydrophobicContact CB-CD2 4.42Å; V251-L291 HydrophobicContact CG1-CB 3.7Å; V251-L291 HydrophobicContact CG1-CD2 3.95Å; V251-L291 HydrophobicContact CG1-CG 4.5Å; L253-L291 HydrophobicContact CB-CD2 3.63Å; L253-L291 HydrophobicContact CB-CG 3.79Å; L253-L291 HydrophobicContact CD2-CG 4.11Å; S284-L291 WeakPolarHBondContact O-CA 3.45Å; F285-L291 HydrophobicContact CB-CD1 4Å; F285-L291 HydrophobicContact CD2-CB 4.07Å; F285-L291 HydrophobicContact CD2-CD1 4.16Å; F285-L291 HydrophobicContact CG-CD1 4.5Å
292	Y	96	Very high	86.8	Confident	88 Å²	88	59.8 Å²	59.8	35%	0.345	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	157	-176.9	62.2	-86.2	0	0	0	112.6	L283 S284 V294	L283-Y292 VanDerWaalsContact CA-O 3.31Å; L283-Y292 WeakPolarHBondContact CA-O 3.32Å; S284-Y292 PolarHBondContact N-O 2.99Å; S284-Y292 PolarHBondContact O-N 2.61Å; S284-Y292 VanDerWaalsContact O-N 3.16Å; Y292-V294 HydrophobicContact CD2-CG2 4.42Å; Y292-V294 HydrophobicContact CE2-CG2 3.99Å
293	V	95.4	Very high	83.9	Confident	46 Å²	46	64.7 Å²	64.7	28%	0.279	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	125.1	172.9	-175.8	0	0	0	0	109.1	L253 T255 F257 L283	L253-V293 HydrophobicContact CD2-CG2 4.04Å; T255-V293 HydrophobicContact CG2-CG2 4.24Å; F257-V293 HydrophobicContact CE2-CG2 4.38Å; L283-V293 HydrophobicContact CD1-CG2 4.16Å; L283-V293 HydrophobicContact CG-CG2 4.22Å
294	V	94.7	Very high	81	Confident	50 Å²	50	74 Å²	74	30%	0.303	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-56.8	177.3	-179	0	0	0	0	110	L282 Y292	L282-V294 HydrophobicContact CB-CB 4.42Å; L282-V294 HydrophobicContact CD2-CB 4.15Å; L282-V294 HydrophobicContact CD2-CG1 4.14Å; L282-V294 HydrophobicContact CG-CB 4.16Å; L282-V294 HydrophobicContact CG-CG2 4.36Å; L282-V294 WeakPolarHBondContact O-CB 3.12Å; L282-V294 PolarHBondContact O-N 3.48Å; Y292-V294 HydrophobicContact CD2-CG2 4.42Å; Y292-V294 HydrophobicContact CE2-CG2 3.99Å
295	C	92.1	Very high	78.1	Confident	30 Å²	30	77.9 Å²	77.9	20%	0.203	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	163.5	-179.7	62.9	0	0	0	0	112.2	Q281 L282	Q281-C295 WeakPolarHBondContact CA-O 3.23Å; L282-C295 PolarHBondContact N-O 3.12Å; L282-C295 PolarHBondContact O-N 3.03Å
296	K	93	Very high	75.2	Confident	90 Å²	90	85.1 Å²	85.1	39%	0.391	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135	158.5	-67.1	-172.1	175.9	-168.5	0	108.2	Q281 V299	Q281-K296 HydrophobicContact CG-CG 4.31Å; K296-V299 VanDerWaalsContact O-CG2 3.29Å; K296-V299 WeakPolarHBondContact O-CG2 3.23Å
297	L	91.9	Very high	72.8	Confident	15 Å²	15	84 Å²	84	8%	0.079	48%	0.48	C	S	.	.	S	Bend	trans	-85.9	-24	180	-67.7	174.3	0	0	0	111.7	R7 V272 P280 L282 V299 F353 L367	R7-L297 PolarHBondContact NH2-O 2.95Å; V272-L297 HydrophobicContact CG1-CD1 4.06Å; V272-L297 HydrophobicContact CG2-CD1 3.98Å; P280-L297 HydrophobicContact CB-CB 4.44Å; P280-L297 HydrophobicContact CB-CD1 4.34Å; P280-L297 HydrophobicContact CG-CB 4.14Å; P280-L297 WeakPolarHBondContact O-CB 3.42Å; P280-L297 PolarHBondContact O-N 3.34Å; L282-L297 HydrophobicContact CB-CD1 4.3Å; L282-L297 HydrophobicContact CB-CD2 4.05Å; L282-L297 HydrophobicContact CB-CG 4.16Å; L297-V299 PolarHBondContact O-N 3.27Å; L297-F353 HydrophobicContact CD1-CE1 3.83Å; L297-F353 HydrophobicContact CD1-CZ 3.56Å; L297-L367 HydrophobicContact CD1-CD2 4.43Å; L297-L367 HydrophobicContact CD2-CD2 4.43Å
298	D	90	Very high	70.7	Confident	13 Å²	13	89.1 Å²	89.1	7%	0.07	50%	0.5	C	S	.	.			trans	-89.6	75.8	172.9	-165.6	17.6	0	0	0	112.4	R7 T331 L332 W365	R7-D298 VanDerWaalsContact NH2-CA 3.35Å; R7-D298 IonicContact NH2-OD1 2.88Å; R7-D298 PolarHBondContact NH2-OD1 3.33Å; D298-T331 WeakPolarHBondContact OD2-CA 3.47Å; D298-T331 WeakPolarHBondContact OD2-CB 3.32Å; D298-L332 WeakPolarHBondContact OD1-CD1 3.43Å; D298-L332 WeakPolarHBondContact OD1-CG 3.47Å; D298-L332 PolarHBondContact OD2-N 3.16Å; D298-W365 HydrophobicContact CB-CH2 3.77Å; D298-W365 HydrophobicContact CB-CZ3 3.98Å
299	V	76.4	Confident	69.5	Low	73 Å²	73	91.4 Å²	91.4	44%	0.442	51%	0.514	S	S	.	.			trans	-97.5	120.5	172.2	-167.9	0	0	0	0	106.9	R7 K296 L297 S301	R7-V299 PolarHBondContact NH1-O 2.82Å; R7-V299 PolarHBondContact NH2-O 3.26Å; K296-V299 VanDerWaalsContact O-CG2 3.29Å; K296-V299 WeakPolarHBondContact O-CG2 3.23Å; L297-V299 PolarHBondContact O-N 3.27Å; V299-S301 PolarHBondContact O-N 2.92Å; V299-S301 VanDerWaalsContact O-N 3.15Å
300	P	68.1	Low	68.5	Low	81 Å²	81	85.6 Å²	85.6	53%	0.526	50%	0.503	S	S	.	.			trans	-52.8	126.1	169.2	-21.1	30.9	0	0	0	107.3	E302	P300-E302 PolarHBondContact O-N 3.15Å
301	S	55.3	Low	67.3	Low	103 Å²	103	87.6 Å²	87.6	72%	0.72	51%	0.513	S	S	*	.			trans	-54	114.4	169	47.2	0	0	0	0	106.1	V299 S303	V299-S301 PolarHBondContact O-N 2.92Å; V299-S301 VanDerWaalsContact O-N 3.15Å; S301-S303 VanDerWaalsContact C-N 3.35Å; S301-S303 PolarHBondContact O-N 3.39Å
302	E	44.1	Very low	65.6	Low	186 Å²	186	89.2 Å²	89.2	87%	0.869	53%	0.527	S	S	*	.			trans	-49.5	112	167.8	-75.6	-172.6	167	0	0	104.8	P300 K304	P300-E302 PolarHBondContact O-N 3.15Å; E302-K304 PolarHBondContact O-N 3.32Å
303	S	36.3	Very low	64	Low	107 Å²	107	89.9 Å²	89.9	75%	0.748	53%	0.534	S	S	*	.			trans	-58.7	100.2	171.6	53.2	0	0	0	0	103.9	S301 G305	S301-S303 VanDerWaalsContact C-N 3.35Å; S301-S303 PolarHBondContact O-N 3.39Å; S303-G305 PolarHBondContact O-N 2.82Å
304	K	35	Very low	62.6	Low	195 Å²	195	94.6 Å²	94.6	85%	0.848	55%	0.551	S	S	*	*			trans	-44.3	119.6	158.7	-76.8	-175.1	175.9	179.8	0	103.5	E302 D306	E302-K304 PolarHBondContact O-N 3.32Å; K304-D306 PolarHBondContact O-N 3.11Å
305	G	35.8	Very low	61.1	Low	84 Å²	84	101 Å²	101	87%	0.866	57%	0.569	S	S	*	*			trans	-58.3	83.6	-174.6	0	0	0	0	0	109.2	S303	S303-G305 PolarHBondContact O-N 2.82Å
306	D	34.7	Very low	59.6	Low	152 Å²	152	101 Å²	101	81%	0.813	58%	0.575	S	S	*	*			trans	-83.1	119.9	171.9	-145.9	10.3	0	0	0	103.8	K304 Q308	K304-D306 PolarHBondContact O-N 3.11Å; D306-Q308 PolarHBondContact O-N 3.45Å
307	G	40.9	Very low	58	Low	64 Å²	64	101.9 Å²	101.9	66%	0.66	58%	0.584	S	S	*	*			trans	-42.9	112.2	-163.4	0	0	0	0	0	111.3	T309	G307-T309 PolarHBondContact O-N 3.45Å
308	Q	45.6	Very low	56.3	Low	144 Å²	144	106.8 Å²	106.8	67%	0.673	61%	0.61	S	S	*	*			trans	-58.3	108	175.2	-76.9	-174.6	-17.3	0	0	107.7	D306 M313	D306-Q308 PolarHBondContact O-N 3.45Å; Q308-M313 HydrophobicContact CB-CG 4.21Å
309	T	59.9	Low	54.7	Low	96 Å²	96	109.8 Å²	109.8	59%	0.589	63%	0.632	S	S	*	*			trans	-60.5	142.9	173.9	43.2	0	0	0	0	108.6	G307 M311 S312 M313	G307-T309 PolarHBondContact O-N 3.45Å; T309-M311 PolarHBondContact O-N 2.99Å; T309-S312 PolarHBondContact N-OG 2.9Å; T309-S312 WeakPolarHBondContact O-CA 3.22Å; T309-S312 WeakPolarHBondContact O-CB 3.38Å; T309-S312 PolarHBondContact O-N 2.88Å; T309-S312 PolarHBondContact O-OG 2.83Å; T309-M313 PolarHBondContact O-N 2.9Å
310	A	65.2	Low	53.6	Low	78 Å²	78	116.4 Å²	116.4	65%	0.645	65%	0.649	S	S	*	*	H	α-helix	trans	-51.7	-30.1	-179.3	0	0	0	0	0	112.6	M313 F314	A310-M313 PolarHBondContact O-N 2.87Å; A310-F314 WeakPolarHBondContact O-CB 3.31Å; A310-F314 PolarHBondContact O-N 2.71Å
311	M	67.7	Low	52.7	Low	127 Å²	127	116.8 Å²	116.8	63%	0.626	66%	0.659	S	S	*	*	H	α-helix	trans	-70.5	-34.3	175.4	-139.2	-141	-74.7	0	0	113.5	T309 F314 R315	T309-M311 PolarHBondContact O-N 2.99Å; M311-F314 PolarHBondContact O-N 2.99Å; M311-R315 WeakPolarHBondContact O-CG 3.5Å; M311-R315 PolarHBondContact O-N 2.82Å
312	S	60.1	Low	52.4	Low	52 Å²	52	115.5 Å²	115.5	36%	0.364	65%	0.647	S	S	.	*	H	α-helix	trans	-68.6	-37.6	173.1	76.5	0	0	0	0	111.7	T309 G316	T309-S312 PolarHBondContact N-OG 2.9Å; T309-S312 WeakPolarHBondContact O-CA 3.22Å; T309-S312 WeakPolarHBondContact O-CB 3.38Å; T309-S312 PolarHBondContact O-N 2.88Å; T309-S312 PolarHBondContact O-OG 2.83Å; S312-G316 PolarHBondContact O-N 2.82Å; S312-G316 VanDerWaalsContact O-N 3.08Å
313	M	62.7	Low	52.5	Low	101 Å²	101	112.3 Å²	112.3	50%	0.498	65%	0.645	S	S	.	*	H	α-helix	trans	-65.5	-40	172.4	-78.1	-155.5	-85.2	0	0	111.7	Q308 T309 A310 G316 L317	Q308-M313 HydrophobicContact CB-CG 4.21Å; T309-M313 PolarHBondContact O-N 2.9Å; A310-M313 PolarHBondContact O-N 2.87Å; M313-G316 PolarHBondContact O-N 2.77Å; M313-L317 WeakPolarHBondContact O-CB 3.42Å; M313-L317 PolarHBondContact O-N 2.56Å
314	F	64.6	Low	53	Low	145 Å²	145	113.2 Å²	113.2	64%	0.636	64%	0.642	S	S	*	*	H	α-helix	trans	-66.3	-40.3	178.6	-146.5	-89.9	0	0	0	112.2	A310 M311 L317 D318	A310-F314 WeakPolarHBondContact O-CB 3.31Å; A310-F314 PolarHBondContact O-N 2.71Å; M311-F314 PolarHBondContact O-N 2.99Å; F314-L317 PolarHBondContact O-N 2.83Å; F314-D318 PolarHBondContact O-N 2.99Å; F314-D318 VanDerWaalsContact O-N 3.16Å
315	R	64.5	Low	53.7	Low	184 Å²	184	111.4 Å²	111.4	69%	0.694	64%	0.641	S	S	*	*	H	α-helix	trans	-64.9	-37.4	173.6	-72.2	-176.6	-174.4	-175.3	1.7	112.9	M311 L317 S319	M311-R315 WeakPolarHBondContact O-CG 3.5Å; M311-R315 PolarHBondContact O-N 2.82Å; R315-L317 VanDerWaalsContact C-N 3.32Å; R315-S319 PolarHBondContact O-N 3.38Å
316	G	59.6	Low	54.7	Low	32 Å²	32	113.9 Å²	113.9	33%	0.33	63%	0.634	S	S	.	*	H	α-helix	trans	-73.4	-20.6	175.2	0	0	0	0	0	114.3	S312 M313 S319 R320	S312-G316 PolarHBondContact O-N 2.82Å; S312-G316 VanDerWaalsContact O-N 3.08Å; M313-G316 PolarHBondContact O-N 2.77Å; G316-S319 PolarHBondContact O-OG 2.9Å; G316-R320 WeakPolarHBondContact O-CG 3.25Å
317	L	60.2	Low	56.7	Low	108 Å²	108	112.9 Å²	112.9	57%	0.565	63%	0.633	S	S	*	*	H	α-helix	trans	-77.2	-41.2	173.3	-98.3	151.8	0	0	0	111.5	M313 F314 R315 S319 R320	M313-L317 WeakPolarHBondContact O-CB 3.42Å; M313-L317 PolarHBondContact O-N 2.56Å; F314-L317 PolarHBondContact O-N 2.83Å; R315-L317 VanDerWaalsContact C-N 3.32Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 2.97Å; L317-R320 PolarHBondContact O-N 3.32Å; L317-R320 VanDerWaalsContact O-N 3.11Å
318	D	55	Low	58.7	Low	117 Å²	117	116.9 Å²	116.9	63%	0.626	64%	0.635	S	S	*	*	H	α-helix	trans	-62.8	-38	173.9	-107.6	-5.8	0	0	0	111.7	F314 R320 A321	F314-D318 PolarHBondContact O-N 2.99Å; F314-D318 VanDerWaalsContact O-N 3.16Å; D318-R320 PolarHBondContact O-N 3.04Å; D318-A321 PolarHBondContact O-N 3.35Å
319	S	57	Low	60.7	Low	77 Å²	77	113.8 Å²	113.8	54%	0.538	62%	0.622	S	S	.	*	H	α-helix	trans	-73.3	-7.5	176	88	0	0	0	0	114.2	R315 G316 L317	R315-S319 PolarHBondContact O-N 3.38Å; G316-S319 PolarHBondContact O-OG 2.9Å; L317-S319 VanDerWaalsContact C-N 3.31Å; L317-S319 PolarHBondContact O-N 2.97Å
320	R	52.8	Low	62.1	Low	211 Å²	211	118.7 Å²	118.7	80%	0.796	64%	0.635	S	S	*	*	H	α-helix	trans	-92.1	-16.2	173.6	-83.4	179.3	172.8	-179.7	-0.4	112.5	G316 L317 D318 T322	G316-R320 WeakPolarHBondContact O-CG 3.25Å; L317-R320 PolarHBondContact O-N 3.32Å; L317-R320 VanDerWaalsContact O-N 3.11Å; D318-R320 PolarHBondContact O-N 3.04Å; R320-T322 VanDerWaalsContact C-N 3.31Å
321	A	50.5	Low	63.4	Low	89 Å²	89	116.1 Å²	116.1	74%	0.736	61%	0.612	S	S	*	*	H	α-helix	trans	-77.6	-20.7	176.2	0	0	0	0	0	112.3	D318	D318-A321 PolarHBondContact O-N 3.35Å
322	T	49	Very low	64.6	Low	76 Å²	76	112.5 Å²	112.5	47%	0.466	59%	0.594	S	S	.	*	S	Bend	trans	-93.9	109.2	166.1	29.6	0	0	0	0	107.7	R320 D324	R320-T322 VanDerWaalsContact C-N 3.31Å; T322-D324 PolarHBondContact O-N 3.33Å
323	S	46.3	Very low	66.3	Low	119 Å²	119	110 Å²	110	83%	0.832	58%	0.577	S	S	*	*			trans	-70.6	63.7	167.9	59.7	0	0	0	0	109.2	L325	S323-L325 PolarHBondContact O-N 2.77Å
324	D	46.8	Very low	67.8	Low	126 Å²	126	108.8 Å²	108.8	67%	0.674	57%	0.57	S	S	*	*			trans	-75.9	113.5	173	-76.8	-19.8	0	0	0	106.7	T322 N326	T322-D324 PolarHBondContact O-N 3.33Å; D324-N326 PolarHBondContact O-N 2.84Å
325	L	48.5	Very low	69.3	Low	158 Å²	158	105.2 Å²	105.2	83%	0.827	56%	0.558	S	S	*	*			trans	-48.4	106.5	166.1	-77.5	155.7	0	0	0	107	S323 V327	S323-L325 PolarHBondContact O-N 2.77Å; L325-V327 VanDerWaalsContact C-N 3.3Å; L325-V327 VanDerWaalsContact O-CG2 3.26Å; L325-V327 WeakPolarHBondContact O-CG2 3.12Å; L325-V327 PolarHBondContact O-N 2.74Å
326	N	56.5	Low	70.8	Confident	136 Å²	136	97 Å²	97	73%	0.727	53%	0.529	S	S	*	.			trans	-73.1	90	-177.3	-163	0.2	0	0	0	108.4	D324 Q328	D324-N326 PolarHBondContact O-N 2.84Å; N326-Q328 PolarHBondContact O-N 3.41Å
327	V	76.7	Confident	72.7	Confident	131 Å²	131	95.5 Å²	95.5	79%	0.794	51%	0.513	S	S	*	.			trans	-74.5	-10.2	-178.8	-166	0	0	0	0	111.5	L325	L325-V327 VanDerWaalsContact C-N 3.3Å; L325-V327 VanDerWaalsContact O-CG2 3.26Å; L325-V327 WeakPolarHBondContact O-CG2 3.12Å; L325-V327 PolarHBondContact O-N 2.74Å
328	Q	83.4	Confident	74.4	Confident	148 Å²	148	91.9 Å²	91.9	69%	0.692	50%	0.497	S	S	*	.			trans	-73.1	132.5	-179.4	-72.1	-168.4	-18	0	0	112.2	N326	N326-Q328 PolarHBondContact O-N 3.41Å
329	L	87.1	Confident	76.4	Confident	79 Å²	79	87.5 Å²	87.5	41%	0.414	47%	0.473	S	S	.	.			trans	-70.8	152.8	170.9	-61.7	177.5	0	0	0	109.7	C278 T331 Q334	C278-L329 HydrophobicContact CB-CD1 4.03Å; C278-L329 VanDerWaalsContact SG-CD1 3.56Å; L329-T331 WeakPolarHBondContact CB-OG1 3.42Å; L329-T331 PolarHBondContact O-N 3.34Å; L329-Q334 PolarHBondContact O-NE2 2.79Å
330	K	90.1	Very high	78.4	Confident	199 Å²	199	83.9 Å²	83.9	87%	0.865	45%	0.447	S	S	*	.	S	Bend	trans	-73.3	-9.5	174.2	-64.3	-177	179.6	180	0	113.4
331	T	92.6	Very high	80.5	Confident	24 Å²	24	74.4 Å²	74.4	15%	0.147	41%	0.414	C	S	.	.	S	Bend	trans	-85.6	154.7	179.4	45.7	0	0	0	0	110.7	C278 C279 D298 L329 H333 Q334	C278-T331 WeakPolarHBondContact O-CB 3.3Å; C279-T331 HydrophobicContact CB-CG2 3.81Å; D298-T331 WeakPolarHBondContact OD2-CA 3.47Å; D298-T331 WeakPolarHBondContact OD2-CB 3.32Å; L329-T331 WeakPolarHBondContact CB-OG1 3.42Å; L329-T331 PolarHBondContact O-N 3.34Å; T331-H333 CarbonylContact C-O 3.56Å; T331-H333 WeakPolarHBondContact CB-O 3.35Å; T331-H333 PolarHBondContact OG1-O 3.31Å; T331-Q334 PolarHBondContact O-NE2 2.82Å
332	L	93.6	Very high	82.7	Confident	50 Å²	50	72.8 Å²	72.8	26%	0.262	39%	0.391	S	S	.	.	S	Bend	trans	-64	-43.7	175.4	-69.3	169.1	0	0	0	111.4	V11 D298 I363 W365	V11-L332 HydrophobicContact CG2-CD1 3.73Å; D298-L332 WeakPolarHBondContact OD1-CD1 3.43Å; D298-L332 WeakPolarHBondContact OD1-CG 3.47Å; D298-L332 PolarHBondContact OD2-N 3.16Å; L332-I363 HydrophobicContact CB-CD1 3.49Å; L332-I363 VanDerWaalsContact CB-CD1 3.49Å; L332-I363 HydrophobicContact CD1-CD1 4.42Å; L332-W365 HydrophobicContact CD1-CH2 3.77Å; L332-W365 HydrophobicContact CD1-CZ3 4.11Å
333	H	95.2	Very high	85	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.375	C	S	.	.	S	Bend	trans	-73.4	135.9	166.2	-77.3	-53.9	0	0	0	110.1	C278 T331 T355 S357 D359 S361	C278-H333 HydrophobicContact CB-CB 4.22Å; T331-H333 CarbonylContact C-O 3.56Å; T331-H333 WeakPolarHBondContact CB-O 3.35Å; T331-H333 PolarHBondContact OG1-O 3.31Å; H333-T355 PolarHBondContact NE2-OG1 2.68Å; H333-S357 WeakPolarHBondContact CE1-CB 3.44Å; H333-S357 WeakPolarHBondContact ND1-CB 3.12Å; H333-D359 WeakPolarHBondContact CA-OD2 3.45Å; H333-D359 WeakPolarHBondContact CB-OD2 3.24Å; H333-D359 IonicContact CG-OD2 2.85Å; H333-D359 IonicContact ND1-OD1 3.75Å; H333-D359 IonicContact ND1-OD2 2.88Å; H333-D359 PolarHBondContact ND1-OD2 3.16Å; H333-D359 VanDerWaalsContact ND1-OD2 3.08Å; H333-S361 PolarHBondContact CE1-OG 3.12Å; H333-S361 VanDerWaalsContact CE1-OG 3.24Å; H333-S361 PolarHBondContact ND1-OG 2.71Å
334	Q	94.5	Very high	87.2	Confident	75 Å²	75	66.4 Å²	66.4	35%	0.35	35%	0.347	S	S	.	.	S	Bend	trans	-102.8	3.8	-179.9	-63.6	-64.7	-52.9	0	0	111.8	L329 T331 D359	L329-Q334 PolarHBondContact O-NE2 2.79Å; T331-Q334 PolarHBondContact O-NE2 2.82Å; Q334-D359 HydrophobicContact CB-CB 4.26Å; Q334-D359 PolarHBondContact N-OD2 2.82Å
335	N	95.3	Very high	89.4	Confident	70 Å²	70	64.1 Å²	64.1	37%	0.374	33%	0.329	S	S	.	.	S	Bend	trans	-151.7	178.4	172.6	-152.4	-24.6	0	0	0	110.3	C278 I337 S357 L358 D359	C278-N335 WeakPolarHBondContact CB-O 3.13Å; C278-N335 PolarHBondContact SG-O 2.93Å; N335-I337 PolarHBondContact O-N 3.12Å; N335-S357 PolarHBondContact O-OG 3.33Å; N335-L358 HydrophobicContact CB-CB 4.07Å; N335-D359 HydrophobicContact CB-CB 3.86Å; N335-D359 PolarHBondContact N-OD2 3.42Å
336	S	96.8	Very high	91.3	Very high	13 Å²	13	62.9 Å²	62.9	9%	0.091	32%	0.319	C	S	.	.			trans	-59.4	133.8	-175.1	-56.4	0	0	0	0	111.4	F276 S338 S357 L358	F276-S336 WeakPolarHBondContact CD1-OG 3.31Å; S336-S338 PolarHBondContact O-N 2.84Å; S336-S357 WeakPolarHBondContact O-CA 3.23Å; S336-S357 PolarHBondContact O-OG 2.89Å; S336-L358 PolarHBondContact O-N 3.44Å
337	I	97.9	Very high	92.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	126.4	169.9	-64.1	168.7	0	0	0	107.4	T261 G275 P280 N335 I340 T355 A356	T261-I337 PolarHBondContact OG1-O 2.83Å; G275-I337 PolarHBondContact O-N 2.97Å; G275-I337 VanDerWaalsContact O-N 3.12Å; P280-I337 HydrophobicContact CB-CD1 4.36Å; P280-I337 HydrophobicContact CG-CD1 4.49Å; N335-I337 PolarHBondContact O-N 3.12Å; I337-I340 HydrophobicContact CG2-CD1 4.47Å; I337-I340 HydrophobicContact CG2-CG1 3.93Å; I337-T355 HydrophobicContact CG2-CG2 4.4Å; I337-A356 CarbonylContact C-O 3.55Å; I337-A356 WeakPolarHBondContact CA-O 3.43Å
338	S	96.9	Very high	93.2	Very high	32 Å²	32	67.3 Å²	67.3	22%	0.224	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-40.1	-179.3	51.7	0	0	0	0	111.8	I21 S336 A356	I21-S338 WeakPolarHBondContact O-CB 3.36Å; I21-S338 PolarHBondContact O-OG 3.08Å; S336-S338 PolarHBondContact O-N 2.84Å; S338-A356 PolarHBondContact N-O 3.33Å; S338-A356 PolarHBondContact OG-O 3.15Å
339	E	97.9	Very high	93.6	Very high	25 Å²	25	61.7 Å²	61.7	12%	0.117	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	148.4	-178.4	-175.3	164.4	-156.3	0	0	111.6	C23 H24 K113 T355 A356	C23-E339 WeakPolarHBondContact CA-OE2 3.43Å; C23-E339 WeakPolarHBondContact CB-OE2 3.31Å; H24-E339 PolarHBondContact N-OE2 2.98Å; H24-E339 IonicContact ND1-OE2 2.75Å; K113-E339 IonicContact NZ-OE1 3.94Å; E339-T355 WeakPolarHBondContact O-CA 3.38Å; E339-A356 PolarHBondContact N-O 2.68Å; E339-A356 PolarHBondContact O-N 2.92Å
340	I	98.3	Very high	93.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.8	171.9	-54.5	-178.6	0	0	0	106.5	S262 L264 V272 I337 F353 S354 T355	S262-I340 WeakPolarHBondContact OG-CB 3.43Å; S262-I340 WeakPolarHBondContact OG-CG1 3.32Å; S262-I340 PolarHBondContact OG-N 2.9Å; L264-I340 HydrophobicContact CB-CB 4.48Å; L264-I340 HydrophobicContact CB-CG2 3.79Å; L264-I340 HydrophobicContact CD2-CG2 4.08Å; V272-I340 HydrophobicContact CG1-CD1 4.21Å; I337-I340 HydrophobicContact CG2-CD1 4.47Å; I337-I340 HydrophobicContact CG2-CG1 3.93Å; I340-F353 HydrophobicContact CG2-CD2 3.76Å; I340-F353 HydrophobicContact CG2-CE2 4.39Å; I340-S354 WeakPolarHBondContact CA-O 3.42Å; I340-T355 HydrophobicContact CG1-CG2 4.12Å; I340-T355 HydrophobicContact CG2-CG2 4.5Å
341	A	97.6	Very high	94.1	Very high	13 Å²	13	49.3 Å²	49.3	11%	0.107	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.4	-178	0	0	0	0	0	111.6	H343 S354	A341-H343 PolarHBondContact O-N 2.72Å; A341-S354 PolarHBondContact N-O 3.17Å; A341-S354 PolarHBondContact O-N 2.92Å; A341-S354 PolarHBondContact O-OG 3.44Å; A341-S354 VanDerWaalsContact O-OG 3.06Å
342	E	96.5	Very high	94.2	Very high	55 Å²	55	49.6 Å²	49.6	26%	0.257	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	130.4	171.8	-179.5	177	137.3	0	0	110.1	L264 R345 V350	L264-E342 HydrophobicContact CD1-CB 4.4Å; L264-E342 HydrophobicContact CD2-CB 4.36Å; E342-R345 VanDerWaalsContact OE1-CB 3.23Å; E342-R345 WeakPolarHBondContact OE1-CB 3.47Å; E342-R345 IonicContact OE1-NE 3.08Å; E342-R345 PolarHBondContact OE1-NE 2.84Å; E342-R345 VanDerWaalsContact OE1-NE 3.08Å; E342-R345 IonicContact OE2-CZ 3.34Å; E342-R345 IonicContact OE2-NE 3.07Å; E342-R345 PolarHBondContact OE2-NE 2.77Å; E342-R345 IonicContact OE2-NH2 2.77Å; E342-R345 PolarHBondContact OE2-NH2 3.44Å; E342-V350 HydrophobicContact CG-CG1 4.24Å; E342-V350 HydrophobicContact CG-CG2 3.97Å
343	H	96	Very high	94.4	Very high	24 Å²	24	47.2 Å²	47.2	11%	0.111	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-53.9	171.6	176.9	-77.8	0	0	0	110.1	W26 R30 A341 V352 L364	W26-H343 AromaticContact CD2-CD2 3.78Å; W26-H343 AromaticContact CE2-CD2 3.64Å; W26-H343 AromaticContact CE3-CD2 3.86Å; W26-H343 AromaticContact CH2-CD2 3.7Å; W26-H343 AromaticContact CH2-NE2 3.91Å; W26-H343 AromaticContact CZ2-CD2 3.64Å; W26-H343 AromaticContact CZ3-CD2 3.78Å; W26-H343 AromaticContact CZ3-NE2 3.75Å; R30-H343 WeakPolarHBondContact CD-O 3.36Å; R30-H343 VanDerWaalsContact CG-O 3.23Å; R30-H343 WeakPolarHBondContact CG-O 3.43Å; R30-H343 PolarHBondContact NE-O 3.39Å; A341-H343 PolarHBondContact O-N 2.72Å; H343-V352 WeakPolarHBondContact CA-O 3.43Å; H343-V352 HydrophobicContact CB-CB 4.16Å; H343-V352 HydrophobicContact CB-CG1 3.98Å; H343-V352 WeakPolarHBondContact CB-O 3.42Å; H343-V352 PolarHBondContact N-O 2.76Å; H343-L364 HydrophobicContact CB-CD2 4.3Å
344	S	94	Very high	94.5	Very high	36 Å²	36	47.2 Å²	47.2	25%	0.252	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.9	-179.9	-60.3	0	0	0	0	110.9	V350 T351 V352	S344-V350 CarbonylContact O-C 3.52Å; S344-V350 WeakPolarHBondContact O-CA 3.35Å; S344-V350 WeakPolarHBondContact O-CG1 3.24Å; S344-T351 WeakPolarHBondContact CB-OG1 3.27Å; S344-T351 PolarHBondContact O-N 2.82Å; S344-T351 PolarHBondContact O-OG1 2.9Å; S344-V352 PolarHBondContact N-O 2.64Å; S344-V352 PolarHBondContact O-N 3.2Å; S344-V352 VanDerWaalsContact O-N 3.15Å
345	R	91.7	Very high	94.7	Very high	78 Å²	78	43.6 Å²	43.6	29%	0.294	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	139.4	179.2	167.6	179.1	-64	-82.5	-0	109.4	E342 R347 D348 E349	E342-R345 VanDerWaalsContact OE1-CB 3.23Å; E342-R345 WeakPolarHBondContact OE1-CB 3.47Å; E342-R345 IonicContact OE1-NE 3.08Å; E342-R345 PolarHBondContact OE1-NE 2.84Å; E342-R345 VanDerWaalsContact OE1-NE 3.08Å; E342-R345 IonicContact OE2-CZ 3.34Å; E342-R345 IonicContact OE2-NE 3.07Å; E342-R345 PolarHBondContact OE2-NE 2.77Å; E342-R345 IonicContact OE2-NH2 2.77Å; E342-R345 PolarHBondContact OE2-NH2 3.44Å; R345-R347 WeakPolarHBondContact CD-O 3.3Å; R345-R347 VanDerWaalsContact CG-O 3.27Å; R345-R347 WeakPolarHBondContact CG-O 3.42Å; R345-D348 PolarHBondContact NH1-O 2.82Å; R345-E349 CarbonylContact C-O 3.54Å; R345-E349 VanDerWaalsContact CA-O 3.3Å; R345-E349 WeakPolarHBondContact CA-O 3.29Å; R345-E349 WeakPolarHBondContact CG-O 3.43Å
346	E	89.6	Confident	94.8	Very high	133 Å²	133	40.3 Å²	40.3	62%	0.621	19%	0.193	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.4	167.9	-70.2	-178.5	-166.7	0	0	108.2	D348 E349 T351	E346-D348 PolarHBondContact O-N 2.97Å; E346-D348 VanDerWaalsContact O-N 3.15Å; E346-E349 PolarHBondContact N-O 3.17Å; E346-E349 PolarHBondContact O-N 3.12Å; E346-E349 VanDerWaalsContact O-N 3.08Å; E346-T351 HydrophobicContact CB-CG2 3.79Å; E346-T351 HydrophobicContact CG-CG2 3.69Å
347	R	86.2	Confident	94.8	Very high	236 Å²	236	39.7 Å²	39.7	89%	0.891	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	-118.7	-173.8	-52.9	175.7	-177.9	178.2	0.3	110.4	R345	R345-R347 WeakPolarHBondContact CD-O 3.3Å; R345-R347 VanDerWaalsContact CG-O 3.27Å; R345-R347 WeakPolarHBondContact CG-O 3.42Å
348	D	85.9	Confident	94.7	Very high	123 Å²	123	43 Å²	43	66%	0.658	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.6	7.8	-176.4	-57.1	-42.8	0	0	0	113.2	R345 E346	R345-D348 PolarHBondContact NH1-O 2.82Å; E346-D348 PolarHBondContact O-N 2.97Å; E346-D348 VanDerWaalsContact O-N 3.15Å
349	E	91.7	Very high	94.6	Very high	30 Å²	30	43.5 Å²	43.5	14%	0.14	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.1	-176.4	-60.1	-167.3	166.7	0	0	112.7	F3 V266 R345 E346 T351 V369	F3-E349 HydrophobicContact CZ-CG 4.47Å; F3-E349 WeakPolarHBondContact CZ-OE2 3.22Å; V266-E349 WeakPolarHBondContact O-CA 3.33Å; R345-E349 CarbonylContact C-O 3.54Å; R345-E349 VanDerWaalsContact CA-O 3.3Å; R345-E349 WeakPolarHBondContact CA-O 3.29Å; R345-E349 WeakPolarHBondContact CG-O 3.43Å; E346-E349 PolarHBondContact N-O 3.17Å; E346-E349 PolarHBondContact O-N 3.12Å; E346-E349 VanDerWaalsContact O-N 3.08Å; E349-T351 PolarHBondContact O-N 3.14Å; E349-V369 HydrophobicContact CB-CG2 4.25Å; E349-V369 VanDerWaalsContact OE2-CG1 3.24Å; E349-V369 WeakPolarHBondContact OE2-CG1 3.24Å; E349-V369 WeakPolarHBondContact OE2-CG2 3.21Å
350	V	94.6	Very high	94.4	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	120.2	173	177.1	0	0	0	0	108.4	V266 E342 S344 V352 F353 L367	V266-V350 HydrophobicContact CB-CB 3.9Å; V266-V350 HydrophobicContact CB-CG2 4.34Å; V266-V350 HydrophobicContact CG1-CB 4.04Å; V266-V350 HydrophobicContact CG1-CG1 4.26Å; V266-V350 HydrophobicContact CG1-CG2 4.42Å; V266-V350 PolarHBondContact O-N 3.21Å; E342-V350 HydrophobicContact CG-CG1 4.24Å; E342-V350 HydrophobicContact CG-CG2 3.97Å; S344-V350 CarbonylContact O-C 3.52Å; S344-V350 WeakPolarHBondContact O-CA 3.35Å; S344-V350 WeakPolarHBondContact O-CG1 3.24Å; V350-V352 WeakPolarHBondContact CG1-O 3.18Å; V350-F353 HydrophobicContact CG1-CB 4.21Å; V350-L367 HydrophobicContact CG1-CD1 4.49Å
351	T	93.7	Very high	94.3	Very high	19 Å²	19	42.5 Å²	42.5	12%	0.117	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-26.1	177.1	54.5	0	0	0	0	112.2	S344 E346 E349 P366 L367 V369	S344-T351 WeakPolarHBondContact CB-OG1 3.27Å; S344-T351 PolarHBondContact O-N 2.82Å; S344-T351 PolarHBondContact O-OG1 2.9Å; E346-T351 HydrophobicContact CB-CG2 3.79Å; E346-T351 HydrophobicContact CG-CG2 3.69Å; E349-T351 PolarHBondContact O-N 3.14Å; T351-P366 CarbonylContact O-C 3.6Å; T351-P366 WeakPolarHBondContact O-CA 3.45Å; T351-L367 PolarHBondContact O-N 2.85Å; T351-V369 HydrophobicContact CG2-CG2 4.02Å
352	V	95.4	Very high	94.3	Very high	29 Å²	29	42 Å²	42	18%	0.176	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.7	174.3	-173.1	0	0	0	0	109.2	H343 S344 V350 L364 W365	H343-V352 WeakPolarHBondContact CA-O 3.43Å; H343-V352 HydrophobicContact CB-CB 4.16Å; H343-V352 HydrophobicContact CB-CG1 3.98Å; H343-V352 WeakPolarHBondContact CB-O 3.42Å; H343-V352 PolarHBondContact N-O 2.76Å; S344-V352 PolarHBondContact N-O 2.64Å; S344-V352 PolarHBondContact O-N 3.2Å; S344-V352 VanDerWaalsContact O-N 3.15Å; V350-V352 WeakPolarHBondContact CG1-O 3.18Å; V352-L364 HydrophobicContact CG1-CB 4.12Å; V352-W365 WeakPolarHBondContact CA-O 3.18Å
353	F	97.1	Very high	94.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	157.4	167.7	70.4	-86.2	0	0	0	110.7	L264 V272 P280 L297 I340 V350 T355 W365 L367	L264-F353 HydrophobicContact CD2-CB 3.69Å; V272-F353 HydrophobicContact CG1-CD2 4.35Å; V272-F353 HydrophobicContact CG1-CE1 4.28Å; V272-F353 HydrophobicContact CG1-CE2 3.74Å; V272-F353 HydrophobicContact CG1-CZ 3.71Å; V272-F353 HydrophobicContact CG2-CD1 4.39Å; V272-F353 HydrophobicContact CG2-CE1 4.03Å; V272-F353 HydrophobicContact CG2-CZ 4.28Å; P280-F353 HydrophobicContact CB-CE2 4.24Å; P280-F353 HydrophobicContact CB-CZ 4.29Å; L297-F353 HydrophobicContact CD1-CE1 3.83Å; L297-F353 HydrophobicContact CD1-CZ 3.56Å; I340-F353 HydrophobicContact CG2-CD2 3.76Å; I340-F353 HydrophobicContact CG2-CE2 4.39Å; V350-F353 HydrophobicContact CG1-CB 4.21Å; F353-T355 HydrophobicContact CD2-CG2 3.98Å; F353-T355 HydrophobicContact CE2-CG2 3.64Å; F353-W365 HydrophobicContact CD1-CB 3.77Å; F353-W365 HydrophobicContact CD2-CB 4.12Å; F353-W365 AromaticContact CD2-CD1 3.73Å; F353-W365 HydrophobicContact CD2-CG 4.15Å; F353-W365 HydrophobicContact CE1-CB 3.3Å; F353-W365 HydrophobicContact CE1-CG 4Å; F353-W365 HydrophobicContact CE2-CB 3.69Å; F353-W365 AromaticContact CE2-CD1 3.29Å; F353-W365 HydrophobicContact CE2-CD2 4.33Å; F353-W365 AromaticContact CE2-CG 3.5Å; F353-W365 HydrophobicContact CE2-CG 3.5Å; F353-W365 VanDerWaalsContact CE2-CG 3.5Å; F353-W365 AromaticContact CE2-NE1 3.99Å; F353-W365 HydrophobicContact CG-CB 4.16Å; F353-W365 HydrophobicContact CZ-CB 3.25Å; F353-W365 AromaticContact CZ-CD1 3.73Å; F353-W365 HydrophobicContact CZ-CD2 4.13Å; F353-W365 AromaticContact CZ-CG 3.4Å; F353-W365 HydrophobicContact CZ-CG 3.4Å; F353-W365 PolarHBondContact N-O 2.59Å; F353-W365 PolarHBondContact O-N 3.02Å; F353-L367 HydrophobicContact CD1-CD1 3.61Å; F353-L367 HydrophobicContact CD1-CD2 4.37Å; F353-L367 HydrophobicContact CD1-CG 3.82Å; F353-L367 HydrophobicContact CE1-CD1 3.94Å; F353-L367 HydrophobicContact CE1-CD2 3.87Å; F353-L367 HydrophobicContact CE1-CG 3.82Å
354	S	97.7	Very high	94.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	142.2	176.9	60.6	0	0	0	0	110.2	H24 W26 I340 A341 I363	H24-S354 PolarHBondContact NE2-OG 3.49Å; W26-S354 PolarHBondContact NE1-OG 3.4Å; I340-S354 WeakPolarHBondContact CA-O 3.42Å; A341-S354 PolarHBondContact N-O 3.17Å; A341-S354 PolarHBondContact O-N 2.92Å; A341-S354 PolarHBondContact O-OG 3.44Å; A341-S354 VanDerWaalsContact O-OG 3.06Å; S354-I363 CarbonylContact C-O 3.58Å; S354-I363 VanDerWaalsContact CA-O 3.29Å; S354-I363 WeakPolarHBondContact CA-O 3.48Å
355	T	98.2	Very high	94.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.5	167.9	56.9	0	0	0	0	109.1	H333 I337 E339 I340 F353 I362 I363 W365	H333-T355 PolarHBondContact NE2-OG1 2.68Å; I337-T355 HydrophobicContact CG2-CG2 4.4Å; E339-T355 WeakPolarHBondContact O-CA 3.38Å; I340-T355 HydrophobicContact CG1-CG2 4.12Å; I340-T355 HydrophobicContact CG2-CG2 4.5Å; F353-T355 HydrophobicContact CD2-CG2 3.98Å; F353-T355 HydrophobicContact CE2-CG2 3.64Å; T355-I362 CarbonylContact O-C 3.56Å; T355-I362 VanDerWaalsContact O-CA 3.24Å; T355-I362 WeakPolarHBondContact O-CA 3.35Å; T355-I363 PolarHBondContact N-O 3.3Å; T355-I363 PolarHBondContact O-N 2.89Å; T355-W365 VanDerWaalsContact CG2-NE1 3.32Å; T355-W365 PolarHBondContact OG1-NE1 3.29Å
356	A	97.6	Very high	94.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	151	166.8	0	0	0	0	0	109.4	I21 H24 I337 S338 E339 I362	I21-A356 HydrophobicContact CB-CB 4.07Å; I21-A356 HydrophobicContact CG2-CB 3.59Å; H24-A356 VanDerWaalsContact ND1-CB 3.25Å; H24-A356 WeakPolarHBondContact ND1-CB 3.19Å; I337-A356 CarbonylContact C-O 3.55Å; I337-A356 WeakPolarHBondContact CA-O 3.43Å; S338-A356 PolarHBondContact N-O 3.33Å; S338-A356 PolarHBondContact OG-O 3.15Å; E339-A356 PolarHBondContact N-O 2.68Å; E339-A356 PolarHBondContact O-N 2.92Å; A356-I362 HydrophobicContact CB-CG1 4.27Å
357	S	96.7	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	158.7	-175.1	168.5	0	0	0	0	112.1	I21 H333 N335 S336 D359 G360 S361	I21-S357 PolarHBondContact N-O 2.62Å; I21-S357 VanDerWaalsContact N-O 3.11Å; H333-S357 WeakPolarHBondContact CE1-CB 3.44Å; H333-S357 WeakPolarHBondContact ND1-CB 3.12Å; N335-S357 PolarHBondContact O-OG 3.33Å; S336-S357 WeakPolarHBondContact O-CA 3.23Å; S336-S357 PolarHBondContact O-OG 2.89Å; S357-D359 WeakPolarHBondContact CB-OD1 3.42Å; S357-D359 WeakPolarHBondContact CB-OD2 3.23Å; S357-D359 PolarHBondContact O-N 3.21Å; S357-D359 PolarHBondContact OG-N 3.16Å; S357-D359 VanDerWaalsContact OG-N 3.17Å; S357-D359 PolarHBondContact OG-OD1 2.96Å; S357-D359 VanDerWaalsContact OG-OD1 3.12Å; S357-D359 PolarHBondContact OG-OD2 3.07Å; S357-G360 PolarHBondContact O-N 3.2Å; S357-G360 VanDerWaalsContact O-N 3.08Å; S357-S361 PolarHBondContact N-O 3.07Å
358	L	95.8	Very high	93.7	Very high	70 Å²	70	23.3 Å²	23.3	37%	0.366	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-6.2	172.6	-60.3	-177.2	0	0	0	113.4	P20 N335 S336 G360	P20-L358 WeakPolarHBondContact CA-O 3.45Å; P20-L358 HydrophobicContact CB-CB 4.32Å; P20-L358 HydrophobicContact CB-CD2 4.11Å; P20-L358 WeakPolarHBondContact CB-O 3.09Å; N335-L358 HydrophobicContact CB-CB 4.07Å; S336-L358 PolarHBondContact O-N 3.44Å; L358-G360 VanDerWaalsContact C-N 3.27Å
359	D	94.2	Very high	92.2	Very high	42 Å²	42	19.9 Å²	19.9	23%	0.225	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.9	169.2	59.7	28.5	0	0	0	113.4	H333 Q334 N335 S357 S361	H333-D359 WeakPolarHBondContact CA-OD2 3.45Å; H333-D359 WeakPolarHBondContact CB-OD2 3.24Å; H333-D359 IonicContact CG-OD2 2.85Å; H333-D359 IonicContact ND1-OD1 3.75Å; H333-D359 IonicContact ND1-OD2 2.88Å; H333-D359 PolarHBondContact ND1-OD2 3.16Å; H333-D359 VanDerWaalsContact ND1-OD2 3.08Å; Q334-D359 HydrophobicContact CB-CB 4.26Å; Q334-D359 PolarHBondContact N-OD2 2.82Å; N335-D359 HydrophobicContact CB-CB 3.86Å; N335-D359 PolarHBondContact N-OD2 3.42Å; S357-D359 WeakPolarHBondContact CB-OD1 3.42Å; S357-D359 WeakPolarHBondContact CB-OD2 3.23Å; S357-D359 PolarHBondContact O-N 3.21Å; S357-D359 PolarHBondContact OG-N 3.16Å; S357-D359 VanDerWaalsContact OG-N 3.17Å; S357-D359 PolarHBondContact OG-OD1 2.96Å; S357-D359 VanDerWaalsContact OG-OD1 3.12Å; S357-D359 PolarHBondContact OG-OD2 3.07Å; D359-S361 VanDerWaalsContact CG-OG 3.28Å; D359-S361 WeakPolarHBondContact OD1-CB 3.33Å; D359-S361 PolarHBondContact OD1-N 2.89Å; D359-S361 PolarHBondContact OD1-OG 2.94Å; D359-S361 PolarHBondContact OD2-OG 3.08Å
360	G	94.6	Very high	90	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.01	11%	0.114	C	C	.	.	S	Bend	trans	89.9	4.1	179.9	0	0	0	0	0	115.4	G19 I21 S357 L358	G19-G360 WeakPolarHBondContact O-CA 3.31Å; I21-G360 WeakPolarHBondContact CD1-O 3.16Å; S357-G360 PolarHBondContact O-N 3.2Å; S357-G360 VanDerWaalsContact O-N 3.08Å; L358-G360 VanDerWaalsContact C-N 3.27Å
361	S	95.4	Very high	87.2	Confident	4 Å²	4	25.4 Å²	25.4	3%	0.028	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	152.9	179.4	69.7	0	0	0	0	113.4	F14 H333 S357 D359	F14-S361 CarbonylContact O-C 3.6Å; F14-S361 WeakPolarHBondContact O-CA 3.32Å; F14-S361 WeakPolarHBondContact O-CB 3.18Å; H333-S361 PolarHBondContact CE1-OG 3.12Å; H333-S361 VanDerWaalsContact CE1-OG 3.24Å; H333-S361 PolarHBondContact ND1-OG 2.71Å; S357-S361 PolarHBondContact N-O 3.07Å; D359-S361 VanDerWaalsContact CG-OG 3.28Å; D359-S361 WeakPolarHBondContact OD1-CB 3.33Å; D359-S361 PolarHBondContact OD1-N 2.89Å; D359-S361 PolarHBondContact OD1-OG 2.94Å; D359-S361 PolarHBondContact OD2-OG 3.08Å
362	I	96.8	Very high	84.3	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.2	167.2	-62.1	-174	0	0	0	108.5	F14 F16 I21 H24 W26 I33 I35 T355 A356	F14-I362 PolarHBondContact N-O 3.04Å; F14-I362 PolarHBondContact O-N 2.73Å; F16-I362 HydrophobicContact CE2-CB 4.21Å; F16-I362 HydrophobicContact CE2-CD1 3.84Å; F16-I362 HydrophobicContact CE2-CG1 4.01Å; I21-I362 HydrophobicContact CD1-CD1 3.93Å; I21-I362 HydrophobicContact CD1-CG1 3.46Å; I21-I362 VanDerWaalsContact CD1-CG1 3.46Å; H24-I362 HydrophobicContact CB-CD1 4.4Å; W26-I362 HydrophobicContact CZ2-CG2 4.47Å; I33-I362 HydrophobicContact CD1-CD1 3.27Å; I35-I362 HydrophobicContact CD1-CD1 3.58Å; I35-I362 HydrophobicContact CG1-CD1 4.03Å; T355-I362 CarbonylContact O-C 3.56Å; T355-I362 VanDerWaalsContact O-CA 3.24Å; T355-I362 WeakPolarHBondContact O-CA 3.35Å; A356-I362 HydrophobicContact CB-CG1 4.27Å
363	I	96.3	Very high	80.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.8	176.2	-55.4	177.4	0	0	0	109.6	V11 Q12 Q13 L332 S354 T355 W365	V11-I363 HydrophobicContact CB-CG2 4.28Å; Q12-I363 CarbonylContact O-C 3.58Å; Q12-I363 VanDerWaalsContact O-CA 3.31Å; Q12-I363 WeakPolarHBondContact O-CA 3.34Å; Q13-I363 HydrophobicContact CB-CG1 4.03Å; Q13-I363 HydrophobicContact CG-CD1 4.3Å; Q13-I363 HydrophobicContact CG-CG1 3.9Å; L332-I363 HydrophobicContact CB-CD1 3.49Å; L332-I363 VanDerWaalsContact CB-CD1 3.49Å; L332-I363 HydrophobicContact CD1-CD1 4.42Å; S354-I363 CarbonylContact C-O 3.58Å; S354-I363 VanDerWaalsContact CA-O 3.29Å; S354-I363 WeakPolarHBondContact CA-O 3.48Å; T355-I363 PolarHBondContact N-O 3.3Å; T355-I363 PolarHBondContact O-N 2.89Å; I363-W365 HydrophobicContact CB-CZ2 3.92Å; I363-W365 HydrophobicContact CD1-CZ2 3.93Å; I363-W365 HydrophobicContact CG2-CD2 3.98Å; I363-W365 HydrophobicContact CG2-CG 4.41Å; I363-W365 HydrophobicContact CG2-CH2 4.25Å; I363-W365 HydrophobicContact CG2-CZ2 3.57Å; I363-W365 VanDerWaalsContact O-CD1 3.24Å; I363-W365 PolarHBondContact O-NE1 3.12Å
364	L	95.7	Very high	77.6	Confident	13 Å²	13	39.3 Å²	39.3	7%	0.068	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.3	169.7	-60.5	-176.3	0	0	0	110.4	V11 Q12 F14 W26 H343 V352	V11-L364 WeakPolarHBondContact CA-O 3.41Å; Q12-L364 HydrophobicContact CB-CB 4.29Å; Q12-L364 PolarHBondContact N-O 3.07Å; Q12-L364 PolarHBondContact O-N 3.21Å; F14-L364 HydrophobicContact CE2-CD1 3.72Å; F14-L364 HydrophobicContact CE2-CG 3.84Å; F14-L364 HydrophobicContact CZ-CD1 4.21Å; W26-L364 HydrophobicContact CH2-CD2 4.24Å; W26-L364 HydrophobicContact CZ2-CD2 3.76Å; H343-L364 HydrophobicContact CB-CD2 4.3Å; V352-L364 HydrophobicContact CG1-CB 4.12Å
365	W	95	Very high	74.2	Confident	7 Å²	7	45.6 Å²	45.6	3%	0.027	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.5	-175.5	-55.4	86.4	0	0	0	109.6	V11 P280 D298 L332 V352 F353 T355 I363	V11-W365 HydrophobicContact CG1-CD2 4.34Å; V11-W365 HydrophobicContact CG1-CE3 3.64Å; V11-W365 HydrophobicContact CG1-CZ3 3.99Å; P280-W365 HydrophobicContact CG-CD2 4.05Å; P280-W365 HydrophobicContact CG-CE3 4.19Å; P280-W365 HydrophobicContact CG-CH2 3.73Å; P280-W365 HydrophobicContact CG-CZ2 3.56Å; P280-W365 HydrophobicContact CG-CZ3 4.05Å; D298-W365 HydrophobicContact CB-CH2 3.77Å; D298-W365 HydrophobicContact CB-CZ3 3.98Å; L332-W365 HydrophobicContact CD1-CH2 3.77Å; L332-W365 HydrophobicContact CD1-CZ3 4.11Å; V352-W365 WeakPolarHBondContact CA-O 3.18Å; F353-W365 HydrophobicContact CD1-CB 3.77Å; F353-W365 HydrophobicContact CD2-CB 4.12Å; F353-W365 AromaticContact CD2-CD1 3.73Å; F353-W365 HydrophobicContact CD2-CG 4.15Å; F353-W365 HydrophobicContact CE1-CB 3.3Å; F353-W365 HydrophobicContact CE1-CG 4Å; F353-W365 HydrophobicContact CE2-CB 3.69Å; F353-W365 AromaticContact CE2-CD1 3.29Å; F353-W365 HydrophobicContact CE2-CD2 4.33Å; F353-W365 AromaticContact CE2-CG 3.5Å; F353-W365 HydrophobicContact CE2-CG 3.5Å; F353-W365 VanDerWaalsContact CE2-CG 3.5Å; F353-W365 AromaticContact CE2-NE1 3.99Å; F353-W365 HydrophobicContact CG-CB 4.16Å; F353-W365 HydrophobicContact CZ-CB 3.25Å; F353-W365 AromaticContact CZ-CD1 3.73Å; F353-W365 HydrophobicContact CZ-CD2 4.13Å; F353-W365 AromaticContact CZ-CG 3.4Å; F353-W365 HydrophobicContact CZ-CG 3.4Å; F353-W365 PolarHBondContact N-O 2.59Å; F353-W365 PolarHBondContact O-N 3.02Å; T355-W365 VanDerWaalsContact CG2-NE1 3.32Å; T355-W365 PolarHBondContact OG1-NE1 3.29Å; I363-W365 HydrophobicContact CB-CZ2 3.92Å; I363-W365 HydrophobicContact CD1-CZ2 3.93Å; I363-W365 HydrophobicContact CG2-CD2 3.98Å; I363-W365 HydrophobicContact CG2-CG 4.41Å; I363-W365 HydrophobicContact CG2-CH2 4.25Å; I363-W365 HydrophobicContact CG2-CZ2 3.57Å; I363-W365 VanDerWaalsContact O-CD1 3.24Å; I363-W365 PolarHBondContact O-NE1 3.12Å
366	P	92.6	Very high	70.8	Confident	44 Å²	44	53 Å²	53	29%	0.286	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.1	171	27.5	-30.3	0	0	0	110.5	A9 T351	A9-P366 HydrophobicContact CB-CB 4.03Å; A9-P366 HydrophobicContact CB-CG 3.86Å; A9-P366 VanDerWaalsContact O-CG 3.31Å; A9-P366 WeakPolarHBondContact O-CG 3.38Å; T351-P366 CarbonylContact O-C 3.6Å; T351-P366 WeakPolarHBondContact O-CA 3.45Å
367	L	88.7	Confident	67.5	Low	18 Å²	18	60.5 Å²	60.5	9%	0.094	33%	0.332	C	S	.	.			trans	-109.4	129.6	173.2	-72.4	173.2	0	0	0	109.4	V266 V272 L297 V350 T351 F353 V369	V266-L367 HydrophobicContact CB-CD1 3.7Å; V266-L367 HydrophobicContact CG1-CD1 3.57Å; V266-L367 HydrophobicContact CG2-CD1 4.04Å; V272-L367 HydrophobicContact CG2-CD1 4.47Å; L297-L367 HydrophobicContact CD1-CD2 4.43Å; L297-L367 HydrophobicContact CD2-CD2 4.43Å; V350-L367 HydrophobicContact CG1-CD1 4.49Å; T351-L367 PolarHBondContact O-N 2.85Å; F353-L367 HydrophobicContact CD1-CD1 3.61Å; F353-L367 HydrophobicContact CD1-CD2 4.37Å; F353-L367 HydrophobicContact CD1-CG 3.82Å; F353-L367 HydrophobicContact CE1-CD1 3.94Å; F353-L367 HydrophobicContact CE1-CD2 3.87Å; F353-L367 HydrophobicContact CE1-CG 3.82Å; L367-V369 PolarHBondContact O-N 2.96Å
368	K	73.7	Confident	64.4	Low	89 Å²	89	67.4 Å²	67.4	39%	0.387	37%	0.369	S	S	.	.			trans	-79.2	110.1	178.5	-174.7	168.9	-175.7	154.4	0	110.2	F3 D8 S370	F3-K368 WeakPolarHBondContact CD1-O 3.29Å; D8-K368 IonicContact OD2-NZ 2.76Å; D8-K368 PolarHBondContact OD2-NZ 3.26Å; K368-S370 PolarHBondContact O-N 3.25Å
369	V	54.9	Low	61.6	Low	51 Å²	51	68.8 Å²	68.8	31%	0.309	39%	0.39	S	S	.	.			trans	-77.5	97.1	163.1	-179.9	0	0	0	0	107.1	M1 F3 E349 T351 L367 P371	M1-V369 HydrophobicContact SD-CG1 4.29Å; F3-V369 HydrophobicContact CE1-CG2 4.33Å; E349-V369 HydrophobicContact CB-CG2 4.25Å; E349-V369 VanDerWaalsContact OE2-CG1 3.24Å; E349-V369 WeakPolarHBondContact OE2-CG1 3.24Å; E349-V369 WeakPolarHBondContact OE2-CG2 3.21Å; T351-V369 HydrophobicContact CG2-CG2 4.02Å; L367-V369 PolarHBondContact O-N 2.96Å; V369-P371 VanDerWaalsContact O-CD 3.23Å; V369-P371 WeakPolarHBondContact O-CD 3.32Å
370	S	44.7	Very low	58.9	Low	41 Å²	41	74 Å²	74	29%	0.287	45%	0.454	S	S	.	.			trans	-77.7	114.2	171.7	55.7	0	0	0	0	108.8	K368 I372	K368-S370 PolarHBondContact O-N 3.25Å; S370-I372 PolarHBondContact O-N 3.45Å
371	P	36.8	Very low	57.1	Low	104 Å²	104	77.7 Å²	77.7	68%	0.675	48%	0.476	S	S	*	.			trans	-64.1	125.7	170.6	26.9	-31.4	0	0	0	107.9	V369 T373	V369-P371 VanDerWaalsContact O-CD 3.23Å; V369-P371 WeakPolarHBondContact O-CD 3.32Å; P371-T373 PolarHBondContact O-N 2.97Å
372	I	32.2	Very low	55.1	Low	109 Å²	109	81.5 Å²	81.5	56%	0.559	50%	0.499	S	S	*	.			trans	-64.4	106.5	167.9	-64.6	170.7	0	0	0	106	M1 S370 V374	M1-I372 HydrophobicContact CG-CD1 3.83Å; M1-I372 HydrophobicContact CG-CG1 4.04Å; S370-I372 PolarHBondContact O-N 3.45Å; I372-V374 VanDerWaalsContact C-N 3.29Å; I372-V374 HydrophobicContact CG2-CG2 4.12Å; I372-V374 PolarHBondContact O-N 2.98Å
373	T	25	Very low	52.8	Low	117 Å²	117	86 Å²	86	72%	0.718	53%	0.527	S	S	*	.			trans	-65	99.2	159	-37.8	0	0	0	0	105.8	P371 I375	P371-T373 PolarHBondContact O-N 2.97Å; T373-I375 HydrophobicContact CG2-CG1 4.43Å; T373-I375 PolarHBondContact O-N 2.9Å
374	V	26.6	Very low	50.2	Low	114 Å²	114	91.1 Å²	91.1	69%	0.691	56%	0.558	S	S	*	*			trans	-65.3	93.4	162.7	178.8	0	0	0	0	104.9	I372 Q376	I372-V374 VanDerWaalsContact C-N 3.29Å; I372-V374 HydrophobicContact CG2-CG2 4.12Å; I372-V374 PolarHBondContact O-N 2.98Å; V374-Q376 HydrophobicContact CG1-CG 4.31Å; V374-Q376 PolarHBondContact O-N 2.86Å
375	I	26.7	Very low	47.4	Very low	132 Å²	132	95.9 Å²	95.9	68%	0.677	59%	0.588	S	S	*	*			trans	-66.7	94.2	159.9	-54.8	175.6	0	0	0	103.5	T373 L377	T373-I375 HydrophobicContact CG2-CG1 4.43Å; T373-I375 PolarHBondContact O-N 2.9Å; I375-L377 PolarHBondContact O-N 2.88Å
376	Q	27.2	Very low	44.2	Very low	156 Å²	156	101.9 Å²	101.9	73%	0.729	63%	0.626	S	S	*	*			trans	-56.1	101	155.9	-87	-179.1	-44.1	0	0	105.1	V374 N378	V374-Q376 HydrophobicContact CG1-CG 4.31Å; V374-Q376 PolarHBondContact O-N 2.86Å; Q376-N378 PolarHBondContact O-N 2.89Å
377	L	28.9	Very low	40.8	Very low	158 Å²	158	106 Å²	106	83%	0.827	65%	0.65	S	S	*	*			trans	-62.6	94.9	156	-71.9	168.8	0	0	0	104.7	I375 A379	I375-L377 PolarHBondContact O-N 2.88Å; L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.32Å
378	N	31.4	Very low	37.1	Very low	145 Å²	145	112.8 Å²	112.8	78%	0.775	69%	0.693	S	S	*	*			trans	-58.1	104.2	159.3	-76.5	-19.3	0	0	0	105.5	Q376 G380	Q376-N378 PolarHBondContact O-N 2.89Å; N378-G380 PolarHBondContact O-N 2.95Å
379	A	36.7	Very low	34	Very low	99 Å²	99	114.8 Å²	114.8	82%	0.818	72%	0.719	S	S	*	*			trans	-61.3	122.1	161.4	0	0	0	0	0	106.7	L377	L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.32Å
380	G	37.1	Very low	32.1	Very low	151 Å²	151	120.5 Å²	120.5	100%	1.557	76%	0.756	S	S	*	*			trans	-74.8	0	167.7	0	0	0	0	0	112.5	N378	N378-G380 PolarHBondContact O-N 2.95Å

Retrieved 380 of 380 residues in 859.3 ms (Link to these results)

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