A0A2J8R8C1_PONAB Loading...

WD repeat domain phosphoinositide-interacting protein 4

Component of the autophagy machinery that controls the major intracellular degradation process by which cytoplasmic materials are packaged into autophagosomes and delivered to lysosomes for degradation. Binds phosphatidylinositol 3-phosphate (PtdIns3P). Activated by the STK11/AMPK signaling pathway upon starvation, WDR45 is involved in autophagosome assembly downstream of WIPI2, regulating the size of forming autophagosomes. Together with WIPI1, promotes ATG2 (ATG2A or ATG2B)-mediated lipid transfer by enhancing ATG2-association with phosphatidylinositol 3-monophosphate (PI3P)-containing membranes. Probably recruited to membranes through its PtdIns3P activity.

AlphaFold DB , UniProt , Accession A0A2J8R8C1, Species PONAB (Pongo abelii, Sumatran orangutan), Gene n/a, Length 361 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	32.4	Very low	61.9	Low	245 Å²	245	110 Å²	110	100%	1.207	58%	0.582	S	S	*	*				0	88.2	0	-77.4	171.5	-172.2	0	0	107.1	Q3	M1-Q3 PolarHBondContact O-N 2.83Å
2	T	28.5	Very low	64.9	Low	141 Å²	141	102.3 Å²	102.3	87%	0.865	54%	0.541	S	S	*	.			trans	-70.9	111.3	171.1	32.3	0	0	0	0	106.9	Q4	T2-Q4 PolarHBondContact O-N 3.08Å; T2-Q4 VanDerWaalsContact O-N 3.12Å
3	Q	32	Very low	67.4	Low	187 Å²	187	100.4 Å²	100.4	87%	0.874	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-55.1	118.5	162.8	-77.3	180	1.8	0	0	106.1	M1	M1-Q3 PolarHBondContact O-N 2.83Å
4	Q	40.7	Very low	69.6	Low	156 Å²	156	94.7 Å²	94.7	73%	0.729	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-55.5	131.1	166.8	-80.9	176.9	-25.7	0	0	106.8	T2 L6	T2-Q4 PolarHBondContact O-N 3.08Å; T2-Q4 VanDerWaalsContact O-N 3.12Å; Q4-L6 PolarHBondContact O-N 3.3Å
5	P	43.8	Very low	71.5	Confident	102 Å²	102	88.6 Å²	88.6	66%	0.662	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-56.7	132.9	176.7	22.6	-30.3	0	0	0	108	R7	P5-R7 WeakPolarHBondContact O-CG 3.44Å; P5-R7 PolarHBondContact O-N 2.94Å
6	L	56.5	Low	73.1	Confident	176 Å²	176	84.7 Å²	84.7	92%	0.921	44%	0.438	S	S	*	.			trans	-52.8	107.3	168.9	-75.7	160.6	0	0	0	106.5	Q4 G8	Q4-L6 PolarHBondContact O-N 3.3Å; L6-G8 PolarHBondContact O-N 3Å
7	R	73.8	Confident	74.3	Confident	86 Å²	86	82.1 Å²	82.1	33%	0.325	43%	0.425	S	S	.	.			trans	-72.2	21.1	-173.7	-63.6	-161	175.2	-155.3	1.1	113.4	P5 V9 D330 L353 D354	P5-R7 WeakPolarHBondContact O-CG 3.44Å; P5-R7 PolarHBondContact O-N 2.94Å; R7-V9 PolarHBondContact O-N 2.95Å; R7-V9 VanDerWaalsContact O-N 3.15Å; R7-D330 WeakPolarHBondContact CD-O 3.47Å; R7-L353 HydrophobicContact CB-CD1 3.54Å; R7-L353 HydrophobicContact CG-CD1 4.23Å; R7-D354 IonicContact CZ-OD1 3.7Å; R7-D354 IonicContact CZ-OD2 3.9Å; R7-D354 VanDerWaalsContact NH1-CG 3.32Å; R7-D354 IonicContact NH1-OD1 3.24Å; R7-D354 PolarHBondContact NH1-OD1 3.28Å; R7-D354 IonicContact NH1-OD2 2.77Å; R7-D354 PolarHBondContact NH1-OD2 2.97Å; R7-D354 IonicContact NH2-OD1 3.15Å; R7-D354 IonicContact NH2-OD2 3.23Å; R7-D354 PolarHBondContact NH2-OD2 3.47Å; R7-D354 VanDerWaalsContact NH2-OD2 3.15Å
8	G	89.9	Confident	75.5	Confident	19 Å²	19	78.4 Å²	78.4	20%	0.196	41%	0.406	C	S	.	.			trans	69.5	7.1	170.6	0	0	0	0	0	115.8	L6 T10 M25 E26	L6-G8 PolarHBondContact O-N 3Å; G8-T10 PolarHBondContact O-N 2.88Å; G8-M25 CarbonylContact O-C 3.5Å; G8-M25 WeakPolarHBondContact O-CA 3.4Å; G8-E26 PolarHBondContact O-N 2.73Å
9	V	94.7	Very high	76.6	Confident	23 Å²	23	74.5 Å²	74.5	14%	0.139	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.4	-179.8	-178.5	0	0	0	0	110.1	R7 L12 M25 V329 L353	R7-V9 PolarHBondContact O-N 2.95Å; R7-V9 VanDerWaalsContact O-N 3.15Å; V9-L12 HydrophobicContact CG1-CD1 4.39Å; V9-L12 HydrophobicContact CG1-CD2 4Å; V9-L12 HydrophobicContact CG1-CG 3.84Å; V9-M25 HydrophobicContact CG2-CE 4.42Å; V9-M25 HydrophobicContact CG2-CG 4.47Å; V9-V329 HydrophobicContact CB-CB 4.34Å; V9-V329 WeakPolarHBondContact CB-O 3.37Å; V9-V329 HydrophobicContact CG1-CB 4.23Å; V9-V329 HydrophobicContact CG1-CG1 4.25Å; V9-V329 WeakPolarHBondContact CG2-O 3.45Å; V9-L353 HydrophobicContact CG2-CD1 3.98Å
10	T	93.9	Very high	77.7	Confident	51 Å²	51	71 Å²	71	31%	0.313	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	-36.3	-178.8	60.4	0	0	0	0	111.8	G8 A24 E26 M51 G52	G8-T10 PolarHBondContact O-N 2.88Å; T10-A24 PolarHBondContact N-O 2.89Å; T10-A24 WeakPolarHBondContact OG1-CB 3.19Å; T10-A24 PolarHBondContact OG1-O 3.33Å; T10-E26 HydrophobicContact CG2-CG 4.41Å; T10-M51 WeakPolarHBondContact CB-O 3.29Å; T10-M51 WeakPolarHBondContact CG2-O 3.31Å; T10-M51 PolarHBondContact OG1-O 2.92Å; T10-G52 PolarHBondContact OG1-O 2.75Å
11	S	95.1	Very high	78.6	Confident	24 Å²	24	67.6 Å²	67.6	17%	0.168	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	152.4	173.6	67.3	0	0	0	0	113.3	A24 G52	S11-A24 PolarHBondContact N-O 3.49Å; S11-A24 PolarHBondContact O-N 3.17Å; S11-A24 WeakPolarHBondContact OG-CB 3.47Å; S11-G52 WeakPolarHBondContact CB-O 3.49Å; S11-G52 PolarHBondContact OG-O 2.99Å
12	L	97.7	Very high	81.8	Confident	17 Å²	17	56 Å²	56	9%	0.089	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	141.8	176.8	-69.6	169.9	0	0	0	109.7	V9 F21 C23 I310 I327 V329	V9-L12 HydrophobicContact CG1-CD1 4.39Å; V9-L12 HydrophobicContact CG1-CD2 4Å; V9-L12 HydrophobicContact CG1-CG 3.84Å; L12-F21 HydrophobicContact CD2-CD2 4.37Å; L12-C23 HydrophobicContact CD2-CB 3.82Å; L12-I310 HydrophobicContact CB-CD1 3.67Å; L12-I310 HydrophobicContact CB-CG1 4.03Å; L12-I310 HydrophobicContact CB-CG2 4.36Å; L12-I327 HydrophobicContact CD1-CG2 3.96Å; L12-I327 WeakPolarHBondContact CD1-O 3.27Å; L12-I327 HydrophobicContact CD2-CG2 4.14Å; L12-V329 HydrophobicContact CD1-CG1 3.83Å; L12-V329 HydrophobicContact CG-CG1 4.37Å
13	R	97.6	Very high	85	Confident	78 Å²	78	49.2 Å²	49.2	29%	0.294	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	131.5	177.7	-173	152.8	-74.2	-90.1	-0.6	112	F21 C22 E55 R110	R13-F21 CarbonylContact O-C 3.49Å; R13-F21 WeakPolarHBondContact O-CA 3.26Å; R13-F21 WeakPolarHBondContact O-CB 3.22Å; R13-C22 PolarHBondContact N-O 2.76Å; R13-C22 PolarHBondContact O-N 3.24Å; R13-C22 PolarHBondContact O-SG 3.39Å; R13-C22 VanDerWaalsContact O-SG 3.4Å; R13-E55 WeakPolarHBondContact CD-OE2 3.41Å; R13-E55 WeakPolarHBondContact CG-OE2 3.37Å; R13-R110 VanDerWaalsContact CZ-CZ 3.47Å; R13-R110 VanDerWaalsContact CZ-NH1 3.27Å; R13-R110 VanDerWaalsContact NH1-NE 3.18Å
14	F	98.2	Very high	88.1	Confident	21 Å²	21	40.3 Å²	40.3	9%	0.092	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	145.6	164.7	-73.2	-74.4	0	0	0	109.6	C20 F21 V34 I310 A312 I327	F14-C20 WeakPolarHBondContact CA-O 3.27Å; F14-F21 HydrophobicContact CD1-CB 4.01Å; F14-F21 HydrophobicContact CE1-CB 4.31Å; F14-V34 HydrophobicContact CD1-CG2 4.12Å; F14-V34 HydrophobicContact CE1-CG2 3.86Å; F14-I310 HydrophobicContact CD2-CB 4.28Å; F14-I310 HydrophobicContact CD2-CD1 3.56Å; F14-I310 HydrophobicContact CD2-CG1 4.04Å; F14-I310 HydrophobicContact CE2-CB 3.97Å; F14-I310 HydrophobicContact CE2-CD1 3.59Å; F14-I310 HydrophobicContact CE2-CG1 3.6Å; F14-I310 HydrophobicContact CG-CD1 4.21Å; F14-I310 HydrophobicContact CZ-CD1 4.27Å; F14-I310 HydrophobicContact CZ-CG1 4.31Å; F14-A312 HydrophobicContact CD1-CB 4.11Å; F14-A312 HydrophobicContact CD2-CB 3.61Å; F14-A312 HydrophobicContact CE1-CB 3.88Å; F14-A312 HydrophobicContact CE2-CB 3.37Å; F14-A312 HydrophobicContact CG-CB 3.99Å; F14-A312 HydrophobicContact CZ-CB 3.52Å; F14-I327 HydrophobicContact CD1-CD1 4.43Å; F14-I327 HydrophobicContact CE1-CD1 3.5Å; F14-I327 VanDerWaalsContact CE1-CD1 3.5Å; F14-I327 HydrophobicContact CE1-CG1 4.41Å; F14-I327 HydrophobicContact CE2-CD1 4.36Å; F14-I327 HydrophobicContact CZ-CD1 3.44Å; F14-I327 VanDerWaalsContact CZ-CD1 3.44Å; F14-I327 HydrophobicContact CZ-CG1 3.92Å
15	N	97.6	Very high	90.7	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.177	C	C	.	.			trans	-67.5	170.9	164	78	-22.6	0	0	0	110.7	D17 Q18 S19 C20 M56 H58	N15-D17 PolarHBondContact ND2-OD1 3.06Å; N15-D17 PolarHBondContact O-N 2.68Å; N15-D17 VanDerWaalsContact O-N 3.11Å; N15-D17 PolarHBondContact OD1-OD1 3.06Å; N15-Q18 PolarHBondContact O-N 3.18Å; N15-Q18 PolarHBondContact OD1-N 2.81Å; N15-S19 PolarHBondContact ND2-OG 2.9Å; N15-S19 PolarHBondContact OD1-N 2.72Å; N15-C20 HydrophobicContact CB-CB 4.41Å; N15-C20 PolarHBondContact N-O 3.12Å; N15-C20 PolarHBondContact OD1-N 3.25Å; N15-C20 PolarHBondContact OD1-O 3.05Å; N15-C20 VanDerWaalsContact OD1-O 3.09Å; N15-M56 HydrophobicContact CB-CB 4.03Å; N15-M56 HydrophobicContact CB-CE 4.45Å; N15-M56 HydrophobicContact CB-SD 4.05Å; N15-H58 PolarHBondContact ND2-O 3.09Å
16	Q	96.7	Very high	93.1	Very high	26 Å²	26	31.1 Å²	31.1	12%	0.121	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.9	-168.5	-68	79.3	-4.8	0	0	113.7	M56 H58 M111 P153 Q203	Q16-M56 PolarHBondContact NE2-O 3.02Å; Q16-M56 PolarHBondContact OE1-O 3.32Å; Q16-H58 VanDerWaalsContact OE1-CA 3.24Å; Q16-M111 PolarHBondContact NE2-O 2.87Å; Q16-P153 HydrophobicContact CB-CB 3.93Å; Q16-P153 HydrophobicContact CG-CB 4.3Å; Q16-Q203 PolarHBondContact O-NE2 2.56Å
17	D	94.4	Very high	94.8	Very high	40 Å²	40	26.5 Å²	26.5	21%	0.214	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	14	177.8	79.6	-32.1	0	0	0	113.2	N15 S19 H248 R315	N15-D17 PolarHBondContact ND2-OD1 3.06Å; N15-D17 PolarHBondContact O-N 2.68Å; N15-D17 VanDerWaalsContact O-N 3.11Å; N15-D17 PolarHBondContact OD1-OD1 3.06Å; D17-S19 PolarHBondContact O-N 2.9Å; D17-S19 WeakPolarHBondContact OD1-CB 3.34Å; D17-S19 PolarHBondContact OD1-N 2.88Å; D17-S19 PolarHBondContact OD1-OG 2.97Å; D17-S19 WeakPolarHBondContact OD2-CB 3.35Å; D17-S19 PolarHBondContact OD2-OG 2.85Å; D17-H248 PolarHBondContact O-NE2 2.84Å; D17-R315 IonicContact OD2-NH2 3.87Å; D17-R315 PolarHBondContact OD2-NH2 2.97Å
18	Q	96.2	Very high	95.8	Very high	16 Å²	16	22.4 Å²	22.4	8%	0.075	12%	0.123	C	C	.	.	S	Bend	trans	56.5	19.6	176.9	-56	172.3	8.8	0	0	114.6	N15 F246 A312	N15-Q18 PolarHBondContact O-N 3.18Å; N15-Q18 PolarHBondContact OD1-N 2.81Å; Q18-F246 PolarHBondContact NE2-O 3.35Å; Q18-A312 HydrophobicContact CB-CB 3.98Å; Q18-A312 HydrophobicContact CG-CB 3.92Å
19	S	96	Very high	96.1	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.028	11%	0.114	C	C	.	.	S	Bend	trans	-98.8	-18.3	-173.6	74.8	0	0	0	0	112.9	N15 D17 V34 R59 R315	N15-S19 PolarHBondContact ND2-OG 2.9Å; N15-S19 PolarHBondContact OD1-N 2.72Å; D17-S19 PolarHBondContact O-N 2.9Å; D17-S19 WeakPolarHBondContact OD1-CB 3.34Å; D17-S19 PolarHBondContact OD1-N 2.88Å; D17-S19 PolarHBondContact OD1-OG 2.97Å; D17-S19 WeakPolarHBondContact OD2-CB 3.35Å; D17-S19 PolarHBondContact OD2-OG 2.85Å; S19-V34 WeakPolarHBondContact O-CB 3.45Å; S19-V34 PolarHBondContact O-N 2.76Å; S19-R59 VanDerWaalsContact C-NH2 3.29Å; S19-R59 PolarHBondContact O-NH2 2.92Å; S19-R59 VanDerWaalsContact OG-CZ 3.29Å; S19-R59 PolarHBondContact OG-NE 2.81Å; S19-R59 PolarHBondContact OG-NH2 2.9Å; S19-R315 VanDerWaalsContact CB-NH2 3.29Å
20	C	97.8	Very high	96.2	Very high	5 Å²	5	23 Å²	23	3%	0.034	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161.9	169.5	-65.8	0	0	0	0	109.4	F14 N15 Y32 M56 R59	F14-C20 WeakPolarHBondContact CA-O 3.27Å; N15-C20 HydrophobicContact CB-CB 4.41Å; N15-C20 PolarHBondContact N-O 3.12Å; N15-C20 PolarHBondContact OD1-N 3.25Å; N15-C20 PolarHBondContact OD1-O 3.05Å; N15-C20 VanDerWaalsContact OD1-O 3.09Å; C20-Y32 CarbonylContact C-O 3.47Å; C20-Y32 WeakPolarHBondContact CA-O 3.5Å; C20-Y32 VanDerWaalsContact CB-O 3.25Å; C20-Y32 WeakPolarHBondContact CB-O 3.24Å; C20-M56 HydrophobicContact CB-CE 3.69Å; C20-M56 HydrophobicContact CB-SD 3.98Å; C20-R59 PolarHBondContact SG-NH2 2.86Å; C20-R59 VanDerWaalsContact SG-NH2 3.45Å
21	F	98.2	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	151.2	164.6	71.2	-83.4	0	0	0	110.7	L12 R13 F14 Y32 V34 L37 I327 Y352	L12-F21 HydrophobicContact CD2-CD2 4.37Å; R13-F21 CarbonylContact O-C 3.49Å; R13-F21 WeakPolarHBondContact O-CA 3.26Å; R13-F21 WeakPolarHBondContact O-CB 3.22Å; F14-F21 HydrophobicContact CD1-CB 4.01Å; F14-F21 HydrophobicContact CE1-CB 4.31Å; F21-Y32 HydrophobicContact CD2-CD2 4.05Å; F21-Y32 HydrophobicContact CE1-CD2 4.13Å; F21-Y32 AromaticContact CE1-CG 3.84Å; F21-Y32 HydrophobicContact CE1-CG 3.84Å; F21-Y32 AromaticContact CE2-CD2 3.34Å; F21-Y32 HydrophobicContact CE2-CD2 3.34Å; F21-Y32 HydrophobicContact CE2-CE2 4.05Å; F21-Y32 AromaticContact CE2-CG 3.92Å; F21-Y32 HydrophobicContact CE2-CG 3.92Å; F21-Y32 VanDerWaalsContact CZ-CB 3.42Å; F21-Y32 HydrophobicContact CZ-CD1 4.35Å; F21-Y32 AromaticContact CZ-CD2 3.4Å; F21-Y32 HydrophobicContact CZ-CD2 3.4Å; F21-Y32 VanDerWaalsContact CZ-CD2 3.4Å; F21-Y32 HydrophobicContact CZ-CE2 4.24Å; F21-Y32 AromaticContact CZ-CG 3.47Å; F21-Y32 HydrophobicContact CZ-CG 3.47Å; F21-Y32 VanDerWaalsContact CZ-CG 3.47Å; F21-Y32 PolarHBondContact N-O 3.44Å; F21-Y32 PolarHBondContact O-N 2.85Å; F21-V34 HydrophobicContact CD1-CG2 3.8Å; F21-L37 HydrophobicContact CE1-CD1 3.76Å; F21-L37 HydrophobicContact CZ-CD1 4.13Å; F21-I327 HydrophobicContact CB-CD1 3.8Å; F21-I327 HydrophobicContact CD1-CD1 3.26Å; F21-I327 HydrophobicContact CD2-CD1 3.73Å; F21-I327 HydrophobicContact CD2-CG2 4.04Å; F21-I327 HydrophobicContact CE1-CD1 3.56Å; F21-I327 HydrophobicContact CE2-CD1 4.03Å; F21-I327 HydrophobicContact CE2-CG2 3.7Å; F21-I327 HydrophobicContact CG-CD1 3.32Å; F21-I327 HydrophobicContact CZ-CD1 3.94Å; F21-I327 HydrophobicContact CZ-CG2 4.07Å; F21-Y352 HydrophobicContact CE2-CD2 4.06Å; F21-Y352 HydrophobicContact CE2-CE2 4.19Å; F21-Y352 HydrophobicContact CE2-CG 4.25Å; F21-Y352 HydrophobicContact CZ-CD1 4.34Å; F21-Y352 HydrophobicContact CZ-CD2 4.15Å; F21-Y352 AromaticContact CZ-CG 3.97Å; F21-Y352 HydrophobicContact CZ-CG 3.97Å
22	C	97.8	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	149.8	172.6	52.2	0	0	0	0	110.2	R13 R30 I31 V54 M56	R13-C22 PolarHBondContact N-O 2.76Å; R13-C22 PolarHBondContact O-N 3.24Å; R13-C22 PolarHBondContact O-SG 3.39Å; R13-C22 VanDerWaalsContact O-SG 3.4Å; C22-R30 CarbonylContact C-O 3.51Å; C22-R30 WeakPolarHBondContact CA-O 3.44Å; C22-I31 HydrophobicContact CB-CG1 4.47Å; C22-V54 HydrophobicContact CB-CB 4.44Å; C22-V54 HydrophobicContact CB-CG1 3.63Å; C22-V54 HydrophobicContact CB-CG2 3.92Å; C22-M56 HydrophobicContact CB-CG 3.89Å; C22-M56 HydrophobicContact CB-SD 3.92Å
23	C	96.6	Very high	96.5	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	111.4	-176.9	-177.1	0	0	0	0	107.7	L12 M25 V29 R30 Y32 Y352	L12-C23 HydrophobicContact CD2-CB 3.82Å; C23-M25 WeakPolarHBondContact SG-CG 3.34Å; C23-V29 CarbonylContact O-C 3.6Å; C23-V29 WeakPolarHBondContact O-CA 3.38Å; C23-R30 HydrophobicContact CB-CB 4.45Å; C23-R30 PolarHBondContact N-O 2.88Å; C23-R30 PolarHBondContact O-N 2.86Å; C23-Y32 HydrophobicContact CB-CE2 4.48Å; C23-Y352 HydrophobicContact CB-CE2 4.47Å
24	A	96.5	Very high	96.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.2	166.9	0	0	0	0	0	108.7	T10 S11 M51 V54	T10-A24 PolarHBondContact N-O 2.89Å; T10-A24 WeakPolarHBondContact OG1-CB 3.19Å; T10-A24 PolarHBondContact OG1-O 3.33Å; S11-A24 PolarHBondContact N-O 3.49Å; S11-A24 PolarHBondContact O-N 3.17Å; S11-A24 WeakPolarHBondContact OG-CB 3.47Å; A24-M51 HydrophobicContact CB-CB 3.98Å; A24-V54 HydrophobicContact CB-CB 4.42Å; A24-V54 HydrophobicContact CB-CG1 3.83Å
25	M	95.7	Very high	96.1	Very high	8 Å²	8	18.2 Å²	18.2	4%	0.039	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	161.9	-171.5	-56.9	178.7	67.1	0	0	111.5	G8 V9 C23 T27 G28 R30 M51 L353	G8-M25 CarbonylContact O-C 3.5Å; G8-M25 WeakPolarHBondContact O-CA 3.4Å; V9-M25 HydrophobicContact CG2-CE 4.42Å; V9-M25 HydrophobicContact CG2-CG 4.47Å; C23-M25 WeakPolarHBondContact SG-CG 3.34Å; M25-T27 PolarHBondContact O-N 2.91Å; M25-G28 WeakPolarHBondContact CA-O 2.95Å; M25-G28 PolarHBondContact N-O 2.95Å; M25-G28 PolarHBondContact O-N 3.44Å; M25-R30 HydrophobicContact SD-CG 3.91Å; M25-M51 PolarHBondContact O-N 3.47Å; M25-L353 HydrophobicContact CE-CD1 4.31Å; M25-L353 HydrophobicContact CE-CD2 3.5Å; M25-L353 VanDerWaalsContact CE-CD2 3.5Å; M25-L353 HydrophobicContact SD-CD2 3.81Å
26	E	93.8	Very high	95.9	Very high	56 Å²	56	22.9 Å²	22.9	26%	0.262	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.3	166.5	-69.1	-64.1	158.9	0	0	112	G8 T10 H45 S50 G69 S70	G8-E26 PolarHBondContact O-N 2.73Å; T10-E26 HydrophobicContact CG2-CG 4.41Å; E26-H45 PolarHBondContact O-CD2 3.48Å; E26-H45 VanDerWaalsContact O-CD2 3.28Å; E26-S50 WeakPolarHBondContact O-CA 3.27Å; E26-S50 VanDerWaalsContact O-CB 3.26Å; E26-S50 WeakPolarHBondContact O-CB 3.44Å; E26-S50 WeakPolarHBondContact OE2-CB 3.32Å; E26-G69 WeakPolarHBondContact OE1-CA 3.45Å; E26-S70 PolarHBondContact OE1-N 3.48Å; E26-S70 WeakPolarHBondContact OE2-CB 3.49Å; E26-S70 PolarHBondContact OE2-N 2.9Å; E26-S70 PolarHBondContact OE2-OG 3.04Å
27	T	93.5	Very high	95.8	Very high	79 Å²	79	23.2 Å²	23.2	49%	0.485	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	11.7	-178.4	53.8	0	0	0	0	114	M25 D44 H45	M25-T27 PolarHBondContact O-N 2.91Å; T27-D44 CarbonylContact O-C 3.54Å; T27-H45 PolarHBondContact O-N 3.43Å
28	G	94.6	Very high	95.9	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.4	-137.9	177.1	0	0	0	0	0	113.8	M25 L43 G49	M25-G28 WeakPolarHBondContact CA-O 2.95Å; M25-G28 PolarHBondContact N-O 2.95Å; M25-G28 PolarHBondContact O-N 3.44Å; G28-L43 CarbonylContact C-O 3.52Å; G28-L43 VanDerWaalsContact CA-O 3.31Å; G28-L43 WeakPolarHBondContact CA-O 3.46Å; G28-G49 WeakPolarHBondContact CA-O 3.42Å; G28-G49 PolarHBondContact N-O 2.88Å
29	V	95.9	Very high	95.8	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.8	-178.7	174.4	0	0	0	0	110.1	C23 I31 H42 L43 M51 V54 L65	C23-V29 CarbonylContact O-C 3.6Å; C23-V29 WeakPolarHBondContact O-CA 3.38Å; V29-I31 HydrophobicContact CG1-CG1 4.35Å; V29-H42 CarbonylContact O-C 3.59Å; V29-H42 WeakPolarHBondContact O-CA 3.48Å; V29-H42 VanDerWaalsContact O-CB 3.23Å; V29-H42 WeakPolarHBondContact O-CB 3.41Å; V29-L43 HydrophobicContact CB-CB 4.27Å; V29-L43 PolarHBondContact N-O 2.9Å; V29-L43 PolarHBondContact O-N 2.81Å; V29-M51 HydrophobicContact CG2-CB 4.05Å; V29-M51 HydrophobicContact CG2-CG 3.71Å; V29-M51 HydrophobicContact CG2-SD 4Å; V29-V54 HydrophobicContact CG1-CB 4.23Å; V29-V54 HydrophobicContact CG1-CG1 4.29Å; V29-V54 HydrophobicContact CG1-CG2 3.8Å; V29-V54 HydrophobicContact CG2-CB 4.3Å; V29-V54 HydrophobicContact CG2-CG2 4.48Å; V29-L65 HydrophobicContact CG2-CD2 3.99Å
30	R	96.8	Very high	95.8	Very high	52 Å²	52	32.6 Å²	32.6	20%	0.196	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145	168.5	-59.6	-167.4	178.9	-175.1	1.1	111.2	C22 C23 M25 Y32 E39 H42 L353	C22-R30 CarbonylContact C-O 3.51Å; C22-R30 WeakPolarHBondContact CA-O 3.44Å; C23-R30 HydrophobicContact CB-CB 4.45Å; C23-R30 PolarHBondContact N-O 2.88Å; C23-R30 PolarHBondContact O-N 2.86Å; M25-R30 HydrophobicContact SD-CG 3.91Å; R30-Y32 HydrophobicContact CB-CD2 4.38Å; R30-Y32 HydrophobicContact CB-CE2 3.49Å; R30-Y32 VanDerWaalsContact CB-CE2 3.49Å; R30-Y32 WeakPolarHBondContact CD-OH 3.37Å; R30-Y32 PolarHBondContact NH1-OH 3.25Å; R30-E39 IonicContact NH1-OE2 2.77Å; R30-H42 HydrophobicContact CB-CB 4.4Å; R30-H42 HydrophobicContact CG-CB 3.87Å; R30-L353 PolarHBondContact NH1-O 2.84Å
31	I	97.5	Very high	95.5	Very high	26 Å²	26	33.8 Å²	33.8	13%	0.133	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.1	-178.8	-57.5	166.5	0	0	0	108.5	C22 V29 K40 G41 M56 L63	C22-I31 HydrophobicContact CB-CG1 4.47Å; V29-I31 HydrophobicContact CG1-CG1 4.35Å; I31-K40 HydrophobicContact CG2-CB 4.25Å; I31-K40 PolarHBondContact O-N 2.94Å; I31-G41 PolarHBondContact N-O 3.18Å; I31-M56 HydrophobicContact CG2-CE 3.6Å; I31-M56 HydrophobicContact CG2-SD 3.9Å; I31-L63 HydrophobicContact CD1-CD1 3.67Å; I31-L63 HydrophobicContact CD1-CD2 3.77Å; I31-L63 HydrophobicContact CD1-CG 4.33Å
32	Y	97.8	Very high	95.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.7	-176.7	-63	-87.1	0	0	0	111.1	C20 F21 C23 R30 M38 E39 Y352	C20-Y32 CarbonylContact C-O 3.47Å; C20-Y32 WeakPolarHBondContact CA-O 3.5Å; C20-Y32 VanDerWaalsContact CB-O 3.25Å; C20-Y32 WeakPolarHBondContact CB-O 3.24Å; F21-Y32 HydrophobicContact CD2-CD2 4.05Å; F21-Y32 HydrophobicContact CE1-CD2 4.13Å; F21-Y32 AromaticContact CE1-CG 3.84Å; F21-Y32 HydrophobicContact CE1-CG 3.84Å; F21-Y32 AromaticContact CE2-CD2 3.34Å; F21-Y32 HydrophobicContact CE2-CD2 3.34Å; F21-Y32 HydrophobicContact CE2-CE2 4.05Å; F21-Y32 AromaticContact CE2-CG 3.92Å; F21-Y32 HydrophobicContact CE2-CG 3.92Å; F21-Y32 VanDerWaalsContact CZ-CB 3.42Å; F21-Y32 HydrophobicContact CZ-CD1 4.35Å; F21-Y32 AromaticContact CZ-CD2 3.4Å; F21-Y32 HydrophobicContact CZ-CD2 3.4Å; F21-Y32 VanDerWaalsContact CZ-CD2 3.4Å; F21-Y32 HydrophobicContact CZ-CE2 4.24Å; F21-Y32 AromaticContact CZ-CG 3.47Å; F21-Y32 HydrophobicContact CZ-CG 3.47Å; F21-Y32 VanDerWaalsContact CZ-CG 3.47Å; F21-Y32 PolarHBondContact N-O 3.44Å; F21-Y32 PolarHBondContact O-N 2.85Å; C23-Y32 HydrophobicContact CB-CE2 4.48Å; R30-Y32 HydrophobicContact CB-CD2 4.38Å; R30-Y32 HydrophobicContact CB-CE2 3.49Å; R30-Y32 VanDerWaalsContact CB-CE2 3.49Å; R30-Y32 WeakPolarHBondContact CD-OH 3.37Å; R30-Y32 PolarHBondContact NH1-OH 3.25Å; Y32-M38 CarbonylContact C-O 3.5Å; Y32-M38 VanDerWaalsContact CA-O 3.31Å; Y32-M38 WeakPolarHBondContact CA-O 3.44Å; Y32-E39 HydrophobicContact CD1-CB 3.87Å; Y32-E39 HydrophobicContact CD1-CG 4.17Å; Y32-E39 HydrophobicContact CE1-CB 3.67Å; Y32-E39 HydrophobicContact CE1-CG 3.82Å; Y32-E39 WeakPolarHBondContact CE1-OE2 3.42Å; Y32-E39 PolarHBondContact OH-OE2 2.84Å; Y32-E39 VanDerWaalsContact OH-OE2 3.04Å; Y32-Y352 HydrophobicContact CD2-CD2 4.27Å; Y32-Y352 HydrophobicContact CE1-CD2 4.46Å; Y32-Y352 VanDerWaalsContact CE1-O 3.26Å; Y32-Y352 WeakPolarHBondContact CE1-O 3.47Å; Y32-Y352 AromaticContact CE2-CD2 3.61Å; Y32-Y352 HydrophobicContact CE2-CD2 3.61Å; Y32-Y352 HydrophobicContact CE2-CE2 4.16Å; Y32-Y352 AromaticContact CZ-CD2 3.75Å; Y32-Y352 PolarHBondContact OH-O 3.4Å
33	N	97	Very high	95.1	Very high	17 Å²	17	39 Å²	39	9%	0.091	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.5	159	-172.4	77.1	0	0	0	108.5	E35 P36 L37 M38 K40 R59	N33-E35 PolarHBondContact ND2-N 3.27Å; N33-E35 PolarHBondContact ND2-O 3.29Å; N33-P36 PolarHBondContact ND2-O 2.65Å; N33-L37 WeakPolarHBondContact O-CA 3.43Å; N33-M38 PolarHBondContact N-O 3.32Å; N33-M38 PolarHBondContact O-N 3.48Å; N33-K40 HydrophobicContact CB-CD 3.99Å; N33-K40 HydrophobicContact CB-CG 3.85Å; N33-R59 VanDerWaalsContact OD1-CZ 3.3Å; N33-R59 PolarHBondContact OD1-NH1 2.9Å; N33-R59 PolarHBondContact OD1-NH2 2.87Å
34	V	95.8	Very high	94.9	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-41.8	-175.8	172.1	0	0	0	0	111.9	F14 S19 F21 L37 I325	F14-V34 HydrophobicContact CD1-CG2 4.12Å; F14-V34 HydrophobicContact CE1-CG2 3.86Å; S19-V34 WeakPolarHBondContact O-CB 3.45Å; S19-V34 PolarHBondContact O-N 2.76Å; F21-V34 HydrophobicContact CD1-CG2 3.8Å; V34-L37 PolarHBondContact O-N 2.94Å; V34-I325 HydrophobicContact CG1-CD1 3.14Å; V34-I325 HydrophobicContact CG1-CG1 4.39Å; V34-I325 HydrophobicContact CG1-CG2 4.32Å
35	E	91.8	Very high	94.7	Very high	44 Å²	44	45.5 Å²	45.5	21%	0.206	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-140.3	112.5	-178.8	-79.1	-178.7	114.9	0	0	111.2	N33 G314 R315 I325 K335	N33-E35 PolarHBondContact ND2-N 3.27Å; N33-E35 PolarHBondContact ND2-O 3.29Å; E35-G314 WeakPolarHBondContact OE2-CA 3.44Å; E35-R315 PolarHBondContact OE2-N 3.2Å; E35-I325 HydrophobicContact CG-CD1 4.03Å; E35-K335 WeakPolarHBondContact OE1-CE 3.38Å; E35-K335 IonicContact OE1-NZ 3.68Å; E35-K335 PolarHBondContact OE1-NZ 2.86Å
36	P	93.1	Very high	94.4	Very high	101 Å²	101	52.8 Å²	52.8	66%	0.656	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	cis	-63	152.3	-10	30.3	-36	0	0	0	111.8	N33 M38	N33-P36 PolarHBondContact ND2-O 2.65Å; P36-M38 PolarHBondContact O-N 3.49Å; P36-M38 VanDerWaalsContact O-N 3.14Å
37	L	95.9	Very high	94.3	Very high	34 Å²	34	53 Å²	53	18%	0.178	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	115.7	173.9	179.8	64.8	0	0	0	109	F21 N33 V34 F333 D350 I355	F21-L37 HydrophobicContact CE1-CD1 3.76Å; F21-L37 HydrophobicContact CZ-CD1 4.13Å; N33-L37 WeakPolarHBondContact O-CA 3.43Å; V34-L37 PolarHBondContact O-N 2.94Å; L37-F333 HydrophobicContact CB-CE1 4.5Å; L37-F333 HydrophobicContact CB-CZ 4.37Å; L37-F333 HydrophobicContact CD1-CD2 3.76Å; L37-F333 HydrophobicContact CD1-CE2 3.89Å; L37-F333 HydrophobicContact CD1-CG 4.3Å; L37-F333 HydrophobicContact CD2-CB 3.83Å; L37-F333 HydrophobicContact CD2-CD1 3.76Å; L37-F333 HydrophobicContact CD2-CD2 3.93Å; L37-F333 HydrophobicContact CD2-CE1 4.25Å; L37-F333 HydrophobicContact CD2-CE2 4.39Å; L37-F333 HydrophobicContact CD2-CG 3.58Å; L37-F333 HydrophobicContact CG-CD2 4.38Å; L37-F333 HydrophobicContact CG-CE2 4.5Å; L37-F333 HydrophobicContact CG-CG 4.48Å; L37-D350 HydrophobicContact CD2-CB 3.52Å; L37-I355 HydrophobicContact CD1-CD1 4.31Å; L37-I355 HydrophobicContact CD2-CD1 3.49Å; L37-I355 VanDerWaalsContact CD2-CD1 3.49Å; L37-I355 HydrophobicContact CG-CD1 3.51Å
38	M	95.4	Very high	94.2	Very high	105 Å²	105	49.2 Å²	49.2	52%	0.517	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	135.7	-176.3	-175.7	-172.6	174.5	0	0	110.1	Y32 N33 P36 K40	Y32-M38 CarbonylContact C-O 3.5Å; Y32-M38 VanDerWaalsContact CA-O 3.31Å; Y32-M38 WeakPolarHBondContact CA-O 3.44Å; N33-M38 PolarHBondContact N-O 3.32Å; N33-M38 PolarHBondContact O-N 3.48Å; P36-M38 PolarHBondContact O-N 3.49Å; P36-M38 VanDerWaalsContact O-N 3.14Å; M38-K40 PolarHBondContact O-N 3.39Å
39	E	95.3	Very high	94.1	Very high	21 Å²	21	49.1 Å²	49.1	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	129.9	170.7	-163.7	166.7	132.2	0	0	110.3	R30 Y32 H42 C356	R30-E39 IonicContact NH1-OE2 2.77Å; Y32-E39 HydrophobicContact CD1-CB 3.87Å; Y32-E39 HydrophobicContact CD1-CG 4.17Å; Y32-E39 HydrophobicContact CE1-CB 3.67Å; Y32-E39 HydrophobicContact CE1-CG 3.82Å; Y32-E39 WeakPolarHBondContact CE1-OE2 3.42Å; Y32-E39 PolarHBondContact OH-OE2 2.84Å; Y32-E39 VanDerWaalsContact OH-OE2 3.04Å; E39-H42 WeakPolarHBondContact OE1-CB 3.46Å; E39-H42 IonicContact OE1-CE1 2.91Å; E39-H42 IonicContact OE1-CG 2.81Å; E39-H42 IonicContact OE1-ND1 3.76Å; E39-H42 PolarHBondContact OE1-ND1 2.9Å; E39-C356 WeakPolarHBondContact CB-SG 3.43Å; E39-C356 PolarHBondContact OE2-SG 3.07Å
40	K	94.4	Very high	94	Very high	131 Å²	131	49.1 Å²	49.1	57%	0.57	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	-22.9	179.8	-70.6	-60.1	-57.7	167.3	0	112.4	I31 N33 M38	I31-K40 HydrophobicContact CG2-CB 4.25Å; I31-K40 PolarHBondContact O-N 2.94Å; N33-K40 HydrophobicContact CB-CD 3.99Å; N33-K40 HydrophobicContact CB-CG 3.85Å; M38-K40 PolarHBondContact O-N 3.39Å
41	G	92.7	Very high	93.9	Very high	30 Å²	30	46.8 Å²	46.8	31%	0.309	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	165.3	162	179.2	0	0	0	0	0	110.4	I31	I31-G41 PolarHBondContact N-O 3.18Å
42	H	93.9	Very high	93.8	Very high	100 Å²	100	46.3 Å²	46.3	46%	0.463	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	159.3	174.2	60.6	-101.4	0	0	0	110.5	V29 R30 E39	V29-H42 CarbonylContact O-C 3.59Å; V29-H42 WeakPolarHBondContact O-CA 3.48Å; V29-H42 VanDerWaalsContact O-CB 3.23Å; V29-H42 WeakPolarHBondContact O-CB 3.41Å; R30-H42 HydrophobicContact CB-CB 4.4Å; R30-H42 HydrophobicContact CG-CB 3.87Å; E39-H42 WeakPolarHBondContact OE1-CB 3.46Å; E39-H42 IonicContact OE1-CE1 2.91Å; E39-H42 IonicContact OE1-CG 2.81Å; E39-H42 IonicContact OE1-ND1 3.76Å; E39-H42 PolarHBondContact OE1-ND1 2.9Å
43	L	93.3	Very high	93.7	Very high	8 Å²	8	48.4 Å²	48.4	4%	0.042	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	117.4	167.2	-53	178.5	0	0	0	106.5	G28 V29 Q47 V48 L63 L65 W83	G28-L43 CarbonylContact C-O 3.52Å; G28-L43 VanDerWaalsContact CA-O 3.31Å; G28-L43 WeakPolarHBondContact CA-O 3.46Å; V29-L43 HydrophobicContact CB-CB 4.27Å; V29-L43 PolarHBondContact N-O 2.9Å; V29-L43 PolarHBondContact O-N 2.81Å; L43-Q47 VanDerWaalsContact CA-OE1 3.29Å; L43-V48 HydrophobicContact CB-CG1 3.83Å; L43-V48 HydrophobicContact CB-CG2 3.85Å; L43-V48 HydrophobicContact CD1-CG1 3.83Å; L43-V48 HydrophobicContact CG-CG1 4.43Å; L43-L63 HydrophobicContact CD1-CD1 4.12Å; L43-L65 HydrophobicContact CD1-CD1 4.06Å; L43-W83 HydrophobicContact CD1-CD2 3.95Å; L43-W83 HydrophobicContact CD1-CE3 4.44Å; L43-W83 HydrophobicContact CD1-CG 4.12Å; L43-W83 HydrophobicContact CD1-CZ2 4.34Å; L43-W83 HydrophobicContact CD2-CH2 4.47Å; L43-W83 HydrophobicContact CD2-CZ2 3.62Å
44	D	92.3	Very high	93.7	Very high	59 Å²	59	47.8 Å²	47.8	32%	0.316	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	175	-175.3	67	31.6	0	0	0	112.9	T27 E46 Q47 V48	T27-D44 CarbonylContact O-C 3.54Å; D44-E46 PolarHBondContact O-N 3.17Å; D44-E46 WeakPolarHBondContact OD1-CA 3.25Å; D44-E46 WeakPolarHBondContact OD1-CB 3.4Å; D44-E46 PolarHBondContact OD1-N 3.16Å; D44-Q47 PolarHBondContact O-N 3.32Å; D44-Q47 WeakPolarHBondContact OD1-CB 3.02Å; D44-Q47 VanDerWaalsContact OD1-CG 3.27Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.15Å; D44-Q47 PolarHBondContact OD1-N 3.43Å; D44-V48 WeakPolarHBondContact O-CG2 3.47Å; D44-V48 PolarHBondContact O-N 2.89Å
45	H	91.8	Very high	93.8	Very high	78 Å²	78	48 Å²	48	36%	0.361	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-31	178.9	-173.6	-90.9	0	0	0	112.4	E26 T27 Q47 G49	E26-H45 PolarHBondContact O-CD2 3.48Å; E26-H45 VanDerWaalsContact O-CD2 3.28Å; T27-H45 PolarHBondContact O-N 3.43Å; H45-Q47 VanDerWaalsContact C-N 3.33Å; H45-G49 VanDerWaalsContact CD2-C 3.49Å; H45-G49 WeakPolarHBondContact O-CA 3.37Å; H45-G49 PolarHBondContact O-N 2.81Å
46	E	90.8	Very high	94.1	Very high	162 Å²	162	46.3 Å²	46.3	76%	0.757	24%	0.241	S	C	*	.	H	α-helix	trans	-70.1	-34.2	177.2	-62.6	-171.5	175	0	0	111.4	D44 K73	D44-E46 PolarHBondContact O-N 3.17Å; D44-E46 WeakPolarHBondContact OD1-CA 3.25Å; D44-E46 WeakPolarHBondContact OD1-CB 3.4Å; D44-E46 PolarHBondContact OD1-N 3.16Å; E46-K73 WeakPolarHBondContact O-CD 3.43Å; E46-K73 WeakPolarHBondContact O-CE 3.37Å; E46-K73 PolarHBondContact O-NZ 2.84Å
47	Q	91	Very high	94.3	Very high	59 Å²	59	41.9 Å²	41.9	28%	0.276	21%	0.212	S	C	.	.	H	α-helix	trans	-75.6	-48.4	178.5	-70.5	175.2	-53.2	0	0	111.8	L43 D44 H45 K73 F74 W83	L43-Q47 VanDerWaalsContact CA-OE1 3.29Å; D44-Q47 PolarHBondContact O-N 3.32Å; D44-Q47 WeakPolarHBondContact OD1-CB 3.02Å; D44-Q47 VanDerWaalsContact OD1-CG 3.27Å; D44-Q47 WeakPolarHBondContact OD1-CG 3.15Å; D44-Q47 PolarHBondContact OD1-N 3.43Å; H45-Q47 VanDerWaalsContact C-N 3.33Å; Q47-K73 WeakPolarHBondContact O-CD 3.44Å; Q47-K73 PolarHBondContact O-NZ 2.9Å; Q47-F74 WeakPolarHBondContact O-CE2 3.37Å; Q47-F74 VanDerWaalsContact O-CZ 3.24Å; Q47-F74 WeakPolarHBondContact O-CZ 3.4Å; Q47-W83 HydrophobicContact CB-CH2 4.43Å
48	V	91.6	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-127	-7.5	-169.6	-57.1	0	0	0	0	116.7	L43 D44 M51 L65 K73 F74 W83	L43-V48 HydrophobicContact CB-CG1 3.83Å; L43-V48 HydrophobicContact CB-CG2 3.85Å; L43-V48 HydrophobicContact CD1-CG1 3.83Å; L43-V48 HydrophobicContact CG-CG1 4.43Å; D44-V48 WeakPolarHBondContact O-CG2 3.47Å; D44-V48 PolarHBondContact O-N 2.89Å; V48-M51 HydrophobicContact CB-CG 4.36Å; V48-M51 HydrophobicContact CB-SD 3.88Å; V48-M51 HydrophobicContact CG2-CG 3.79Å; V48-M51 HydrophobicContact CG2-SD 3.89Å; V48-L65 HydrophobicContact CG1-CD1 4.06Å; V48-K73 WeakPolarHBondContact O-CB 3.25Å; V48-F74 HydrophobicContact CB-CE2 4.08Å; V48-F74 HydrophobicContact CG1-CE2 4.06Å; V48-W83 HydrophobicContact CG1-CE3 4.26Å; V48-W83 HydrophobicContact CG1-CH2 4.42Å; V48-W83 HydrophobicContact CG1-CZ3 3.96Å
49	G	92.3	Very high	94.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66.3	-161.5	-173.8	0	0	0	0	0	112.8	G28 H45	G28-G49 WeakPolarHBondContact CA-O 3.42Å; G28-G49 PolarHBondContact N-O 2.88Å; H45-G49 VanDerWaalsContact CD2-C 3.49Å; H45-G49 WeakPolarHBondContact O-CA 3.37Å; H45-G49 PolarHBondContact O-N 2.81Å
50	S	93.9	Very high	94.2	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	140.1	173.2	67.1	0	0	0	0	111.6	E26 G68 S70 S71	E26-S50 WeakPolarHBondContact O-CA 3.27Å; E26-S50 VanDerWaalsContact O-CB 3.26Å; E26-S50 WeakPolarHBondContact O-CB 3.44Å; E26-S50 WeakPolarHBondContact OE2-CB 3.32Å; S50-G68 CarbonylContact C-O 3.6Å; S50-G68 WeakPolarHBondContact CB-O 3.39Å; S50-G68 PolarHBondContact OG-O 3.3Å; S50-S70 PolarHBondContact OG-N 2.87Å; S50-S71 PolarHBondContact N-O 2.88Å; S50-S71 WeakPolarHBondContact OG-CA 3.34Å; S50-S71 PolarHBondContact OG-N 3.08Å; S50-S71 PolarHBondContact OG-O 2.84Å
51	M	95	Very high	94.2	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.6	-172.2	-64.3	-95.8	53.5	0	0	110.7	T10 A24 M25 V29 V48 L65 V66	T10-M51 WeakPolarHBondContact CB-O 3.29Å; T10-M51 WeakPolarHBondContact CG2-O 3.31Å; T10-M51 PolarHBondContact OG1-O 2.92Å; A24-M51 HydrophobicContact CB-CB 3.98Å; M25-M51 PolarHBondContact O-N 3.47Å; V29-M51 HydrophobicContact CG2-CB 4.05Å; V29-M51 HydrophobicContact CG2-CG 3.71Å; V29-M51 HydrophobicContact CG2-SD 4Å; V48-M51 HydrophobicContact CB-CG 4.36Å; V48-M51 HydrophobicContact CB-SD 3.88Å; V48-M51 HydrophobicContact CG2-CG 3.79Å; V48-M51 HydrophobicContact CG2-SD 3.89Å; M51-L65 HydrophobicContact CE-CB 4.23Å; M51-L65 HydrophobicContact SD-CB 4.01Å; M51-L65 HydrophobicContact SD-CD1 4.28Å; M51-L65 HydrophobicContact SD-CD2 4.3Å; M51-L65 HydrophobicContact SD-CG 4.43Å; M51-V66 WeakPolarHBondContact CE-O 3.47Å
52	G	94.6	Very high	94.4	Very high	16 Å²	16	39.8 Å²	39.8	17%	0.165	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	-44.2	176.5	0	0	0	0	0	112.2	T10 S11 V66	T10-G52 PolarHBondContact OG1-O 2.75Å; S11-G52 WeakPolarHBondContact CB-O 3.49Å; S11-G52 PolarHBondContact OG-O 2.99Å; G52-V66 PolarHBondContact N-O 2.84Å
53	L	96.4	Very high	94.5	Very high	44 Å²	44	35.3 Å²	35.3	23%	0.23	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	144.1	-179.7	-50.7	167.9	0	0	0	110.5	V66	L53-V66 HydrophobicContact CB-CB 3.92Å; L53-V66 HydrophobicContact CB-CG2 4.14Å; L53-V66 HydrophobicContact CD1-CB 4.11Å; L53-V66 HydrophobicContact CD1-CG1 4.33Å; L53-V66 HydrophobicContact CD1-CG2 4.1Å; L53-V66 HydrophobicContact CG-CB 4.27Å; L53-V66 PolarHBondContact N-O 2.96Å; L53-V66 VanDerWaalsContact N-O 3.17Å; L53-V66 PolarHBondContact O-N 3.38Å
54	V	97.4	Very high	94.7	Very high	4 Å²	4	35 Å²	35	2%	0.024	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.2	166.3	55.6	0	0	0	0	108.7	C22 A24 V29 A64 L65	C22-V54 HydrophobicContact CB-CB 4.44Å; C22-V54 HydrophobicContact CB-CG1 3.63Å; C22-V54 HydrophobicContact CB-CG2 3.92Å; A24-V54 HydrophobicContact CB-CB 4.42Å; A24-V54 HydrophobicContact CB-CG1 3.83Å; V29-V54 HydrophobicContact CG1-CB 4.23Å; V29-V54 HydrophobicContact CG1-CG1 4.29Å; V29-V54 HydrophobicContact CG1-CG2 3.8Å; V29-V54 HydrophobicContact CG2-CB 4.3Å; V29-V54 HydrophobicContact CG2-CG2 4.48Å; V54-A64 CarbonylContact C-O 3.57Å; V54-A64 WeakPolarHBondContact CA-O 3.18Å; V54-L65 HydrophobicContact CB-CD2 4.24Å; V54-L65 HydrophobicContact CG2-CD2 3.88Å
55	E	97.9	Very high	95	Very high	9 Å²	9	32.2 Å²	32.2	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	129	173.3	175.1	70.7	146.1	0	0	109.6	R13 L63 A64 V109 M111	R13-E55 WeakPolarHBondContact CD-OE2 3.41Å; R13-E55 WeakPolarHBondContact CG-OE2 3.37Å; E55-L63 WeakPolarHBondContact O-CA 3.48Å; E55-A64 HydrophobicContact CB-CB 4.29Å; E55-A64 PolarHBondContact N-O 2.85Å; E55-A64 PolarHBondContact O-N 3.14Å; E55-V109 HydrophobicContact CB-CB 4.32Å; E55-V109 HydrophobicContact CB-CG1 4.42Å; E55-M111 HydrophobicContact CG-CB 4.3Å; E55-M111 HydrophobicContact CG-CG 3.9Å; E55-M111 HydrophobicContact CG-SD 4.14Å
56	M	97.8	Very high	95.2	Very high	9 Å²	9	28.6 Å²	28.6	4%	0.044	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	146.5	175.6	-63.8	175.1	70.8	0	0	110	N15 Q16 C20 C22 I31 L63	N15-M56 HydrophobicContact CB-CB 4.03Å; N15-M56 HydrophobicContact CB-CE 4.45Å; N15-M56 HydrophobicContact CB-SD 4.05Å; Q16-M56 PolarHBondContact NE2-O 3.02Å; Q16-M56 PolarHBondContact OE1-O 3.32Å; C20-M56 HydrophobicContact CB-CE 3.69Å; C20-M56 HydrophobicContact CB-SD 3.98Å; C22-M56 HydrophobicContact CB-CG 3.89Å; C22-M56 HydrophobicContact CB-SD 3.92Å; I31-M56 HydrophobicContact CG2-CE 3.6Å; I31-M56 HydrophobicContact CG2-SD 3.9Å; M56-L63 HydrophobicContact CB-CD2 4.43Å; M56-L63 HydrophobicContact CG-CD2 3.86Å
57	L	96.9	Very high	95.4	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.042	11%	0.109	C	C	.	.			trans	-95.6	96.2	161.5	178.2	64.1	0	0	0	110.1	R59 S60 L62 M111 F129	L57-R59 PolarHBondContact O-N 3.02Å; L57-S60 WeakPolarHBondContact CB-OG 3.45Å; L57-S60 VanDerWaalsContact O-CB 3.31Å; L57-S60 WeakPolarHBondContact O-CB 3.46Å; L57-S60 PolarHBondContact O-N 2.88Å; L57-S60 PolarHBondContact O-OG 2.81Å; L57-L62 HydrophobicContact CB-CB 4.36Å; L57-L62 HydrophobicContact CD2-CB 4.48Å; L57-L62 HydrophobicContact CD2-CD1 4.16Å; L57-L62 PolarHBondContact N-O 3.02Å; L57-M111 HydrophobicContact CB-CB 4.47Å; L57-M111 HydrophobicContact CB-CE 3.89Å; L57-M111 HydrophobicContact CB-SD 4.3Å; L57-M111 HydrophobicContact CD1-CB 4Å; L57-M111 HydrophobicContact CD2-CE 4.33Å; L57-F129 HydrophobicContact CD2-CD1 4.38Å; L57-F129 HydrophobicContact CD2-CE1 3.92Å
58	H	95	Very high	95.4	Very high	35 Å²	35	18.8 Å²	18.8	16%	0.162	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	-119.3	-176.7	-66.5	-88.9	0	0	0	111.7	N15 Q16 H113	N15-H58 PolarHBondContact ND2-O 3.09Å; Q16-H58 VanDerWaalsContact OE1-CA 3.24Å; H58-H113 AromaticContact CD2-CD2 3.72Å; H58-H113 AromaticContact CD2-CE1 3.56Å; H58-H113 AromaticContact CD2-NE2 3.25Å; H58-H113 PolarHBondContact CD2-NE2 2.92Å; H58-H113 AromaticContact CG-NE2 3.8Å; H58-H113 AromaticContact NE2-CD2 3.58Å; H58-H113 AromaticContact NE2-NE2 3.44Å; H58-H113 PolarHBondContact NE2-NE2 2.81Å
59	R	95	Very high	95.1	Very high	114 Å²	114	21 Å²	21	43%	0.43	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	30.5	171.4	-68.5	-170.6	170.5	-124.2	-5.2	111.4	S19 C20 N33 L57	S19-R59 VanDerWaalsContact C-NH2 3.29Å; S19-R59 PolarHBondContact O-NH2 2.92Å; S19-R59 VanDerWaalsContact OG-CZ 3.29Å; S19-R59 PolarHBondContact OG-NE 2.81Å; S19-R59 PolarHBondContact OG-NH2 2.9Å; C20-R59 PolarHBondContact SG-NH2 2.86Å; C20-R59 VanDerWaalsContact SG-NH2 3.45Å; N33-R59 VanDerWaalsContact OD1-CZ 3.3Å; N33-R59 PolarHBondContact OD1-NH1 2.9Å; N33-R59 PolarHBondContact OD1-NH2 2.87Å; L57-R59 PolarHBondContact O-N 3.02Å
60	S	95	Very high	94.9	Very high	44 Å²	44	25.8 Å²	25.8	31%	0.308	16%	0.157	S	C	.	.	S	Bend	trans	-81.9	175.1	173.6	74.5	0	0	0	0	111.3	L57 L62	L57-S60 WeakPolarHBondContact CB-OG 3.45Å; L57-S60 VanDerWaalsContact O-CB 3.31Å; L57-S60 WeakPolarHBondContact O-CB 3.46Å; L57-S60 PolarHBondContact O-N 2.88Å; L57-S60 PolarHBondContact O-OG 2.81Å; S60-L62 VanDerWaalsContact C-N 3.25Å; S60-L62 PolarHBondContact O-N 2.86Å; S60-L62 PolarHBondContact OG-N 2.89Å
61	N	93.8	Very high	94.7	Very high	65 Å²	65	28.6 Å²	28.6	35%	0.348	18%	0.177	S	C	.	.	S	Bend	trans	-76.4	-4.6	173.2	53.9	-59.4	0	0	0	114.1	D84 D85 A86	N61-D84 PolarHBondContact ND2-OD1 3.29Å; N61-D84 PolarHBondContact ND2-OD2 3.4Å; N61-D85 PolarHBondContact O-N 3.4Å; N61-A86 HydrophobicContact CB-CB 3.72Å
62	L	96.4	Very high	94.4	Very high	19 Å²	19	31.2 Å²	31.2	10%	0.099	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127.7	-177	-61.6	-179.9	0	0	0	111.9	L57 S60 I82 W83 D84 F129 P130	L57-L62 HydrophobicContact CB-CB 4.36Å; L57-L62 HydrophobicContact CD2-CB 4.48Å; L57-L62 HydrophobicContact CD2-CD1 4.16Å; L57-L62 PolarHBondContact N-O 3.02Å; S60-L62 VanDerWaalsContact C-N 3.25Å; S60-L62 PolarHBondContact O-N 2.86Å; S60-L62 PolarHBondContact OG-N 2.89Å; L62-I82 HydrophobicContact CD2-CG2 4.26Å; L62-W83 WeakPolarHBondContact CA-O 3.08Å; L62-D84 HydrophobicContact CD2-CB 3.82Å; L62-F129 HydrophobicContact CD1-CE1 3.73Å; L62-F129 HydrophobicContact CD1-CZ 3.91Å; L62-P130 HydrophobicContact CD1-CB 4.01Å
63	L	97.1	Very high	93.9	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.6	174.4	-54.2	169.1	0	0	0	109.6	I31 L43 E55 M56 L65 I82 W83	I31-L63 HydrophobicContact CD1-CD1 3.67Å; I31-L63 HydrophobicContact CD1-CD2 3.77Å; I31-L63 HydrophobicContact CD1-CG 4.33Å; L43-L63 HydrophobicContact CD1-CD1 4.12Å; E55-L63 WeakPolarHBondContact O-CA 3.48Å; M56-L63 HydrophobicContact CB-CD2 4.43Å; M56-L63 HydrophobicContact CG-CD2 3.86Å; L63-L65 HydrophobicContact CB-CD2 4.19Å; L63-I82 CarbonylContact O-C 3.56Å; L63-I82 WeakPolarHBondContact O-CA 3.35Å; L63-W83 HydrophobicContact CB-CB 4.29Å; L63-W83 PolarHBondContact N-O 2.93Å; L63-W83 PolarHBondContact O-N 2.86Å
64	A	97.7	Very high	92.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123.9	166.4	0	0	0	0	0	109.8	V54 E55 V80 L81 I82 V109 M111 I116	V54-A64 CarbonylContact C-O 3.57Å; V54-A64 WeakPolarHBondContact CA-O 3.18Å; E55-A64 HydrophobicContact CB-CB 4.29Å; E55-A64 PolarHBondContact N-O 2.85Å; E55-A64 PolarHBondContact O-N 3.14Å; A64-V80 HydrophobicContact CB-CG1 3.96Å; A64-L81 CarbonylContact C-O 3.59Å; A64-L81 WeakPolarHBondContact CA-O 3.48Å; A64-I82 HydrophobicContact CB-CD1 3.77Å; A64-V109 HydrophobicContact CB-CG1 3.88Å; A64-M111 HydrophobicContact CB-SD 3.59Å; A64-M111 VanDerWaalsContact CB-SD 3.59Å; A64-I116 HydrophobicContact CB-CD1 4.43Å
65	L	97.2	Very high	91	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	137.8	-175	-53.6	-179.9	0	0	0	110	V29 L43 V48 M51 V54 L63 V80 L81 W83	V29-L65 HydrophobicContact CG2-CD2 3.99Å; L43-L65 HydrophobicContact CD1-CD1 4.06Å; V48-L65 HydrophobicContact CG1-CD1 4.06Å; M51-L65 HydrophobicContact CE-CB 4.23Å; M51-L65 HydrophobicContact SD-CB 4.01Å; M51-L65 HydrophobicContact SD-CD1 4.28Å; M51-L65 HydrophobicContact SD-CD2 4.3Å; M51-L65 HydrophobicContact SD-CG 4.43Å; V54-L65 HydrophobicContact CB-CD2 4.24Å; V54-L65 HydrophobicContact CG2-CD2 3.88Å; L63-L65 HydrophobicContact CB-CD2 4.19Å; L65-V80 WeakPolarHBondContact O-CA 3.29Å; L65-L81 HydrophobicContact CB-CB 4.32Å; L65-L81 PolarHBondContact N-O 3.21Å; L65-L81 PolarHBondContact O-N 3.22Å; L65-W83 HydrophobicContact CD1-CB 3.88Å; L65-W83 HydrophobicContact CD1-CE3 4.3Å; L65-W83 HydrophobicContact CD1-CG 4.43Å; L65-W83 HydrophobicContact CG-CB 4.37Å
66	V	96.8	Very high	90	Very high	2 Å²	2	43 Å²	43	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.1	172.6	-177.1	0	0	0	0	109	M51 G52 L53 I77 V80 V106 V109	M51-V66 WeakPolarHBondContact CE-O 3.47Å; G52-V66 PolarHBondContact N-O 2.84Å; L53-V66 HydrophobicContact CB-CB 3.92Å; L53-V66 HydrophobicContact CB-CG2 4.14Å; L53-V66 HydrophobicContact CD1-CB 4.11Å; L53-V66 HydrophobicContact CD1-CG1 4.33Å; L53-V66 HydrophobicContact CD1-CG2 4.1Å; L53-V66 HydrophobicContact CG-CB 4.27Å; L53-V66 PolarHBondContact N-O 2.96Å; L53-V66 VanDerWaalsContact N-O 3.17Å; L53-V66 PolarHBondContact O-N 3.38Å; V66-I77 HydrophobicContact CG1-CG1 4.49Å; V66-V80 HydrophobicContact CG2-CB 4.47Å; V66-V80 HydrophobicContact CG2-CG1 4.43Å; V66-V80 HydrophobicContact CG2-CG2 4.01Å; V66-V106 HydrophobicContact CG1-CB 4.13Å; V66-V106 HydrophobicContact CG2-CB 4.48Å; V66-V106 HydrophobicContact CG2-CG1 4.08Å; V66-V109 HydrophobicContact CG2-CG2 3.95Å
67	G	94.1	Very high	89.4	Confident	6 Å²	6	46.5 Å²	46.5	6%	0.062	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	142.6	176	0	0	0	0	0	112.2	I77	G67-I77 WeakPolarHBondContact O-CA 3.4Å
68	G	90.8	Very high	89	Confident	10 Å²	10	46.8 Å²	46.8	10%	0.103	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	-171	178.6	0	0	0	0	0	110.6	S50	S50-G68 CarbonylContact C-O 3.6Å; S50-G68 WeakPolarHBondContact CB-O 3.39Å; S50-G68 PolarHBondContact OG-O 3.3Å
69	G	85.9	Confident	88.9	Confident	46 Å²	46	45.2 Å²	45.2	47%	0.474	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	72.1	-156.4	-176.3	0	0	0	0	0	112.9	E26	E26-G69 WeakPolarHBondContact OE1-CA 3.45Å
70	S	87.6	Confident	89	Confident	101 Å²	101	39.8 Å²	39.8	71%	0.706	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	-24.3	-169.8	61.5	0	0	0	0	115.3	E26 S50	E26-S70 PolarHBondContact OE1-N 3.48Å; E26-S70 WeakPolarHBondContact OE2-CB 3.49Å; E26-S70 PolarHBondContact OE2-N 2.9Å; E26-S70 PolarHBondContact OE2-OG 3.04Å; S50-S70 PolarHBondContact OG-N 2.87Å
71	S	90.2	Very high	89	Confident	58 Å²	58	38.3 Å²	38.3	41%	0.406	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	62.9	-173	-178.6	0	0	0	0	112.9	S50 K73	S50-S71 PolarHBondContact N-O 2.88Å; S50-S71 WeakPolarHBondContact OG-CA 3.34Å; S50-S71 PolarHBondContact OG-N 3.08Å; S50-S71 PolarHBondContact OG-O 2.84Å; S71-K73 PolarHBondContact O-N 2.78Å
72	P	88.3	Confident	89.2	Confident	59 Å²	59	35.2 Å²	35.2	38%	0.383	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	131.3	-179.8	27.4	-34	0	0	0	110.8
73	K	83.6	Confident	89.1	Confident	89 Å²	89	34.3 Å²	34.3	39%	0.387	21%	0.207	S	C	.	.	S	Bend	trans	-80.3	-40.4	179.6	179.9	-177.8	172.9	-168.8	0	112.3	E46 Q47 V48 S71 S92	E46-K73 WeakPolarHBondContact O-CD 3.43Å; E46-K73 WeakPolarHBondContact O-CE 3.37Å; E46-K73 PolarHBondContact O-NZ 2.84Å; Q47-K73 WeakPolarHBondContact O-CD 3.44Å; Q47-K73 PolarHBondContact O-NZ 2.9Å; V48-K73 WeakPolarHBondContact O-CB 3.25Å; S71-K73 PolarHBondContact O-N 2.78Å; K73-S92 PolarHBondContact NZ-OG 3.31Å
74	F	72.7	Confident	89	Confident	34 Å²	34	35.1 Å²	35.1	15%	0.149	21%	0.212	C	C	.	.	S	Bend	trans	-97.2	172.4	177.8	-55.7	-63.3	0	0	0	110.9	Q47 V48 L81 L96	Q47-F74 WeakPolarHBondContact O-CE2 3.37Å; Q47-F74 VanDerWaalsContact O-CZ 3.24Å; Q47-F74 WeakPolarHBondContact O-CZ 3.4Å; V48-F74 HydrophobicContact CB-CE2 4.08Å; V48-F74 HydrophobicContact CG1-CE2 4.06Å; F74-L81 HydrophobicContact CB-CD1 3.3Å; F74-L81 HydrophobicContact CD1-CD1 4.24Å; F74-L81 HydrophobicContact CD2-CD1 3.64Å; F74-L81 HydrophobicContact CE2-CD1 4.49Å; F74-L81 HydrophobicContact CG-CD1 3.47Å; F74-L81 VanDerWaalsContact CG-CD1 3.47Å; F74-L96 HydrophobicContact CD1-CD1 4.07Å; F74-L96 HydrophobicContact CE1-CD1 3.65Å; F74-L96 HydrophobicContact CE2-CD1 4.18Å; F74-L96 HydrophobicContact CZ-CD1 3.72Å
75	S	62.1	Low	88.6	Confident	46 Å²	46	39.1 Å²	39.1	32%	0.322	23%	0.233	S	C	.	.	S	Bend	trans	-27.1	147.7	-178.9	165.8	0	0	0	0	114.9	A79	S75-A79 WeakPolarHBondContact OG-CB 3.33Å
76	E	76.2	Confident	88.3	Confident	150 Å²	150	42.5 Å²	42.5	70%	0.701	26%	0.261	S	S	*	.			trans	-41.3	162.2	169.9	-57.7	-178.8	177.4	0	0	112.8	S78 A79	E76-S78 PolarHBondContact O-N 2.91Å; E76-A79 PolarHBondContact O-N 2.71Å; E76-A79 VanDerWaalsContact O-N 3.08Å
77	I	84.9	Confident	87.8	Confident	83 Å²	83	48.5 Å²	48.5	43%	0.426	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-2.3	178.2	-164.1	167.3	0	0	0	115.5	V66 G67 P105 V106	V66-I77 HydrophobicContact CG1-CG1 4.49Å; G67-I77 WeakPolarHBondContact O-CA 3.4Å; I77-P105 HydrophobicContact CD1-CB 4.49Å; I77-P105 HydrophobicContact CG1-CB 4.23Å; I77-P105 HydrophobicContact CG2-CB 3.68Å; I77-P105 HydrophobicContact CG2-CG 3.8Å; I77-P105 WeakPolarHBondContact O-CA 3.48Å; I77-V106 PolarHBondContact O-N 2.82Å
78	S	88.9	Confident	87.1	Confident	15 Å²	15	57.5 Å²	57.5	11%	0.105	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	1	178.3	58.5	0	0	0	0	115.4	E76 F102	E76-S78 PolarHBondContact O-N 2.91Å; S78-F102 WeakPolarHBondContact CB-O 3.49Å; S78-F102 WeakPolarHBondContact O-CB 3.23Å; S78-F102 WeakPolarHBondContact O-CD2 3.42Å; S78-F102 PolarHBondContact O-N 3.22Å
79	A	93.1	Very high	86	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.8	175	0	0	0	0	0	113.8	S75 E76 F100	S75-A79 WeakPolarHBondContact OG-CB 3.33Å; E76-A79 PolarHBondContact O-N 2.71Å; E76-A79 VanDerWaalsContact O-N 3.08Å; A79-F100 CarbonylContact C-O 3.6Å; A79-F100 VanDerWaalsContact CA-O 3.29Å; A79-F100 WeakPolarHBondContact CA-O 3.35Å
80	V	96.8	Very high	85.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.3	168.8	-172.6	0	0	0	0	108.8	A64 L65 V66 I82 E99 F100 F102 V106 V109 I116 I118	A64-V80 HydrophobicContact CB-CG1 3.96Å; L65-V80 WeakPolarHBondContact O-CA 3.29Å; V66-V80 HydrophobicContact CG2-CB 4.47Å; V66-V80 HydrophobicContact CG2-CG1 4.43Å; V66-V80 HydrophobicContact CG2-CG2 4.01Å; V80-I82 HydrophobicContact CG1-CD1 4.29Å; V80-E99 CarbonylContact O-C 3.42Å; V80-E99 WeakPolarHBondContact O-CA 3.35Å; V80-F100 HydrophobicContact CB-CB 4.24Å; V80-F100 HydrophobicContact CB-CD2 4.34Å; V80-F100 PolarHBondContact N-O 3.31Å; V80-F100 PolarHBondContact O-N 2.76Å; V80-F102 HydrophobicContact CG2-CE2 4.36Å; V80-V106 HydrophobicContact CG2-CB 4.41Å; V80-V106 HydrophobicContact CG2-CG1 3.93Å; V80-V106 HydrophobicContact CG2-CG2 3.91Å; V80-V109 HydrophobicContact CG1-CG1 4.48Å; V80-V109 HydrophobicContact CG1-CG2 4.01Å; V80-V109 HydrophobicContact CG2-CG2 3.83Å; V80-I116 HydrophobicContact CG1-CD1 4.38Å; V80-I118 HydrophobicContact CB-CD1 4.3Å; V80-I118 HydrophobicContact CG2-CD1 3.9Å; V80-I118 HydrophobicContact CG2-CG1 4.12Å; V80-I118 HydrophobicContact CG2-CG2 3.93Å
81	L	95.7	Very high	84.9	Confident	13 Å²	13	65.5 Å²	65.5	7%	0.068	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.3	176.3	-65.1	-178	0	0	0	110.4	A64 L65 F74 L96 E99	A64-L81 CarbonylContact C-O 3.59Å; A64-L81 WeakPolarHBondContact CA-O 3.48Å; L65-L81 HydrophobicContact CB-CB 4.32Å; L65-L81 PolarHBondContact N-O 3.21Å; L65-L81 PolarHBondContact O-N 3.22Å; F74-L81 HydrophobicContact CB-CD1 3.3Å; F74-L81 HydrophobicContact CD1-CD1 4.24Å; F74-L81 HydrophobicContact CD2-CD1 3.64Å; F74-L81 HydrophobicContact CE2-CD1 4.49Å; F74-L81 HydrophobicContact CG-CD1 3.47Å; F74-L81 VanDerWaalsContact CG-CD1 3.47Å; L81-L96 HydrophobicContact CB-CD2 3.95Å; L81-L96 HydrophobicContact CD1-CD1 4.25Å; L81-L96 HydrophobicContact CD1-CD2 4.1Å; L81-E99 HydrophobicContact CD2-CB 3.9Å; L81-E99 HydrophobicContact CD2-CG 3.73Å
82	I	96.7	Very high	84.3	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.9	174.3	-52	-60.8	0	0	0	108.6	L62 L63 A64 V80 L96 V97 L98 F100 I116 F129	L62-I82 HydrophobicContact CD2-CG2 4.26Å; L63-I82 CarbonylContact O-C 3.56Å; L63-I82 WeakPolarHBondContact O-CA 3.35Å; A64-I82 HydrophobicContact CB-CD1 3.77Å; V80-I82 HydrophobicContact CG1-CD1 4.29Å; I82-L96 CarbonylContact O-C 3.57Å; I82-L96 WeakPolarHBondContact O-CA 3.49Å; I82-V97 HydrophobicContact CB-CG2 3.95Å; I82-V97 HydrophobicContact CG2-CG2 3.62Å; I82-V97 WeakPolarHBondContact O-CG2 3.46Å; I82-V97 PolarHBondContact O-N 2.84Å; I82-L98 HydrophobicContact CB-CB 3.86Å; I82-L98 HydrophobicContact CB-CD1 4.35Å; I82-L98 HydrophobicContact CB-CG 4.49Å; I82-L98 HydrophobicContact CG1-CB 3.74Å; I82-L98 HydrophobicContact CG1-CD1 4.14Å; I82-L98 HydrophobicContact CG2-CD1 4.47Å; I82-L98 PolarHBondContact N-O 2.96Å; I82-F100 HydrophobicContact CD1-CE2 4.24Å; I82-F100 HydrophobicContact CG1-CD2 4.44Å; I82-F100 HydrophobicContact CG1-CE2 3.92Å; I82-I116 HydrophobicContact CD1-CD1 3.74Å; I82-F129 HydrophobicContact CD1-CE2 3.98Å; I82-F129 HydrophobicContact CD1-CZ 4.31Å; I82-F129 HydrophobicContact CG1-CE2 3.97Å; I82-F129 HydrophobicContact CG1-CZ 4.45Å; I82-F129 HydrophobicContact CG2-CE2 4.19Å; I82-F129 HydrophobicContact CG2-CZ 3.91Å
83	W	95	Very high	83.9	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.6	175.4	-175.7	-80.4	0	0	0	109.7	L43 Q47 V48 L62 L63 L65 S92 K95 L96	L43-W83 HydrophobicContact CD1-CD2 3.95Å; L43-W83 HydrophobicContact CD1-CE3 4.44Å; L43-W83 HydrophobicContact CD1-CG 4.12Å; L43-W83 HydrophobicContact CD1-CZ2 4.34Å; L43-W83 HydrophobicContact CD2-CH2 4.47Å; L43-W83 HydrophobicContact CD2-CZ2 3.62Å; Q47-W83 HydrophobicContact CB-CH2 4.43Å; V48-W83 HydrophobicContact CG1-CE3 4.26Å; V48-W83 HydrophobicContact CG1-CH2 4.42Å; V48-W83 HydrophobicContact CG1-CZ3 3.96Å; L62-W83 WeakPolarHBondContact CA-O 3.08Å; L63-W83 HydrophobicContact CB-CB 4.29Å; L63-W83 PolarHBondContact N-O 2.93Å; L63-W83 PolarHBondContact O-N 2.86Å; L65-W83 HydrophobicContact CD1-CB 3.88Å; L65-W83 HydrophobicContact CD1-CE3 4.3Å; L65-W83 HydrophobicContact CD1-CG 4.43Å; L65-W83 HydrophobicContact CG-CB 4.37Å; W83-S92 WeakPolarHBondContact CZ3-O 3.4Å; W83-K95 WeakPolarHBondContact CA-O 3.49Å; W83-K95 HydrophobicContact CD2-CB 3.95Å; W83-K95 HydrophobicContact CE3-CB 4.23Å; W83-K95 HydrophobicContact CH2-CB 4.06Å; W83-K95 HydrophobicContact CH2-CD 4.22Å; W83-K95 HydrophobicContact CZ2-CB 3.77Å; W83-K95 HydrophobicContact CZ2-CD 3.38Å; W83-K95 HydrophobicContact CZ2-CG 4.17Å; W83-K95 HydrophobicContact CZ3-CB 4.27Å; W83-L96 HydrophobicContact CE3-CD2 3.68Å; W83-L96 HydrophobicContact CE3-CG 4.08Å; W83-L96 HydrophobicContact CZ3-CD2 4.36Å; W83-L96 HydrophobicContact CZ3-CG 4.36Å
84	D	94.9	Very high	83.9	Confident	24 Å²	24	68.4 Å²	68.4	13%	0.128	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	104.6	172	-177.2	-21.5	0	0	0	109	N61 L62 A86 R87 K95 V97	N61-D84 PolarHBondContact ND2-OD1 3.29Å; N61-D84 PolarHBondContact ND2-OD2 3.4Å; L62-D84 HydrophobicContact CD2-CB 3.82Å; D84-A86 VanDerWaalsContact C-N 3.27Å; D84-A86 PolarHBondContact O-N 2.87Å; D84-A86 WeakPolarHBondContact OD1-CB 3.31Å; D84-A86 PolarHBondContact OD1-N 3.5Å; D84-R87 HydrophobicContact CB-CB 4.49Å; D84-R87 HydrophobicContact CB-CG 4.1Å; D84-R87 PolarHBondContact O-N 2.84Å; D84-R87 PolarHBondContact OD1-N 2.95Å; D84-R87 IonicContact OD2-NE 3.56Å; D84-K95 PolarHBondContact N-O 3.08Å; D84-V97 HydrophobicContact CB-CG1 3.49Å; D84-V97 VanDerWaalsContact CB-CG1 3.49Å; D84-V97 HydrophobicContact CB-CG2 4.16Å
85	D	90	Very high	84.7	Confident	85 Å²	85	68.6 Å²	68.6	46%	0.455	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-22	-177.2	-167.9	47.4	0	0	0	113.5	N61 R87 K95	N61-D85 PolarHBondContact O-N 3.4Å; D85-R87 VanDerWaalsContact C-N 3.3Å; D85-R87 PolarHBondContact O-N 2.84Å; D85-K95 PolarHBondContact O-NZ 3.01Å; D85-K95 IonicContact OD1-NZ 2.81Å; D85-K95 PolarHBondContact OD1-NZ 2.96Å
86	A	89.7	Confident	86.1	Confident	71 Å²	71	68.3 Å²	68.3	59%	0.587	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.6	179.4	0	0	0	0	0	112.8	N61 D84 E88	N61-A86 HydrophobicContact CB-CB 3.72Å; D84-A86 VanDerWaalsContact C-N 3.27Å; D84-A86 PolarHBondContact O-N 2.87Å; D84-A86 WeakPolarHBondContact OD1-CB 3.31Å; D84-A86 PolarHBondContact OD1-N 3.5Å; A86-E88 PolarHBondContact O-N 2.91Å
87	R	87.3	Confident	87	Confident	128 Å²	128	62.9 Å²	62.9	48%	0.483	32%	0.319	S	S	.	.	S	Bend	trans	-67.6	129.7	174.9	-81.4	-171.9	-178.8	-154.6	3.2	111.3	D84 D85 K95 V97	D84-R87 HydrophobicContact CB-CB 4.49Å; D84-R87 HydrophobicContact CB-CG 4.1Å; D84-R87 PolarHBondContact O-N 2.84Å; D84-R87 PolarHBondContact OD1-N 2.95Å; D84-R87 IonicContact OD2-NE 3.56Å; D85-R87 VanDerWaalsContact C-N 3.3Å; D85-R87 PolarHBondContact O-N 2.84Å; R87-K95 HydrophobicContact CB-CG 4.48Å; R87-K95 VanDerWaalsContact O-CE 3.25Å; R87-K95 WeakPolarHBondContact O-CE 3.46Å; R87-V97 VanDerWaalsContact CD-CG1 3.48Å
88	E	77.8	Confident	87.4	Confident	194 Å²	194	61.3 Å²	61.3	91%	0.907	31%	0.311	S	S	*	.			trans	-75.8	132	168.3	-62.9	-176.6	179.5	0	0	109.5	A86	A86-E88 PolarHBondContact O-N 2.91Å
89	G	69.6	Low	87.7	Confident	32 Å²	32	65.9 Å²	65.9	33%	0.33	33%	0.331	S	S	.	.			trans	179.6	138.6	179.6	0	0	0	0	0	109.8	E94	G89-E94 WeakPolarHBondContact CA-OE2 3.38Å
90	K	70	Confident	87.8	Confident	220 Å²	220	66.6 Å²	66.6	96%	0.957	33%	0.333	S	S	*	.	S	Bend	trans	-82.1	-26.8	178.3	-70.7	-171.4	-179.6	-177.7	0	111.5	E94	K90-E94 PolarHBondContact N-OE2 2.79Å
91	D	80.3	Confident	87.8	Confident	73 Å²	73	71 Å²	71	39%	0.39	36%	0.36	S	S	.	.	S	Bend	trans	-95	129.2	175.3	-172.4	-11.5	0	0	0	109.9	K93 E94	D91-K93 PolarHBondContact O-N 2.65Å; D91-K93 PolarHBondContact OD1-N 3.01Å; D91-E94 HydrophobicContact CB-CG 4.24Å; D91-E94 WeakPolarHBondContact O-CB 3.38Å; D91-E94 PolarHBondContact O-N 3.29Å
92	S	76.9	Confident	87.7	Confident	20 Å²	20	71.4 Å²	71.4	14%	0.14	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-43.4	-33.5	168.2	56.9	0	0	0	0	114	K73 W83 E94 K95	K73-S92 PolarHBondContact NZ-OG 3.31Å; W83-S92 WeakPolarHBondContact CZ3-O 3.4Å; S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact O-N 3.24Å; S92-K95 PolarHBondContact O-N 2.86Å
93	K	79.8	Confident	87.6	Confident	138 Å²	138	77.6 Å²	77.6	60%	0.6	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-67.2	-26.4	178.6	-66.9	-179.4	-178.6	176.7	0	113.7	D91 K95 L96	D91-K93 PolarHBondContact O-N 2.65Å; D91-K93 PolarHBondContact OD1-N 3.01Å; K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 PolarHBondContact O-N 3.07Å; K93-L96 PolarHBondContact O-N 2.81Å
94	E	83.3	Confident	87.6	Confident	110 Å²	110	84 Å²	84	51%	0.514	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-74.1	-23.2	179.6	-64	174.5	157.5	0	0	112	G89 K90 D91 S92	G89-E94 WeakPolarHBondContact CA-OE2 3.38Å; K90-E94 PolarHBondContact N-OE2 2.79Å; D91-E94 HydrophobicContact CB-CG 4.24Å; D91-E94 WeakPolarHBondContact O-CB 3.38Å; D91-E94 PolarHBondContact O-N 3.29Å; S92-E94 VanDerWaalsContact C-N 3.29Å; S92-E94 PolarHBondContact O-N 3.24Å
95	K	90	Very high	87.6	Confident	37 Å²	37	85.6 Å²	85.6	16%	0.161	44%	0.439	C	S	.	.	G	3₁₀ helix	trans	-81.1	-12.8	173.2	-67.5	-167.3	173.2	-139.5	0	113.4	W83 D84 D85 R87 S92 K93 V97	W83-K95 WeakPolarHBondContact CA-O 3.49Å; W83-K95 HydrophobicContact CD2-CB 3.95Å; W83-K95 HydrophobicContact CE3-CB 4.23Å; W83-K95 HydrophobicContact CH2-CB 4.06Å; W83-K95 HydrophobicContact CH2-CD 4.22Å; W83-K95 HydrophobicContact CZ2-CB 3.77Å; W83-K95 HydrophobicContact CZ2-CD 3.38Å; W83-K95 HydrophobicContact CZ2-CG 4.17Å; W83-K95 HydrophobicContact CZ3-CB 4.27Å; D84-K95 PolarHBondContact N-O 3.08Å; D85-K95 PolarHBondContact O-NZ 3.01Å; D85-K95 IonicContact OD1-NZ 2.81Å; D85-K95 PolarHBondContact OD1-NZ 2.96Å; R87-K95 HydrophobicContact CB-CG 4.48Å; R87-K95 VanDerWaalsContact O-CE 3.25Å; R87-K95 WeakPolarHBondContact O-CE 3.46Å; S92-K95 PolarHBondContact O-N 2.86Å; K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 PolarHBondContact O-N 3.07Å; K95-V97 PolarHBondContact O-N 3.34Å
96	L	91.3	Very high	87.9	Confident	40 Å²	40	81.6 Å²	81.6	21%	0.209	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	108.2	173.2	-68.7	175.2	0	0	0	110.1	F74 L81 I82 W83 K93	F74-L96 HydrophobicContact CD1-CD1 4.07Å; F74-L96 HydrophobicContact CE1-CD1 3.65Å; F74-L96 HydrophobicContact CE2-CD1 4.18Å; F74-L96 HydrophobicContact CZ-CD1 3.72Å; L81-L96 HydrophobicContact CB-CD2 3.95Å; L81-L96 HydrophobicContact CD1-CD1 4.25Å; L81-L96 HydrophobicContact CD1-CD2 4.1Å; I82-L96 CarbonylContact O-C 3.57Å; I82-L96 WeakPolarHBondContact O-CA 3.49Å; W83-L96 HydrophobicContact CE3-CD2 3.68Å; W83-L96 HydrophobicContact CE3-CG 4.08Å; W83-L96 HydrophobicContact CZ3-CD2 4.36Å; W83-L96 HydrophobicContact CZ3-CG 4.36Å; K93-L96 PolarHBondContact O-N 2.81Å
97	V	94	Very high	88.3	Confident	37 Å²	37	80.5 Å²	80.5	22%	0.224	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-25.5	-169.8	-60	0	0	0	0	114.1	I82 D84 R87 K95	I82-V97 HydrophobicContact CB-CG2 3.95Å; I82-V97 HydrophobicContact CG2-CG2 3.62Å; I82-V97 WeakPolarHBondContact O-CG2 3.46Å; I82-V97 PolarHBondContact O-N 2.84Å; D84-V97 HydrophobicContact CB-CG1 3.49Å; D84-V97 VanDerWaalsContact CB-CG1 3.49Å; D84-V97 HydrophobicContact CB-CG2 4.16Å; R87-V97 VanDerWaalsContact CD-CG1 3.48Å; K95-V97 PolarHBondContact O-N 3.34Å
98	L	94.8	Very high	88.8	Confident	50 Å²	50	74.7 Å²	74.7	26%	0.262	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.5	-179.9	-58.6	162.5	0	0	0	110.3	I82 F100 F129 P133	I82-L98 HydrophobicContact CB-CB 3.86Å; I82-L98 HydrophobicContact CB-CD1 4.35Å; I82-L98 HydrophobicContact CB-CG 4.49Å; I82-L98 HydrophobicContact CG1-CB 3.74Å; I82-L98 HydrophobicContact CG1-CD1 4.14Å; I82-L98 HydrophobicContact CG2-CD1 4.47Å; I82-L98 PolarHBondContact N-O 2.96Å; L98-F100 HydrophobicContact CB-CE2 4.4Å; L98-F129 HydrophobicContact CD1-CD2 4.41Å; L98-F129 HydrophobicContact CD1-CE2 3.82Å; L98-P133 HydrophobicContact CD1-CG 3.7Å; L98-P133 HydrophobicContact CD2-CG 4.06Å; L98-P133 HydrophobicContact CG-CG 4.47Å
99	E	94.8	Very high	89.8	Confident	111 Å²	111	65.8 Å²	65.8	52%	0.519	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.4	173	177.4	175.1	178.5	0	0	110	V80 L81 T101	V80-E99 CarbonylContact O-C 3.42Å; V80-E99 WeakPolarHBondContact O-CA 3.35Å; L81-E99 HydrophobicContact CD2-CB 3.9Å; L81-E99 HydrophobicContact CD2-CG 3.73Å; E99-T101 PolarHBondContact OE1-OG1 2.76Å
100	F	95.9	Very high	91.1	Very high	16 Å²	16	65.3 Å²	65.3	7%	0.07	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	110.6	170.5	-57	-96.7	0	0	0	109.2	A79 V80 I82 L98 F102 I116 I118 Y127 P133	A79-F100 CarbonylContact C-O 3.6Å; A79-F100 VanDerWaalsContact CA-O 3.29Å; A79-F100 WeakPolarHBondContact CA-O 3.35Å; V80-F100 HydrophobicContact CB-CB 4.24Å; V80-F100 HydrophobicContact CB-CD2 4.34Å; V80-F100 PolarHBondContact N-O 3.31Å; V80-F100 PolarHBondContact O-N 2.76Å; I82-F100 HydrophobicContact CD1-CE2 4.24Å; I82-F100 HydrophobicContact CG1-CD2 4.44Å; I82-F100 HydrophobicContact CG1-CE2 3.92Å; L98-F100 HydrophobicContact CB-CE2 4.4Å; F100-F102 HydrophobicContact CB-CE2 3.66Å; F100-F102 HydrophobicContact CB-CZ 4.04Å; F100-F102 WeakPolarHBondContact O-CE2 3.31Å; F100-I116 HydrophobicContact CE1-CG2 4.34Å; F100-I116 HydrophobicContact CE2-CD1 4.23Å; F100-I116 HydrophobicContact CE2-CG2 4.33Å; F100-I116 HydrophobicContact CZ-CG2 3.84Å; F100-I118 HydrophobicContact CB-CD1 3.78Å; F100-I118 HydrophobicContact CD1-CD1 4.08Å; F100-I118 HydrophobicContact CD2-CD1 4.18Å; F100-I118 HydrophobicContact CG-CD1 3.77Å; F100-Y127 HydrophobicContact CD1-CD1 4.13Å; F100-Y127 HydrophobicContact CD1-CD2 4.18Å; F100-Y127 HydrophobicContact CD1-CE1 4.12Å; F100-Y127 HydrophobicContact CD1-CE2 4.18Å; F100-Y127 HydrophobicContact CD1-CG 4.18Å; F100-Y127 AromaticContact CE1-CD1 3.76Å; F100-Y127 HydrophobicContact CE1-CD1 3.76Å; F100-Y127 HydrophobicContact CE1-CD2 4.09Å; F100-Y127 HydrophobicContact CE1-CE1 4.22Å; F100-Y127 AromaticContact CE1-CG 3.71Å; F100-Y127 HydrophobicContact CE1-CG 3.71Å; F100-P133 HydrophobicContact CE1-CB 3.65Å; F100-P133 HydrophobicContact CE1-CG 4.28Å; F100-P133 HydrophobicContact CZ-CB 3.59Å; F100-P133 HydrophobicContact CZ-CG 3.73Å
101	T	95.1	Very high	92.4	Very high	91 Å²	91	55 Å²	55	56%	0.558	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.1	-178.1	-40.6	0	0	0	0	111.4	E99	E99-T101 PolarHBondContact OE1-OG1 2.76Å
102	F	95.1	Very high	93.1	Very high	22 Å²	22	51.9 Å²	51.9	10%	0.096	27%	0.266	C	S	.	.			trans	-125.1	164.6	179.1	-58.4	-88.9	0	0	0	111.7	S78 V80 F100 K104 V106 I118 L120 Y125 Y127	S78-F102 WeakPolarHBondContact CB-O 3.49Å; S78-F102 WeakPolarHBondContact O-CB 3.23Å; S78-F102 WeakPolarHBondContact O-CD2 3.42Å; S78-F102 PolarHBondContact O-N 3.22Å; V80-F102 HydrophobicContact CG2-CE2 4.36Å; F100-F102 HydrophobicContact CB-CE2 3.66Å; F100-F102 HydrophobicContact CB-CZ 4.04Å; F100-F102 WeakPolarHBondContact O-CE2 3.31Å; F102-K104 VanDerWaalsContact C-N 3.35Å; F102-V106 HydrophobicContact CD2-CG2 3.73Å; F102-V106 HydrophobicContact CE2-CG2 4.26Å; F102-V106 HydrophobicContact CG-CG2 4.48Å; F102-I118 HydrophobicContact CD2-CG2 4.25Å; F102-I118 HydrophobicContact CE1-CG2 4.43Å; F102-I118 HydrophobicContact CE2-CB 4.32Å; F102-I118 HydrophobicContact CE2-CD1 3.72Å; F102-I118 HydrophobicContact CE2-CG2 3.59Å; F102-I118 HydrophobicContact CZ-CB 4Å; F102-I118 HydrophobicContact CZ-CD1 3.56Å; F102-I118 HydrophobicContact CZ-CG1 4.36Å; F102-I118 HydrophobicContact CZ-CG2 3.7Å; F102-L120 HydrophobicContact CB-CD2 3.99Å; F102-L120 HydrophobicContact CD1-CD1 4.07Å; F102-L120 HydrophobicContact CD1-CD2 4.18Å; F102-L120 HydrophobicContact CE1-CD1 4.43Å; F102-L120 HydrophobicContact CG-CD1 4.19Å; F102-L120 HydrophobicContact CG-CD2 4.26Å; F102-Y125 AromaticContact CD1-CD2 3.98Å; F102-Y125 HydrophobicContact CD1-CD2 3.98Å; F102-Y125 AromaticContact CD1-CE2 3.9Å; F102-Y125 HydrophobicContact CD1-CE2 3.9Å; F102-Y125 AromaticContact CE1-CD2 3.53Å; F102-Y125 HydrophobicContact CE1-CD2 3.53Å; F102-Y125 AromaticContact CE1-CE2 3.91Å; F102-Y125 HydrophobicContact CE1-CE2 3.91Å; F102-Y125 AromaticContact CE1-CG 3.89Å; F102-Y125 HydrophobicContact CE1-CG 3.89Å; F102-Y125 HydrophobicContact CZ-CD2 4.47Å; F102-Y127 HydrophobicContact CE1-CE2 4.45Å; F102-Y127 HydrophobicContact CZ-CE2 4.13Å
103	T	93	Very high	93.9	Very high	131 Å²	131	55.4 Å²	55.4	80%	0.804	28%	0.28	S	S	*	.	S	Bend	trans	-88.2	-4.4	176.5	57.7	0	0	0	0	113.4
104	K	95.1	Very high	94.6	Very high	133 Å²	133	51.1 Å²	51.1	58%	0.578	26%	0.264	S	S	*	.	S	Bend	trans	-135.2	156.2	-179.8	-60.1	-66.2	177	-169.2	0	109.7	F102 V106 L120	F102-K104 VanDerWaalsContact C-N 3.35Å; K104-V106 PolarHBondContact O-N 3.29Å; K104-L120 HydrophobicContact CB-CD2 3.75Å; K104-L120 HydrophobicContact CB-CG 4.45Å
105	P	95.8	Very high	95.2	Very high	59 Å²	59	46.3 Å²	46.3	38%	0.383	24%	0.241	S	C	.	.			trans	-54.3	134.6	176.9	-28.5	36.6	0	0	0	113.1	I77 L107	I77-P105 HydrophobicContact CD1-CB 4.49Å; I77-P105 HydrophobicContact CG1-CB 4.23Å; I77-P105 HydrophobicContact CG2-CB 3.68Å; I77-P105 HydrophobicContact CG2-CG 3.8Å; I77-P105 WeakPolarHBondContact O-CA 3.48Å; P105-L107 HydrophobicContact CB-CD2 4.48Å
106	V	97.4	Very high	95.6	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123.4	167.8	177.6	0	0	0	0	107.9	V66 I77 V80 F102 K104 V109 I118 L120	V66-V106 HydrophobicContact CG1-CB 4.13Å; V66-V106 HydrophobicContact CG2-CB 4.48Å; V66-V106 HydrophobicContact CG2-CG1 4.08Å; I77-V106 PolarHBondContact O-N 2.82Å; V80-V106 HydrophobicContact CG2-CB 4.41Å; V80-V106 HydrophobicContact CG2-CG1 3.93Å; V80-V106 HydrophobicContact CG2-CG2 3.91Å; F102-V106 HydrophobicContact CD2-CG2 3.73Å; F102-V106 HydrophobicContact CE2-CG2 4.26Å; F102-V106 HydrophobicContact CG-CG2 4.48Å; K104-V106 PolarHBondContact O-N 3.29Å; V106-V109 HydrophobicContact CG1-CG2 3.94Å; V106-I118 HydrophobicContact CB-CG2 4.47Å; V106-I118 HydrophobicContact CG1-CG2 3.78Å; V106-I118 HydrophobicContact CG2-CG2 3.9Å; V106-L120 HydrophobicContact CG2-CD1 4.49Å
107	L	97.3	Very high	96	Very high	47 Å²	47	42.6 Å²	42.6	25%	0.246	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	-22.2	-178.1	-58.6	-179.9	0	0	0	112.4	P105 V119 K121 N144	P105-L107 HydrophobicContact CB-CD2 4.48Å; L107-V119 PolarHBondContact N-O 3.47Å; L107-K121 HydrophobicContact CD1-CB 3.98Å; L107-N144 VanDerWaalsContact CD1-O 3.22Å; L107-N144 WeakPolarHBondContact CD1-O 3.39Å
108	S	97.7	Very high	96.2	Very high	7 Å²	7	40.9 Å²	40.9	5%	0.049	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	150.7	177.1	-136.9	0	0	0	0	111.9	R110 V119 G147	S108-R110 PolarHBondContact OG-NH1 2.95Å; S108-V119 PolarHBondContact N-O 3.34Å; S108-V119 PolarHBondContact O-N 3.25Å; S108-G147 WeakPolarHBondContact CB-O 3.25Å; S108-G147 PolarHBondContact OG-O 2.83Å
109	V	98.3	Very high	96.4	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.5	169.9	-176	0	0	0	0	108.1	E55 A64 V66 V80 V106 M111 I116 V117	E55-V109 HydrophobicContact CB-CB 4.32Å; E55-V109 HydrophobicContact CB-CG1 4.42Å; A64-V109 HydrophobicContact CB-CG1 3.88Å; V66-V109 HydrophobicContact CG2-CG2 3.95Å; V80-V109 HydrophobicContact CG1-CG1 4.48Å; V80-V109 HydrophobicContact CG1-CG2 4.01Å; V80-V109 HydrophobicContact CG2-CG2 3.83Å; V106-V109 HydrophobicContact CG1-CG2 3.94Å; V109-M111 HydrophobicContact CG1-CG 4.23Å; V109-I116 HydrophobicContact CG1-CD1 3.88Å; V109-I116 HydrophobicContact CG1-CG1 3.88Å; V109-V117 CarbonylContact C-O 3.59Å; V109-V117 WeakPolarHBondContact CA-O 3.43Å
110	R	98.2	Very high	96.5	Very high	22 Å²	22	33.6 Å²	33.6	8%	0.083	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	142.8	166.3	-65.7	-68.3	-179.8	-71.4	-15.1	109.4	R13 S108 V117 C149 D150 L151	R13-R110 VanDerWaalsContact CZ-CZ 3.47Å; R13-R110 VanDerWaalsContact CZ-NH1 3.27Å; R13-R110 VanDerWaalsContact NH1-NE 3.18Å; S108-R110 PolarHBondContact OG-NH1 2.95Å; R110-V117 HydrophobicContact CB-CB 4.21Å; R110-V117 PolarHBondContact N-O 3.18Å; R110-V117 PolarHBondContact O-N 3.42Å; R110-C149 VanDerWaalsContact CG-SG 3.51Å; R110-C149 PolarHBondContact NE-O 2.95Å; R110-C149 PolarHBondContact NH2-O 3.2Å; R110-D150 IonicContact NE-OD1 2.72Å; R110-L151 HydrophobicContact CB-CB 3.93Å; R110-L151 HydrophobicContact CB-CD2 4.2Å; R110-L151 HydrophobicContact CG-CB 4.38Å
111	M	97	Very high	96.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.02	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.9	-179.8	-61.8	179.9	74.1	0	0	111.7	Q16 E55 L57 A64 V109 I116 F129	Q16-M111 PolarHBondContact NE2-O 2.87Å; E55-M111 HydrophobicContact CG-CB 4.3Å; E55-M111 HydrophobicContact CG-CG 3.9Å; E55-M111 HydrophobicContact CG-SD 4.14Å; L57-M111 HydrophobicContact CB-CB 4.47Å; L57-M111 HydrophobicContact CB-CE 3.89Å; L57-M111 HydrophobicContact CB-SD 4.3Å; L57-M111 HydrophobicContact CD1-CB 4Å; L57-M111 HydrophobicContact CD2-CE 4.33Å; A64-M111 HydrophobicContact CB-SD 3.59Å; A64-M111 VanDerWaalsContact CB-SD 3.59Å; V109-M111 HydrophobicContact CG1-CG 4.23Å; M111-I116 HydrophobicContact CG-CD1 4.23Å; M111-I116 HydrophobicContact CG-CG1 4.05Å; M111-F129 HydrophobicContact CE-CD1 3.9Å; M111-F129 HydrophobicContact CE-CE1 3.21Å; M111-F129 HydrophobicContact CE-CE2 4.08Å; M111-F129 HydrophobicContact CE-CZ 3.32Å
112	R	95	Very high	96.6	Very high	6 Å²	6	36 Å²	36	2%	0.023	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	171.7	161.6	60.4	-177.7	-77.2	135.8	2.8	108.1	D114 K115 L151 C152 S154 K157	R112-D114 WeakPolarHBondContact CD-OD1 3.24Å; R112-D114 WeakPolarHBondContact CG-OD1 3.36Å; R112-D114 IonicContact CZ-OD1 3.61Å; R112-D114 IonicContact NE-OD1 3.54Å; R112-D114 PolarHBondContact NE-OD1 3.25Å; R112-D114 IonicContact NH2-OD1 2.73Å; R112-D114 PolarHBondContact O-N 3.06Å; R112-K115 HydrophobicContact CG-CB 3.77Å; R112-K115 PolarHBondContact N-O 2.94Å; R112-K115 PolarHBondContact O-N 2.85Å; R112-K115 VanDerWaalsContact O-O 3.05Å; R112-L151 HydrophobicContact CB-CD2 4.03Å; R112-L151 HydrophobicContact CG-CD2 3.71Å; R112-L151 HydrophobicContact CG-CG 4.45Å; R112-C152 PolarHBondContact NH1-O 2.99Å; R112-S154 PolarHBondContact NH1-O 3.19Å; R112-S154 PolarHBondContact NH2-O 3.18Å; R112-K157 PolarHBondContact NH1-O 3.33Å
113	H	93	Very high	96.7	Very high	94 Å²	94	40 Å²	40	44%	0.435	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-31.9	-173.8	-72.1	-70.2	0	0	0	114.8	H58	H58-H113 AromaticContact CD2-CD2 3.72Å; H58-H113 AromaticContact CD2-CE1 3.56Å; H58-H113 AromaticContact CD2-NE2 3.25Å; H58-H113 PolarHBondContact CD2-NE2 2.92Å; H58-H113 AromaticContact CG-NE2 3.8Å; H58-H113 AromaticContact NE2-CD2 3.58Å; H58-H113 AromaticContact NE2-NE2 3.44Å; H58-H113 PolarHBondContact NE2-NE2 2.81Å
114	D	94.6	Very high	96.9	Very high	48 Å²	48	33.8 Å²	33.8	26%	0.257	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-1.9	-174.7	67.2	-38.1	0	0	0	114.6	R112 F129 Q158	R112-D114 WeakPolarHBondContact CD-OD1 3.24Å; R112-D114 WeakPolarHBondContact CG-OD1 3.36Å; R112-D114 IonicContact CZ-OD1 3.61Å; R112-D114 IonicContact NE-OD1 3.54Å; R112-D114 PolarHBondContact NE-OD1 3.25Å; R112-D114 IonicContact NH2-OD1 2.73Å; R112-D114 PolarHBondContact O-N 3.06Å; D114-F129 CarbonylContact C-O 3.47Å; D114-F129 VanDerWaalsContact C-O 3.23Å; D114-F129 WeakPolarHBondContact CA-O 3.17Å; D114-F129 PolarHBondContact O-N 2.84Å; D114-Q158 PolarHBondContact OD2-NE2 2.94Å; D114-Q158 VanDerWaalsContact OD2-NE2 3.12Å; D114-Q158 PolarHBondContact OD2-OE1 2.86Å
115	K	96.3	Very high	97.1	Very high	9 Å²	9	28.8 Å²	28.8	4%	0.039	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	145.7	-174.9	-62.3	179.2	174.3	54.8	0	113.2	R112 V126 Y127 L136 L175	R112-K115 HydrophobicContact CG-CB 3.77Å; R112-K115 PolarHBondContact N-O 2.94Å; R112-K115 PolarHBondContact O-N 2.85Å; R112-K115 VanDerWaalsContact O-O 3.05Å; K115-V126 HydrophobicContact CB-CG1 4.36Å; K115-V126 HydrophobicContact CD-CG1 4.06Å; K115-V126 HydrophobicContact CG-CG1 4.46Å; K115-Y127 VanDerWaalsContact CA-O 3.26Å; K115-Y127 WeakPolarHBondContact CA-O 3.3Å; K115-L136 HydrophobicContact CD-CD1 4.31Å; K115-L136 HydrophobicContact CG-CD1 4.22Å; K115-L175 HydrophobicContact CD-CB 4.01Å; K115-L175 HydrophobicContact CD-CD1 4.1Å; K115-L175 WeakPolarHBondContact CE-O 3.34Å
116	I	98.3	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.5	166.3	-174.2	168.1	0	0	0	109.5	A64 V80 I82 F100 V109 M111 I118 V126 Y127 F129	A64-I116 HydrophobicContact CB-CD1 4.43Å; V80-I116 HydrophobicContact CG1-CD1 4.38Å; I82-I116 HydrophobicContact CD1-CD1 3.74Å; F100-I116 HydrophobicContact CE1-CG2 4.34Å; F100-I116 HydrophobicContact CE2-CD1 4.23Å; F100-I116 HydrophobicContact CE2-CG2 4.33Å; F100-I116 HydrophobicContact CZ-CG2 3.84Å; V109-I116 HydrophobicContact CG1-CD1 3.88Å; V109-I116 HydrophobicContact CG1-CG1 3.88Å; M111-I116 HydrophobicContact CG-CD1 4.23Å; M111-I116 HydrophobicContact CG-CG1 4.05Å; I116-I118 HydrophobicContact CG1-CG1 4.21Å; I116-V126 WeakPolarHBondContact O-CA 3.2Å; I116-Y127 PolarHBondContact N-O 2.74Å; I116-Y127 VanDerWaalsContact N-O 3.09Å; I116-Y127 PolarHBondContact O-N 2.83Å; I116-F129 HydrophobicContact CB-CB 4.23Å; I116-F129 HydrophobicContact CB-CD2 4.03Å; I116-F129 HydrophobicContact CB-CG 4.16Å; I116-F129 HydrophobicContact CG2-CB 4.12Å; I116-F129 HydrophobicContact CG2-CD2 3.83Å; I116-F129 HydrophobicContact CG2-CG 4.24Å
117	V	98.6	Very high	97.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	125.8	179.8	-178.2	0	0	0	0	108.3	V109 R110 V119 I124 Y125 V126 L151 L160	V109-V117 CarbonylContact C-O 3.59Å; V109-V117 WeakPolarHBondContact CA-O 3.43Å; R110-V117 HydrophobicContact CB-CB 4.21Å; R110-V117 PolarHBondContact N-O 3.18Å; R110-V117 PolarHBondContact O-N 3.42Å; V117-V119 HydrophobicContact CG1-CG2 4.4Å; V117-I124 HydrophobicContact CG1-CG2 3.49Å; V117-I124 VanDerWaalsContact CG1-CG2 3.49Å; V117-Y125 CarbonylContact C-O 3.53Å; V117-Y125 WeakPolarHBondContact CA-O 3.46Å; V117-V126 HydrophobicContact CG1-CG2 4.39Å; V117-V126 HydrophobicContact CG2-CG1 4.28Å; V117-V126 HydrophobicContact CG2-CG2 4.15Å; V117-L151 HydrophobicContact CG2-CD1 4.31Å; V117-L151 HydrophobicContact CG2-CD2 3.81Å; V117-L160 HydrophobicContact CG1-CD1 4.1Å; V117-L160 HydrophobicContact CG1-CD2 4.42Å; V117-L160 HydrophobicContact CG2-CD1 4.41Å
118	I	98.6	Very high	97.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	122.1	-176.5	-58	170.1	0	0	0	108.4	V80 F100 F102 V106 I116 L120 I124 Y125 Y127	V80-I118 HydrophobicContact CB-CD1 4.3Å; V80-I118 HydrophobicContact CG2-CD1 3.9Å; V80-I118 HydrophobicContact CG2-CG1 4.12Å; V80-I118 HydrophobicContact CG2-CG2 3.93Å; F100-I118 HydrophobicContact CB-CD1 3.78Å; F100-I118 HydrophobicContact CD1-CD1 4.08Å; F100-I118 HydrophobicContact CD2-CD1 4.18Å; F100-I118 HydrophobicContact CG-CD1 3.77Å; F102-I118 HydrophobicContact CD2-CG2 4.25Å; F102-I118 HydrophobicContact CE1-CG2 4.43Å; F102-I118 HydrophobicContact CE2-CB 4.32Å; F102-I118 HydrophobicContact CE2-CD1 3.72Å; F102-I118 HydrophobicContact CE2-CG2 3.59Å; F102-I118 HydrophobicContact CZ-CB 4Å; F102-I118 HydrophobicContact CZ-CD1 3.56Å; F102-I118 HydrophobicContact CZ-CG1 4.36Å; F102-I118 HydrophobicContact CZ-CG2 3.7Å; V106-I118 HydrophobicContact CB-CG2 4.47Å; V106-I118 HydrophobicContact CG1-CG2 3.78Å; V106-I118 HydrophobicContact CG2-CG2 3.9Å; I116-I118 HydrophobicContact CG1-CG1 4.21Å; I118-L120 HydrophobicContact CG2-CD1 3.95Å; I118-I124 WeakPolarHBondContact O-CA 3.47Å; I118-Y125 PolarHBondContact N-O 2.75Å; I118-Y125 PolarHBondContact O-N 3.13Å; I118-Y127 HydrophobicContact CD1-CD2 4.3Å; I118-Y127 HydrophobicContact CD1-CE2 4.22Å
119	V	98.6	Very high	97	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122	-172.8	-173.8	0	0	0	0	110.4	L107 S108 V117 I124 C149	L107-V119 PolarHBondContact N-O 3.47Å; S108-V119 PolarHBondContact N-O 3.34Å; S108-V119 PolarHBondContact O-N 3.25Å; V117-V119 HydrophobicContact CG1-CG2 4.4Å; V119-I124 HydrophobicContact CB-CG1 4.44Å; V119-I124 HydrophobicContact CG1-CG1 4.01Å; V119-I124 HydrophobicContact CG2-CD1 4.5Å; V119-I124 HydrophobicContact CG2-CG1 4.15Å; V119-I124 HydrophobicContact CG2-CG2 4.44Å; V119-C149 HydrophobicContact CG2-CB 4.03Å; V119-C149 WeakPolarHBondContact CG2-SG 3.38Å
120	L	97.8	Very high	96.8	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.042	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	175.8	169.3	-74.1	65.2	0	0	0	108.5	F102 K104 V106 I118 N122 R123 Y125	F102-L120 HydrophobicContact CB-CD2 3.99Å; F102-L120 HydrophobicContact CD1-CD1 4.07Å; F102-L120 HydrophobicContact CD1-CD2 4.18Å; F102-L120 HydrophobicContact CE1-CD1 4.43Å; F102-L120 HydrophobicContact CG-CD1 4.19Å; F102-L120 HydrophobicContact CG-CD2 4.26Å; K104-L120 HydrophobicContact CB-CD2 3.75Å; K104-L120 HydrophobicContact CB-CG 4.45Å; V106-L120 HydrophobicContact CG2-CD1 4.49Å; I118-L120 HydrophobicContact CG2-CD1 3.95Å; L120-N122 VanDerWaalsContact C-N 3.26Å; L120-N122 PolarHBondContact O-N 2.79Å; L120-R123 WeakPolarHBondContact CA-O 3.1Å; L120-R123 PolarHBondContact N-O 2.79Å; L120-Y125 HydrophobicContact CD1-CD2 3.92Å; L120-Y125 HydrophobicContact CD1-CE2 3.95Å; L120-Y125 HydrophobicContact CD2-CE2 3.98Å; L120-Y125 HydrophobicContact CG-CE2 4.49Å
121	K	96.4	Very high	96.4	Very high	92 Å²	92	34.2 Å²	34.2	40%	0.4	17%	0.166	S	C	.	.	S	Bend	trans	-55.2	-37.7	-177.7	-170.9	-177.6	171.9	-166.8	0	114.1	L107 D143 N144	L107-K121 HydrophobicContact CD1-CB 3.98Å; K121-D143 VanDerWaalsContact CE-CG 3.47Å; K121-D143 WeakPolarHBondContact CE-OD2 3.41Å; K121-D143 IonicContact NZ-OD2 3.8Å; K121-D143 PolarHBondContact NZ-OD2 3.11Å; K121-N144 WeakPolarHBondContact O-CA 3.47Å; K121-N144 WeakPolarHBondContact O-CB 3.39Å; K121-N144 PolarHBondContact O-N 3.09Å
122	N	95.9	Very high	96.1	Very high	66 Å²	66	41.2 Å²	41.2	35%	0.353	20%	0.203	S	C	.	.	S	Bend	trans	-130.6	7.7	-173.7	-63.8	98.4	0	0	0	113.3	L120 T141 D143	L120-N122 VanDerWaalsContact C-N 3.26Å; L120-N122 PolarHBondContact O-N 2.79Å; N122-T141 VanDerWaalsContact CA-OG1 3.31Å; N122-T141 WeakPolarHBondContact CA-OG1 3.34Å; N122-T141 PolarHBondContact O-N 2.59Å; N122-T141 PolarHBondContact O-OG1 3.45Å; N122-D143 WeakPolarHBondContact ND2-CA 3.27Å; N122-D143 PolarHBondContact ND2-N 3Å; N122-D143 PolarHBondContact ND2-OD1 2.79Å
123	R	97.2	Very high	96.2	Very high	106 Å²	106	42.4 Å²	42.4	40%	0.4	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	145.3	-175.1	-72.3	-168.1	170.5	-174.1	5.5	111.4	L120 Y125 E138 F139 D140	L120-R123 WeakPolarHBondContact CA-O 3.1Å; L120-R123 PolarHBondContact N-O 2.79Å; R123-Y125 HydrophobicContact CB-CE2 3.93Å; R123-Y125 WeakPolarHBondContact CD-OH 3.48Å; R123-E138 IonicContact CZ-OE1 3.54Å; R123-E138 IonicContact NE-OE1 2.68Å; R123-E138 IonicContact NH1-OE1 3.78Å; R123-E138 PolarHBondContact NH1-OE1 2.63Å; R123-F139 CarbonylContact C-O 3.23Å; R123-F139 VanDerWaalsContact CA-O 3.31Å; R123-F139 WeakPolarHBondContact CA-O 3.24Å; R123-D140 IonicContact CZ-OD1 2.76Å; R123-D140 IonicContact NE-OD1 3.61Å; R123-D140 PolarHBondContact NE-OD1 3.2Å; R123-D140 IonicContact NH2-OD1 3.41Å
124	I	98.3	Very high	96.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.3	171.8	-61.9	174.4	0	0	0	108.2	V117 I118 V119 E138 F139 T141 L160 F162	V117-I124 HydrophobicContact CG1-CG2 3.49Å; V117-I124 VanDerWaalsContact CG1-CG2 3.49Å; I118-I124 WeakPolarHBondContact O-CA 3.47Å; V119-I124 HydrophobicContact CB-CG1 4.44Å; V119-I124 HydrophobicContact CG1-CG1 4.01Å; V119-I124 HydrophobicContact CG2-CD1 4.5Å; V119-I124 HydrophobicContact CG2-CG1 4.15Å; V119-I124 HydrophobicContact CG2-CG2 4.44Å; I124-E138 WeakPolarHBondContact O-CA 3.16Å; I124-F139 HydrophobicContact CB-CB 4.4Å; I124-F139 HydrophobicContact CB-CD2 4.38Å; I124-F139 HydrophobicContact CG2-CD2 4.36Å; I124-F139 PolarHBondContact N-O 2.92Å; I124-F139 PolarHBondContact O-N 2.9Å; I124-T141 HydrophobicContact CD1-CG2 3.68Å; I124-T141 HydrophobicContact CG1-CG2 3.77Å; I124-L160 HydrophobicContact CG2-CD2 4.31Å; I124-F162 HydrophobicContact CD1-CB 3.54Å; I124-F162 HydrophobicContact CD1-CD1 3.79Å; I124-F162 HydrophobicContact CD1-CD2 3.78Å; I124-F162 HydrophobicContact CD1-CE1 4.41Å; I124-F162 HydrophobicContact CD1-CE2 4.4Å; I124-F162 HydrophobicContact CD1-CG 3.44Å; I124-F162 VanDerWaalsContact CD1-CG 3.44Å
125	Y	98.3	Very high	96.4	Very high	28 Å²	28	48.6 Å²	48.6	11%	0.11	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138.6	174.4	-59.1	-88.2	0	0	0	109.8	F102 V117 I118 L120 R123 Y127 K135 E138	F102-Y125 AromaticContact CD1-CD2 3.98Å; F102-Y125 HydrophobicContact CD1-CD2 3.98Å; F102-Y125 AromaticContact CD1-CE2 3.9Å; F102-Y125 HydrophobicContact CD1-CE2 3.9Å; F102-Y125 AromaticContact CE1-CD2 3.53Å; F102-Y125 HydrophobicContact CE1-CD2 3.53Å; F102-Y125 AromaticContact CE1-CE2 3.91Å; F102-Y125 HydrophobicContact CE1-CE2 3.91Å; F102-Y125 AromaticContact CE1-CG 3.89Å; F102-Y125 HydrophobicContact CE1-CG 3.89Å; F102-Y125 HydrophobicContact CZ-CD2 4.47Å; V117-Y125 CarbonylContact C-O 3.53Å; V117-Y125 WeakPolarHBondContact CA-O 3.46Å; I118-Y125 PolarHBondContact N-O 2.75Å; I118-Y125 PolarHBondContact O-N 3.13Å; L120-Y125 HydrophobicContact CD1-CD2 3.92Å; L120-Y125 HydrophobicContact CD1-CE2 3.95Å; L120-Y125 HydrophobicContact CD2-CE2 3.98Å; L120-Y125 HydrophobicContact CG-CE2 4.49Å; R123-Y125 HydrophobicContact CB-CE2 3.93Å; R123-Y125 WeakPolarHBondContact CD-OH 3.48Å; Y125-Y127 HydrophobicContact CG-CE2 4.41Å; Y125-K135 HydrophobicContact CD1-CD 3.87Å; Y125-K135 HydrophobicContact CE1-CD 4.48Å; Y125-E138 HydrophobicContact CD1-CB 4.36Å; Y125-E138 HydrophobicContact CD1-CG 3.96Å; Y125-E138 HydrophobicContact CE1-CG 3.76Å; Y125-E138 WeakPolarHBondContact CE1-OE1 3.36Å
126	V	97.9	Very high	96.3	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.8	174.9	-175	0	0	0	0	108.4	K115 I116 V117 L136 F137 F139 L160 L175	K115-V126 HydrophobicContact CB-CG1 4.36Å; K115-V126 HydrophobicContact CD-CG1 4.06Å; K115-V126 HydrophobicContact CG-CG1 4.46Å; I116-V126 WeakPolarHBondContact O-CA 3.2Å; V117-V126 HydrophobicContact CG1-CG2 4.39Å; V117-V126 HydrophobicContact CG2-CG1 4.28Å; V117-V126 HydrophobicContact CG2-CG2 4.15Å; V126-L136 PolarHBondContact O-N 2.88Å; V126-F137 HydrophobicContact CB-CB 4.01Å; V126-F137 HydrophobicContact CB-CD2 4.03Å; V126-F137 HydrophobicContact CG1-CD2 4.05Å; V126-F137 HydrophobicContact CG2-CB 4.15Å; V126-F137 PolarHBondContact N-O 3.44Å; V126-F137 PolarHBondContact O-N 2.75Å; V126-F137 VanDerWaalsContact O-N 3.17Å; V126-F139 HydrophobicContact CG2-CD2 4.42Å; V126-F139 HydrophobicContact CG2-CE2 3.86Å; V126-L160 HydrophobicContact CG2-CD2 4.18Å; V126-L175 HydrophobicContact CG1-CD1 4.09Å; V126-L175 HydrophobicContact CG2-CD1 4.44Å; V126-L175 HydrophobicContact CG2-CD2 4.37Å
127	Y	97.9	Very high	96.2	Very high	38 Å²	38	52 Å²	52	15%	0.149	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	153.2	176.5	-62.3	-104.5	0	0	0	110.6	F100 F102 K115 I116 I118 Y125 R134 K135	F100-Y127 HydrophobicContact CD1-CD1 4.13Å; F100-Y127 HydrophobicContact CD1-CD2 4.18Å; F100-Y127 HydrophobicContact CD1-CE1 4.12Å; F100-Y127 HydrophobicContact CD1-CE2 4.18Å; F100-Y127 HydrophobicContact CD1-CG 4.18Å; F100-Y127 AromaticContact CE1-CD1 3.76Å; F100-Y127 HydrophobicContact CE1-CD1 3.76Å; F100-Y127 HydrophobicContact CE1-CD2 4.09Å; F100-Y127 HydrophobicContact CE1-CE1 4.22Å; F100-Y127 AromaticContact CE1-CG 3.71Å; F100-Y127 HydrophobicContact CE1-CG 3.71Å; F102-Y127 HydrophobicContact CE1-CE2 4.45Å; F102-Y127 HydrophobicContact CZ-CE2 4.13Å; K115-Y127 VanDerWaalsContact CA-O 3.26Å; K115-Y127 WeakPolarHBondContact CA-O 3.3Å; I116-Y127 PolarHBondContact N-O 2.74Å; I116-Y127 VanDerWaalsContact N-O 3.09Å; I116-Y127 PolarHBondContact O-N 2.83Å; I118-Y127 HydrophobicContact CD1-CD2 4.3Å; I118-Y127 HydrophobicContact CD1-CE2 4.22Å; Y125-Y127 HydrophobicContact CG-CE2 4.41Å; Y127-R134 CarbonylContact C-O 3.53Å; Y127-R134 WeakPolarHBondContact CA-O 3.35Å; Y127-K135 HydrophobicContact CD1-CB 3.97Å; Y127-K135 HydrophobicContact CE1-CB 3.72Å; Y127-K135 HydrophobicContact CE1-CG 4.34Å
128	S	96.4	Very high	96.1	Very high	23 Å²	23	55.5 Å²	55.5	16%	0.161	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	151.3	160.7	62.1	0	0	0	0	109.6	P133 R134	S128-P133 VanDerWaalsContact O-CA 3.27Å; S128-P133 WeakPolarHBondContact O-CA 3.42Å; S128-P133 VanDerWaalsContact O-CB 3.24Å; S128-P133 WeakPolarHBondContact O-CB 2.82Å; S128-R134 PolarHBondContact N-O 2.97Å; S128-R134 VanDerWaalsContact OG-CG 3.29Å; S128-R134 WeakPolarHBondContact OG-CG 3.36Å; S128-R134 PolarHBondContact OG-N 3.17Å
129	F	95.4	Very high	95.9	Very high	11 Å²	11	56.6 Å²	56.6	5%	0.048	27%	0.268	C	S	.	.			trans	-154.6	153.3	-176.6	-168.6	-95.9	0	0	0	109.3	L57 L62 I82 L98 M111 D114 I116	L57-F129 HydrophobicContact CD2-CD1 4.38Å; L57-F129 HydrophobicContact CD2-CE1 3.92Å; L62-F129 HydrophobicContact CD1-CE1 3.73Å; L62-F129 HydrophobicContact CD1-CZ 3.91Å; I82-F129 HydrophobicContact CD1-CE2 3.98Å; I82-F129 HydrophobicContact CD1-CZ 4.31Å; I82-F129 HydrophobicContact CG1-CE2 3.97Å; I82-F129 HydrophobicContact CG1-CZ 4.45Å; I82-F129 HydrophobicContact CG2-CE2 4.19Å; I82-F129 HydrophobicContact CG2-CZ 3.91Å; L98-F129 HydrophobicContact CD1-CD2 4.41Å; L98-F129 HydrophobicContact CD1-CE2 3.82Å; M111-F129 HydrophobicContact CE-CD1 3.9Å; M111-F129 HydrophobicContact CE-CE1 3.21Å; M111-F129 HydrophobicContact CE-CE2 4.08Å; M111-F129 HydrophobicContact CE-CZ 3.32Å; D114-F129 CarbonylContact C-O 3.47Å; D114-F129 VanDerWaalsContact C-O 3.23Å; D114-F129 WeakPolarHBondContact CA-O 3.17Å; D114-F129 PolarHBondContact O-N 2.84Å; I116-F129 HydrophobicContact CB-CB 4.23Å; I116-F129 HydrophobicContact CB-CD2 4.03Å; I116-F129 HydrophobicContact CB-CG 4.16Å; I116-F129 HydrophobicContact CG2-CB 4.12Å; I116-F129 HydrophobicContact CG2-CD2 3.83Å; I116-F129 HydrophobicContact CG2-CG 4.24Å
130	P	92.9	Very high	95.7	Very high	43 Å²	43	60.9 Å²	60.9	28%	0.279	29%	0.291	S	S	.	.	S	Bend	cis	-83.9	-28.4	-8.1	32	-32.9	0	0	0	114	L62 N132 P133	L62-P130 HydrophobicContact CD1-CB 4.01Å; P130-N132 PolarHBondContact O-N 3.14Å; P130-P133 WeakPolarHBondContact O-CD 3.32Å
131	D	90.6	Very high	95.5	Very high	143 Å²	143	61 Å²	61	77%	0.765	29%	0.292	S	S	*	.	S	Bend	trans	-80	123.8	-168.3	-58.5	-49.7	0	0	0	112.3
132	N	91	Very high	95.3	Very high	151 Å²	151	61.3 Å²	61.3	81%	0.807	29%	0.291	S	S	*	.	S	Bend	trans	43	68.4	-179.4	-169	27.5	0	0	0	113.6	P130 R134	P130-N132 PolarHBondContact O-N 3.14Å; N132-R134 PolarHBondContact O-N 2.78Å
133	P	95.7	Very high	95.2	Very high	30 Å²	30	62.6 Å²	62.6	20%	0.195	30%	0.298	C	S	.	.			trans	-55.6	124.7	-175	-26.8	35.6	0	0	0	113.5	L98 F100 S128 P130	L98-P133 HydrophobicContact CD1-CG 3.7Å; L98-P133 HydrophobicContact CD2-CG 4.06Å; L98-P133 HydrophobicContact CG-CG 4.47Å; F100-P133 HydrophobicContact CE1-CB 3.65Å; F100-P133 HydrophobicContact CE1-CG 4.28Å; F100-P133 HydrophobicContact CZ-CB 3.59Å; F100-P133 HydrophobicContact CZ-CG 3.73Å; S128-P133 VanDerWaalsContact O-CA 3.27Å; S128-P133 WeakPolarHBondContact O-CA 3.42Å; S128-P133 VanDerWaalsContact O-CB 3.24Å; S128-P133 WeakPolarHBondContact O-CB 2.82Å; P130-P133 WeakPolarHBondContact O-CD 3.32Å
134	R	95.6	Very high	95.2	Very high	164 Å²	164	57.7 Å²	57.7	62%	0.619	28%	0.279	S	S	*	.			trans	-118.9	143.7	170.8	59.8	174.2	-176.1	-175.1	1.8	110.4	Y127 S128 N132 L136	Y127-R134 CarbonylContact C-O 3.53Å; Y127-R134 WeakPolarHBondContact CA-O 3.35Å; S128-R134 PolarHBondContact N-O 2.97Å; S128-R134 VanDerWaalsContact OG-CG 3.29Å; S128-R134 WeakPolarHBondContact OG-CG 3.36Å; S128-R134 PolarHBondContact OG-N 3.17Å; N132-R134 PolarHBondContact O-N 2.78Å; R134-L136 HydrophobicContact CG-CD2 4.13Å; R134-L136 PolarHBondContact O-N 2.97Å
135	K	96.3	Very high	95.1	Very high	109 Å²	109	61.9 Å²	61.9	47%	0.474	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	121.6	174.8	-172.4	171.4	64	170.7	0	109.3	Y125 Y127 E138	Y125-K135 HydrophobicContact CD1-CD 3.87Å; Y125-K135 HydrophobicContact CE1-CD 4.48Å; Y127-K135 HydrophobicContact CD1-CB 3.97Å; Y127-K135 HydrophobicContact CE1-CB 3.72Å; Y127-K135 HydrophobicContact CE1-CG 4.34Å; K135-E138 IonicContact NZ-OE2 3.45Å; K135-E138 PolarHBondContact NZ-OE2 3.02Å
136	L	95.1	Very high	94.9	Very high	38 Å²	38	66.2 Å²	66.2	20%	0.199	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-45.8	178.3	-59.7	177	0	0	0	111.1	K115 V126 R134 T178	K115-L136 HydrophobicContact CD-CD1 4.31Å; K115-L136 HydrophobicContact CG-CD1 4.22Å; V126-L136 PolarHBondContact O-N 2.88Å; R134-L136 HydrophobicContact CG-CD2 4.13Å; R134-L136 PolarHBondContact O-N 2.97Å; L136-T178 HydrophobicContact CD1-CG2 4.05Å; L136-T178 HydrophobicContact CD2-CG2 4.39Å
137	F	95.3	Very high	94.8	Very high	43 Å²	43	66.2 Å²	66.2	19%	0.189	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	154.6	-176.7	-51.7	-83.2	0	0	0	111.5	V126 F139 L175 S177 T178	V126-F137 HydrophobicContact CB-CB 4.01Å; V126-F137 HydrophobicContact CB-CD2 4.03Å; V126-F137 HydrophobicContact CG1-CD2 4.05Å; V126-F137 HydrophobicContact CG2-CB 4.15Å; V126-F137 PolarHBondContact N-O 3.44Å; V126-F137 PolarHBondContact O-N 2.75Å; V126-F137 VanDerWaalsContact O-N 3.17Å; F137-F139 HydrophobicContact CB-CE1 4.42Å; F137-F139 HydrophobicContact CB-CE2 3.65Å; F137-F139 HydrophobicContact CB-CZ 3.59Å; F137-F139 HydrophobicContact CD1-CZ 4.3Å; F137-F139 HydrophobicContact CG-CE2 4.41Å; F137-F139 HydrophobicContact CG-CZ 4.02Å; F137-L175 HydrophobicContact CD2-CD2 3.72Å; F137-L175 HydrophobicContact CE2-CB 4.06Å; F137-L175 HydrophobicContact CE2-CD2 3.91Å; F137-L175 HydrophobicContact CG-CD2 4.24Å; F137-S177 WeakPolarHBondContact CZ-O 3.25Å; F137-T178 HydrophobicContact CE2-CG2 3.92Å; F137-T178 HydrophobicContact CZ-CG2 3.96Å
138	E	95.9	Very high	94.8	Very high	73 Å²	73	65.8 Å²	65.8	34%	0.341	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.2	171.6	-177.8	170	174.2	0	0	107.7	R123 I124 Y125 K135	R123-E138 IonicContact CZ-OE1 3.54Å; R123-E138 IonicContact NE-OE1 2.68Å; R123-E138 IonicContact NH1-OE1 3.78Å; R123-E138 PolarHBondContact NH1-OE1 2.63Å; I124-E138 WeakPolarHBondContact O-CA 3.16Å; Y125-E138 HydrophobicContact CD1-CB 4.36Å; Y125-E138 HydrophobicContact CD1-CG 3.96Å; Y125-E138 HydrophobicContact CE1-CG 3.76Å; Y125-E138 WeakPolarHBondContact CE1-OE1 3.36Å; K135-E138 IonicContact NZ-OE2 3.45Å; K135-E138 PolarHBondContact NZ-OE2 3.02Å
139	F	95.5	Very high	94.9	Very high	23 Å²	23	64.7 Å²	64.7	10%	0.101	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.3	179.3	-53.3	-73.6	0	0	0	109.5	R123 I124 V126 F137 L160 F162 V173 L175	R123-F139 CarbonylContact C-O 3.23Å; R123-F139 VanDerWaalsContact CA-O 3.31Å; R123-F139 WeakPolarHBondContact CA-O 3.24Å; I124-F139 HydrophobicContact CB-CB 4.4Å; I124-F139 HydrophobicContact CB-CD2 4.38Å; I124-F139 HydrophobicContact CG2-CD2 4.36Å; I124-F139 PolarHBondContact N-O 2.92Å; I124-F139 PolarHBondContact O-N 2.9Å; V126-F139 HydrophobicContact CG2-CD2 4.42Å; V126-F139 HydrophobicContact CG2-CE2 3.86Å; F137-F139 HydrophobicContact CB-CE1 4.42Å; F137-F139 HydrophobicContact CB-CE2 3.65Å; F137-F139 HydrophobicContact CB-CZ 3.59Å; F137-F139 HydrophobicContact CD1-CZ 4.3Å; F137-F139 HydrophobicContact CG-CE2 4.41Å; F137-F139 HydrophobicContact CG-CZ 4.02Å; F139-L160 HydrophobicContact CD2-CD2 4.24Å; F139-L160 HydrophobicContact CE2-CD2 3.93Å; F139-F162 HydrophobicContact CB-CE2 4.44Å; F139-F162 HydrophobicContact CB-CZ 3.94Å; F139-F162 HydrophobicContact CD1-CZ 4.41Å; F139-F162 HydrophobicContact CD2-CE1 4.36Å; F139-F162 HydrophobicContact CD2-CZ 4.47Å; F139-F162 HydrophobicContact CG-CE1 4.35Å; F139-F162 HydrophobicContact CG-CZ 4.03Å; F139-V173 HydrophobicContact CE1-CB 4.44Å; F139-V173 HydrophobicContact CE1-CG1 3.92Å; F139-V173 HydrophobicContact CE1-CG2 4.01Å; F139-V173 HydrophobicContact CZ-CB 4.19Å; F139-V173 HydrophobicContact CZ-CG1 3.72Å; F139-V173 HydrophobicContact CZ-CG2 4.16Å; F139-L175 HydrophobicContact CE2-CD2 4.1Å; F139-L175 HydrophobicContact CZ-CD2 4Å
140	D	94.3	Very high	95.1	Very high	90 Å²	90	65.6 Å²	65.6	48%	0.481	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	139.5	165	-69	-50	0	0	0	109.2	R123 H165	R123-D140 IonicContact CZ-OD1 2.76Å; R123-D140 IonicContact NE-OD1 3.61Å; R123-D140 PolarHBondContact NE-OD1 3.2Å; R123-D140 IonicContact NH2-OD1 3.41Å; D140-H165 PolarHBondContact O-CE1 3.45Å
141	T	93.4	Very high	95.3	Very high	11 Å²	11	64.1 Å²	64.1	7%	0.067	31%	0.313	C	S	.	.			trans	-121.6	161.3	175.7	71.3	0	0	0	0	110.2	N122 I124 F162	N122-T141 VanDerWaalsContact CA-OG1 3.31Å; N122-T141 WeakPolarHBondContact CA-OG1 3.34Å; N122-T141 PolarHBondContact O-N 2.59Å; N122-T141 PolarHBondContact O-OG1 3.45Å; I124-T141 HydrophobicContact CD1-CG2 3.68Å; I124-T141 HydrophobicContact CG1-CG2 3.77Å; T141-F162 HydrophobicContact CG2-CD2 3.75Å; T141-F162 HydrophobicContact CG2-CE2 3.92Å
142	R	91.8	Very high	95.6	Very high	97 Å²	97	57.3 Å²	57.3	37%	0.366	28%	0.277	S	S	.	.	S	Bend	trans	-59.5	167.5	156	178.2	177	-75.8	-144.2	-7	109.7	N144 H165 C167 D195	R142-N144 PolarHBondContact O-N 2.97Å; R142-H165 PolarHBondContact NE-O 3Å; R142-H165 PolarHBondContact NH2-O 3.11Å; R142-C167 VanDerWaalsContact CZ-N 3.3Å; R142-C167 VanDerWaalsContact NH1-CB 3.26Å; R142-D195 IonicContact NH1-OD1 3.18Å
143	D	94.6	Very high	95.6	Very high	93 Å²	93	51 Å²	51	50%	0.497	24%	0.244	S	C	.	.			trans	-41.7	110	164.6	-89.4	31	0	0	0	111.4	K121 N122 P145	K121-D143 VanDerWaalsContact CE-CG 3.47Å; K121-D143 WeakPolarHBondContact CE-OD2 3.41Å; K121-D143 IonicContact NZ-OD2 3.8Å; K121-D143 PolarHBondContact NZ-OD2 3.11Å; N122-D143 WeakPolarHBondContact ND2-CA 3.27Å; N122-D143 PolarHBondContact ND2-N 3Å; N122-D143 PolarHBondContact ND2-OD1 2.79Å; D143-P145 WeakPolarHBondContact O-CD 3.37Å
144	N	96.8	Very high	95.4	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	24%	0.242	C	C	.	.			trans	-120.4	64.3	179.3	-172.2	11.7	0	0	0	109.3	L107 K121 R142 K146 G147 L148	L107-N144 VanDerWaalsContact CD1-O 3.22Å; L107-N144 WeakPolarHBondContact CD1-O 3.39Å; K121-N144 WeakPolarHBondContact O-CA 3.47Å; K121-N144 WeakPolarHBondContact O-CB 3.39Å; K121-N144 PolarHBondContact O-N 3.09Å; R142-N144 PolarHBondContact O-N 2.97Å; N144-K146 PolarHBondContact O-N 2.97Å; N144-K146 VanDerWaalsContact O-N 3.09Å; N144-G147 PolarHBondContact O-N 2.92Å; N144-G147 PolarHBondContact OD1-N 2.92Å; N144-L148 VanDerWaalsContact CG-N 3.35Å; N144-L148 PolarHBondContact ND2-N 3.49Å; N144-L148 VanDerWaalsContact ND2-N 3.19Å; N144-L148 PolarHBondContact ND2-O 3.45Å; N144-L148 WeakPolarHBondContact OD1-CB 3.27Å; N144-L148 PolarHBondContact OD1-N 3.41Å
145	P	95.4	Very high	95.1	Very high	88 Å²	88	49 Å²	49	57%	0.571	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.9	-171.1	28.4	-37	0	0	0	113.9	D143	D143-P145 WeakPolarHBondContact O-CD 3.37Å
146	K	94.6	Very high	94.9	Very high	120 Å²	120	52.9 Å²	52.9	52%	0.522	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	4.4	175.9	-63.2	-172.8	178.3	-171	0	113.4	N144 L148	N144-K146 PolarHBondContact O-N 2.97Å; N144-K146 VanDerWaalsContact O-N 3.09Å; K146-L148 HydrophobicContact CB-CD2 3.93Å; K146-L148 HydrophobicContact CB-CG 3.98Å; K146-L148 PolarHBondContact O-N 2.77Å
147	G	97.1	Very high	94.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.			trans	59.1	32.9	-177.9	0	0	0	0	0	114	S108 N144 C149	S108-G147 WeakPolarHBondContact CB-O 3.25Å; S108-G147 PolarHBondContact OG-O 2.83Å; N144-G147 PolarHBondContact O-N 2.92Å; N144-G147 PolarHBondContact OD1-N 2.92Å; G147-C149 PolarHBondContact O-N 2.77Å
148	L	97.9	Very high	94.7	Very high	28 Å²	28	53.1 Å²	53.1	15%	0.147	27%	0.265	C	S	.	.			trans	-62.6	119.4	-176.7	-59.2	-178.9	0	0	0	110.7	N144 K146 P163 I196	N144-L148 VanDerWaalsContact CG-N 3.35Å; N144-L148 PolarHBondContact ND2-N 3.49Å; N144-L148 VanDerWaalsContact ND2-N 3.19Å; N144-L148 PolarHBondContact ND2-O 3.45Å; N144-L148 WeakPolarHBondContact OD1-CB 3.27Å; N144-L148 PolarHBondContact OD1-N 3.41Å; K146-L148 HydrophobicContact CB-CD2 3.93Å; K146-L148 HydrophobicContact CB-CG 3.98Å; K146-L148 PolarHBondContact O-N 2.77Å; L148-P163 HydrophobicContact CB-CG 3.82Å; L148-P163 HydrophobicContact CD1-CG 4.16Å; L148-P163 WeakPolarHBondContact O-CD 3.28Å; L148-I196 HydrophobicContact CD1-CG2 4.15Å; L148-I196 VanDerWaalsContact CD1-O 3.25Å; L148-I196 WeakPolarHBondContact CD1-O 3.17Å
149	C	98	Very high	94.7	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	25%	0.25	C	C	.	.			trans	-157.3	162.5	162.2	71.5	0	0	0	0	108.6	R110 V119 G147 L160 V161 F162	R110-C149 VanDerWaalsContact CG-SG 3.51Å; R110-C149 PolarHBondContact NE-O 2.95Å; R110-C149 PolarHBondContact NH2-O 3.2Å; V119-C149 HydrophobicContact CG2-CB 4.03Å; V119-C149 WeakPolarHBondContact CG2-SG 3.38Å; G147-C149 PolarHBondContact O-N 2.77Å; C149-L160 HydrophobicContact CB-CD1 4.26Å; C149-V161 CarbonylContact C-O 3.59Å; C149-V161 WeakPolarHBondContact CA-O 3.33Å; C149-V161 WeakPolarHBondContact CB-O 3.06Å; C149-F162 HydrophobicContact CB-CB 4.16Å
150	D	98.3	Very high	94.9	Very high	30 Å²	30	48.7 Å²	48.7	16%	0.16	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.3	164.3	-159.4	23.5	0	0	0	111.3	R110 V161 S200 L201	R110-D150 IonicContact NE-OD1 2.72Å; D150-V161 HydrophobicContact CB-CG1 3.85Å; D150-V161 PolarHBondContact N-O 2.87Å; D150-V161 PolarHBondContact O-N 2.93Å; D150-S200 VanDerWaalsContact OD2-CA 3.27Å; D150-S200 WeakPolarHBondContact OD2-CA 3.39Å; D150-L201 PolarHBondContact OD2-N 3.44Å
151	L	97.6	Very high	95.1	Very high	11 Å²	11	44.4 Å²	44.4	6%	0.058	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	124	-174	-179	63.3	0	0	0	108.9	R110 R112 V117 P153 L160 L175	R110-L151 HydrophobicContact CB-CB 3.93Å; R110-L151 HydrophobicContact CB-CD2 4.2Å; R110-L151 HydrophobicContact CG-CB 4.38Å; R112-L151 HydrophobicContact CB-CD2 4.03Å; R112-L151 HydrophobicContact CG-CD2 3.71Å; R112-L151 HydrophobicContact CG-CG 4.45Å; V117-L151 HydrophobicContact CG2-CD1 4.31Å; V117-L151 HydrophobicContact CG2-CD2 3.81Å; L151-P153 WeakPolarHBondContact O-CD 3.43Å; L151-L160 HydrophobicContact CD1-CB 4.22Å; L151-L160 HydrophobicContact CD1-CD1 4.37Å; L151-L175 HydrophobicContact CD1-CD1 3.9Å
152	C	96.8	Very high	95.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.			trans	-60.8	123.9	179.7	-174.6	0	0	0	0	110.3	R112 S154 L159 L201 Q203 G205	R112-C152 PolarHBondContact NH1-O 2.99Å; C152-S154 VanDerWaalsContact C-N 3.26Å; C152-S154 PolarHBondContact O-N 2.85Å; C152-S154 VanDerWaalsContact SG-CB 3.55Å; C152-L159 HydrophobicContact CB-CB 4.08Å; C152-L159 WeakPolarHBondContact CB-O 3.09Å; C152-L159 PolarHBondContact N-O 3.46Å; C152-L201 HydrophobicContact CB-CD1 4.07Å; C152-Q203 PolarHBondContact SG-O 2.65Å; C152-G205 VanDerWaalsContact SG-CA 3.51Å
153	P	91.4	Very high	95.6	Very high	19 Å²	19	40 Å²	40	12%	0.123	21%	0.206	C	C	.	.			trans	-78.4	-9.5	179.7	33	-37.1	0	0	0	113	Q16 L151	Q16-P153 HydrophobicContact CB-CB 3.93Å; Q16-P153 HydrophobicContact CG-CB 4.3Å; L151-P153 WeakPolarHBondContact O-CD 3.43Å
154	S	92.4	Very high	95.6	Very high	22 Å²	22	35.7 Å²	35.7	15%	0.154	18%	0.183	C	C	.	.			trans	-60.8	140.6	179	179.7	0	0	0	0	112.6	R112 C152 E156 K157 Q203	R112-S154 PolarHBondContact NH1-O 3.19Å; R112-S154 PolarHBondContact NH2-O 3.18Å; C152-S154 VanDerWaalsContact C-N 3.26Å; C152-S154 PolarHBondContact O-N 2.85Å; C152-S154 VanDerWaalsContact SG-CB 3.55Å; S154-E156 VanDerWaalsContact C-N 3.29Å; S154-E156 PolarHBondContact OG-N 2.93Å; S154-K157 VanDerWaalsContact O-O 3.05Å; S154-K157 PolarHBondContact OG-N 3.13Å; S154-Q203 WeakPolarHBondContact CB-O 3.4Å
155	L	89.1	Confident	95.4	Very high	131 Å²	131	40.5 Å²	40.5	69%	0.686	21%	0.206	S	C	*	.	S	Bend	trans	-70.6	-27.9	170	-62.8	179.6	0	0	0	111.9
156	E	90.6	Very high	95.4	Very high	189 Å²	189	43 Å²	43	88%	0.883	21%	0.208	S	C	*	.	S	Bend	trans	-83.9	-27.2	-176	-60.3	179.3	175.2	0	0	112.9	S154	S154-E156 VanDerWaalsContact C-N 3.29Å; S154-E156 PolarHBondContact OG-N 2.93Å
157	K	92.3	Very high	95.5	Very high	55 Å²	55	39.9 Å²	39.9	24%	0.239	20%	0.2	C	C	.	.			trans	-129.1	125.7	-175.4	-161.6	175.3	-171.9	179	0	111.3	R112 S154 L159 G205 T223	R112-K157 PolarHBondContact NH1-O 3.33Å; S154-K157 VanDerWaalsContact O-O 3.05Å; S154-K157 PolarHBondContact OG-N 3.13Å; K157-L159 HydrophobicContact CD-CB 4.35Å; K157-L159 HydrophobicContact CG-CB 4.14Å; K157-G205 WeakPolarHBondContact CD-O 3.38Å; K157-G205 WeakPolarHBondContact CE-O 3.19Å; K157-G205 PolarHBondContact NZ-O 2.89Å; K157-T223 PolarHBondContact NZ-OG1 2.86Å
158	Q	94.8	Very high	95.5	Very high	31 Å²	31	40 Å²	40	15%	0.145	20%	0.201	C	C	.	.			trans	-106.1	47.6	-177.9	-46.1	-157.5	-1.3	0	0	112.1	D114 L175 A176	D114-Q158 PolarHBondContact OD2-NE2 2.94Å; D114-Q158 VanDerWaalsContact OD2-NE2 3.12Å; D114-Q158 PolarHBondContact OD2-OE1 2.86Å; Q158-L175 HydrophobicContact CB-CB 4.06Å; Q158-L175 WeakPolarHBondContact O-CB 3.37Å; Q158-L175 WeakPolarHBondContact O-CG 3.43Å; Q158-L175 PolarHBondContact O-N 3.38Å; Q158-A176 HydrophobicContact CG-CB 4.3Å
159	L	97.1	Very high	95.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	125.5	-174.4	-166.1	68.7	0	0	0	111.2	C152 K157 L172 V173 F187 L201 T223	C152-L159 HydrophobicContact CB-CB 4.08Å; C152-L159 WeakPolarHBondContact CB-O 3.09Å; C152-L159 PolarHBondContact N-O 3.46Å; K157-L159 HydrophobicContact CD-CB 4.35Å; K157-L159 HydrophobicContact CG-CB 4.14Å; L159-L172 HydrophobicContact CD1-CB 4.23Å; L159-L172 HydrophobicContact CD2-CD2 3.98Å; L159-L172 HydrophobicContact CG-CD2 4.49Å; L159-V173 WeakPolarHBondContact CA-O 3.43Å; L159-F187 HydrophobicContact CD1-CE1 4.42Å; L159-L201 HydrophobicContact CB-CD1 4.39Å; L159-L201 HydrophobicContact CD2-CD1 4.36Å; L159-L201 HydrophobicContact CD2-CD2 3.95Å; L159-L201 HydrophobicContact CG-CD1 4.4Å; L159-L201 WeakPolarHBondContact O-CD1 3.33Å; L159-T223 HydrophobicContact CD2-CG2 3.75Å
160	L	98.1	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	136.2	169.1	173.2	68	0	0	0	109	V117 I124 V126 F139 C149 L151 F162 L172 V173 L175	V117-L160 HydrophobicContact CG1-CD1 4.1Å; V117-L160 HydrophobicContact CG1-CD2 4.42Å; V117-L160 HydrophobicContact CG2-CD1 4.41Å; I124-L160 HydrophobicContact CG2-CD2 4.31Å; V126-L160 HydrophobicContact CG2-CD2 4.18Å; F139-L160 HydrophobicContact CD2-CD2 4.24Å; F139-L160 HydrophobicContact CE2-CD2 3.93Å; C149-L160 HydrophobicContact CB-CD1 4.26Å; L151-L160 HydrophobicContact CD1-CB 4.22Å; L151-L160 HydrophobicContact CD1-CD1 4.37Å; L160-F162 HydrophobicContact CD2-CD1 4.12Å; L160-F162 HydrophobicContact CD2-CE1 4.13Å; L160-F162 HydrophobicContact CG-CD1 4Å; L160-F162 HydrophobicContact CG-CE1 4.35Å; L160-L172 CarbonylContact O-C 3.47Å; L160-L172 VanDerWaalsContact O-CA 3.32Å; L160-L172 WeakPolarHBondContact O-CA 3.22Å; L160-V173 PolarHBondContact N-O 3Å; L160-V173 PolarHBondContact O-N 2.9Å; L160-L175 HydrophobicContact CB-CD1 3.77Å; L160-L175 HydrophobicContact CB-CD2 4.41Å; L160-L175 HydrophobicContact CB-CG 4.08Å; L160-L175 HydrophobicContact CD2-CD1 4.31Å; L160-L175 HydrophobicContact CD2-CD2 4.4Å
161	V	98.5	Very high	95.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	141.2	172.1	64	0	0	0	0	111.7	C149 D150 L170 Q171 L172 V199 L201 V208	C149-V161 CarbonylContact C-O 3.59Å; C149-V161 WeakPolarHBondContact CA-O 3.33Å; C149-V161 WeakPolarHBondContact CB-O 3.06Å; D150-V161 HydrophobicContact CB-CG1 3.85Å; D150-V161 PolarHBondContact N-O 2.87Å; D150-V161 PolarHBondContact O-N 2.93Å; V161-L170 HydrophobicContact CG2-CB 4.18Å; V161-L170 HydrophobicContact CG2-CD2 4.37Å; V161-Q171 WeakPolarHBondContact CA-O 3.41Å; V161-L172 HydrophobicContact CB-CD2 4.46Å; V161-L172 HydrophobicContact CB-CG 4.13Å; V161-L172 HydrophobicContact CG2-CD1 4.24Å; V161-L172 HydrophobicContact CG2-CD2 4.35Å; V161-L172 HydrophobicContact CG2-CG 3.83Å; V161-V199 HydrophobicContact CB-CG2 4.44Å; V161-V199 HydrophobicContact CG1-CG2 3.67Å; V161-V199 HydrophobicContact CG2-CG2 3.85Å; V161-L201 HydrophobicContact CB-CD1 4.42Å; V161-L201 HydrophobicContact CG1-CD1 3.79Å; V161-L201 HydrophobicContact CG1-CD2 4.23Å; V161-L201 HydrophobicContact CG1-CG 3.7Å; V161-V208 HydrophobicContact CG1-CG2 4.33Å; V161-V208 HydrophobicContact CG2-CG2 4.14Å
162	F	98.2	Very high	95.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	167	176.2	54.4	-87.2	0	0	0	111	I124 F139 T141 C149 L160 G164 L170 Q171 V173	I124-F162 HydrophobicContact CD1-CB 3.54Å; I124-F162 HydrophobicContact CD1-CD1 3.79Å; I124-F162 HydrophobicContact CD1-CD2 3.78Å; I124-F162 HydrophobicContact CD1-CE1 4.41Å; I124-F162 HydrophobicContact CD1-CE2 4.4Å; I124-F162 HydrophobicContact CD1-CG 3.44Å; I124-F162 VanDerWaalsContact CD1-CG 3.44Å; F139-F162 HydrophobicContact CB-CE2 4.44Å; F139-F162 HydrophobicContact CB-CZ 3.94Å; F139-F162 HydrophobicContact CD1-CZ 4.41Å; F139-F162 HydrophobicContact CD2-CE1 4.36Å; F139-F162 HydrophobicContact CD2-CZ 4.47Å; F139-F162 HydrophobicContact CG-CE1 4.35Å; F139-F162 HydrophobicContact CG-CZ 4.03Å; T141-F162 HydrophobicContact CG2-CD2 3.75Å; T141-F162 HydrophobicContact CG2-CE2 3.92Å; C149-F162 HydrophobicContact CB-CB 4.16Å; L160-F162 HydrophobicContact CD2-CD1 4.12Å; L160-F162 HydrophobicContact CD2-CE1 4.13Å; L160-F162 HydrophobicContact CG-CD1 4Å; L160-F162 HydrophobicContact CG-CE1 4.35Å; F162-G164 PolarHBondContact O-N 2.87Å; F162-L170 WeakPolarHBondContact O-CA 3.25Å; F162-Q171 HydrophobicContact CD2-CB 4.12Å; F162-Q171 HydrophobicContact CE1-CB 4.43Å; F162-Q171 HydrophobicContact CE1-CG 4.29Å; F162-Q171 HydrophobicContact CE2-CB 3.72Å; F162-Q171 HydrophobicContact CE2-CG 3.86Å; F162-Q171 HydrophobicContact CZ-CB 3.9Å; F162-Q171 HydrophobicContact CZ-CG 3.62Å; F162-Q171 PolarHBondContact N-O 2.78Å; F162-Q171 PolarHBondContact O-N 3.44Å; F162-V173 HydrophobicContact CE1-CG2 3.86Å; F162-V173 HydrophobicContact CZ-CG2 4.21Å
163	P	97.4	Very high	95.4	Very high	15 Å²	15	37.9 Å²	37.9	10%	0.097	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	127.1	173.6	-23.7	34.3	0	0	0	112	L148 I196	L148-P163 HydrophobicContact CB-CG 3.82Å; L148-P163 HydrophobicContact CD1-CG 4.16Å; L148-P163 WeakPolarHBondContact O-CD 3.28Å; P163-I196 HydrophobicContact CB-CB 4.34Å; P163-I196 HydrophobicContact CB-CG1 4.44Å; P163-I196 HydrophobicContact CG-CB 4.17Å; P163-I196 HydrophobicContact CG-CG2 4.38Å
164	G	94.4	Very high	95.5	Very high	2 Å²	2	40 Å²	40	2%	0.021	20%	0.2	C	C	.	.			trans	-79.5	177	179.5	0	0	0	0	0	113.7	F162 K166 S169	F162-G164 PolarHBondContact O-N 2.87Å; G164-K166 VanDerWaalsContact C-N 3.28Å; G164-K166 PolarHBondContact O-N 2.96Å; G164-S169 WeakPolarHBondContact CA-OG 3.31Å; G164-S169 PolarHBondContact N-O 3.5Å
165	H	93.5	Very high	95.6	Very high	105 Å²	105	38.9 Å²	38.9	49%	0.486	19%	0.192	S	C	.	.	S	Bend	trans	-65.7	-25.4	-178	-63.9	-75.2	0	0	0	114.5	D140 R142	D140-H165 PolarHBondContact O-CE1 3.45Å; R142-H165 PolarHBondContact NE-O 3Å; R142-H165 PolarHBondContact NH2-O 3.11Å
166	K	94.9	Very high	95.8	Very high	141 Å²	141	35.1 Å²	35.1	61%	0.613	18%	0.18	S	C	*	.	S	Bend	trans	-89.8	144.5	176.2	-67.7	-177.4	179.4	179.6	0	110.4	G164 G168 S169	G164-K166 VanDerWaalsContact C-N 3.28Å; G164-K166 PolarHBondContact O-N 2.96Å; K166-G168 PolarHBondContact O-N 3.09Å; K166-S169 PolarHBondContact N-OG 3.14Å; K166-S169 WeakPolarHBondContact O-CB 3.42Å; K166-S169 PolarHBondContact O-N 3.44Å; K166-S169 PolarHBondContact O-OG 2.79Å
167	C	96.4	Very high	95.6	Very high	54 Å²	54	27.7 Å²	27.7	37%	0.365	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	130.5	177.3	-170	0	0	0	0	110.3	R142 S169 D195	R142-C167 VanDerWaalsContact CZ-N 3.3Å; R142-C167 VanDerWaalsContact NH1-CB 3.26Å; C167-S169 PolarHBondContact O-N 2.98Å; C167-S169 VanDerWaalsContact O-N 3.13Å; C167-D195 PolarHBondContact SG-OD1 2.96Å; C167-D195 VanDerWaalsContact SG-OD1 3.33Å
168	G	96.9	Very high	95.2	Very high	2 Å²	2	27.7 Å²	27.7	2%	0.021	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	11.5	179.8	0	0	0	0	0	115.6	K166 A191 H192 S194 I196	K166-G168 PolarHBondContact O-N 3.09Å; G168-A191 PolarHBondContact O-N 3.03Å; G168-A191 VanDerWaalsContact O-N 3.08Å; G168-H192 WeakPolarHBondContact CA-O 3.33Å; G168-H192 PolarHBondContact O-N 3.49Å; G168-S194 WeakPolarHBondContact CA-O 3.46Å; G168-I196 WeakPolarHBondContact O-CD1 3.43Å
169	S	97.7	Very high	94.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	152.4	173.3	71.9	0	0	0	0	112.1	G164 K166 C167 I189	G164-S169 WeakPolarHBondContact CA-OG 3.31Å; G164-S169 PolarHBondContact N-O 3.5Å; K166-S169 PolarHBondContact N-OG 3.14Å; K166-S169 WeakPolarHBondContact O-CB 3.42Å; K166-S169 PolarHBondContact O-N 3.44Å; K166-S169 PolarHBondContact O-OG 2.79Å; C167-S169 PolarHBondContact O-N 2.98Å; C167-S169 VanDerWaalsContact O-N 3.13Å; S169-I189 CarbonylContact C-O 3.56Å; S169-I189 VanDerWaalsContact CA-O 3.23Å; S169-I189 WeakPolarHBondContact CA-O 3.32Å
170	L	98.2	Very high	93.1	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	141.5	169.6	-59.2	170.8	0	0	0	108.7	V161 F162 L172 T188 I189 A191 I196 V199 V208	V161-L170 HydrophobicContact CG2-CB 4.18Å; V161-L170 HydrophobicContact CG2-CD2 4.37Å; F162-L170 WeakPolarHBondContact O-CA 3.25Å; L170-L172 HydrophobicContact CB-CD1 4.04Å; L170-T188 CarbonylContact O-C 3.51Å; L170-T188 VanDerWaalsContact O-CA 3.25Å; L170-T188 WeakPolarHBondContact O-CA 3.4Å; L170-I189 HydrophobicContact CB-CB 4.41Å; L170-I189 PolarHBondContact N-O 2.79Å; L170-I189 PolarHBondContact O-N 2.97Å; L170-A191 HydrophobicContact CD1-CB 3.96Å; L170-A191 HydrophobicContact CG-CB 4.05Å; L170-I196 HydrophobicContact CD2-CD1 3.9Å; L170-I196 HydrophobicContact CD2-CG1 3.87Å; L170-I196 HydrophobicContact CD2-CG2 4.07Å; L170-I196 HydrophobicContact CG-CD1 4.34Å; L170-V199 HydrophobicContact CD2-CB 4.46Å; L170-V199 HydrophobicContact CD2-CG2 4Å; L170-V208 HydrophobicContact CD1-CG1 4.27Å; L170-V208 HydrophobicContact CD1-CG2 4.05Å
171	Q	97.5	Very high	91.6	Very high	20 Å²	20	44.2 Å²	44.2	9%	0.093	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.7	170.9	-173.8	162.6	-4.2	0	0	108.8	V161 F162 V173 P186 F187	V161-Q171 WeakPolarHBondContact CA-O 3.41Å; F162-Q171 HydrophobicContact CD2-CB 4.12Å; F162-Q171 HydrophobicContact CE1-CB 4.43Å; F162-Q171 HydrophobicContact CE1-CG 4.29Å; F162-Q171 HydrophobicContact CE2-CB 3.72Å; F162-Q171 HydrophobicContact CE2-CG 3.86Å; F162-Q171 HydrophobicContact CZ-CB 3.9Å; F162-Q171 HydrophobicContact CZ-CG 3.62Å; F162-Q171 PolarHBondContact N-O 2.78Å; F162-Q171 PolarHBondContact O-N 3.44Å; Q171-V173 HydrophobicContact CG-CG2 4.43Å; Q171-P186 HydrophobicContact CG-CB 3.85Å; Q171-P186 VanDerWaalsContact NE2-CB 3.32Å; Q171-F187 WeakPolarHBondContact CA-O 3.41Å
172	L	97.3	Very high	90.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	133.4	-177.3	-66.4	92.1	0	0	0	109.1	L159 L160 V161 L170 P186 F187 I189 V208 T223	L159-L172 HydrophobicContact CD1-CB 4.23Å; L159-L172 HydrophobicContact CD2-CD2 3.98Å; L159-L172 HydrophobicContact CG-CD2 4.49Å; L160-L172 CarbonylContact O-C 3.47Å; L160-L172 VanDerWaalsContact O-CA 3.32Å; L160-L172 WeakPolarHBondContact O-CA 3.22Å; V161-L172 HydrophobicContact CB-CD2 4.46Å; V161-L172 HydrophobicContact CB-CG 4.13Å; V161-L172 HydrophobicContact CG2-CD1 4.24Å; V161-L172 HydrophobicContact CG2-CD2 4.35Å; V161-L172 HydrophobicContact CG2-CG 3.83Å; L170-L172 HydrophobicContact CB-CD1 4.04Å; L172-P186 WeakPolarHBondContact O-CA 3.49Å; L172-F187 HydrophobicContact CB-CD1 4.08Å; L172-F187 HydrophobicContact CB-CD2 4.09Å; L172-F187 HydrophobicContact CB-CE1 3.55Å; L172-F187 HydrophobicContact CB-CE2 3.58Å; L172-F187 HydrophobicContact CB-CG 4.33Å; L172-F187 HydrophobicContact CB-CZ 3.27Å; L172-F187 HydrophobicContact CD1-CD2 4.17Å; L172-F187 HydrophobicContact CD1-CE2 3.72Å; L172-F187 HydrophobicContact CD1-CZ 4.25Å; L172-F187 HydrophobicContact CD2-CE2 3.85Å; L172-F187 HydrophobicContact CD2-CZ 3.69Å; L172-F187 HydrophobicContact CG-CE2 3.9Å; L172-F187 HydrophobicContact CG-CZ 3.9Å; L172-F187 PolarHBondContact N-O 2.62Å; L172-F187 PolarHBondContact O-N 2.96Å; L172-I189 HydrophobicContact CD1-CB 4.49Å; L172-I189 HydrophobicContact CD1-CD1 3.77Å; L172-I189 HydrophobicContact CD1-CG1 3.91Å; L172-V208 HydrophobicContact CD2-CG1 4.33Å; L172-T223 HydrophobicContact CD2-CG2 3.91Å
173	V	96.1	Very high	88.9	Confident	4 Å²	4	52.7 Å²	52.7	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.2	-175.5	-167.6	0	0	0	0	110	F139 L159 L160 F162 Q171 L175 P186	F139-V173 HydrophobicContact CE1-CB 4.44Å; F139-V173 HydrophobicContact CE1-CG1 3.92Å; F139-V173 HydrophobicContact CE1-CG2 4.01Å; F139-V173 HydrophobicContact CZ-CB 4.19Å; F139-V173 HydrophobicContact CZ-CG1 3.72Å; F139-V173 HydrophobicContact CZ-CG2 4.16Å; L159-V173 WeakPolarHBondContact CA-O 3.43Å; L160-V173 PolarHBondContact N-O 3Å; L160-V173 PolarHBondContact O-N 2.9Å; F162-V173 HydrophobicContact CE1-CG2 3.86Å; F162-V173 HydrophobicContact CZ-CG2 4.21Å; Q171-V173 HydrophobicContact CG-CG2 4.43Å; V173-L175 HydrophobicContact CB-CD2 4.48Å; V173-L175 HydrophobicContact CG1-CD2 4.18Å; V173-P186 HydrophobicContact CG1-CG 4.43Å; V173-P186 HydrophobicContact CG2-CB 3.81Å; V173-P186 HydrophobicContact CG2-CG 3.84Å
174	D	94.8	Very high	88	Confident	63 Å²	63	53.7 Å²	53.7	34%	0.337	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.3	168.7	-175.7	-4.3	0	0	0	109.9	A176	D174-A176 VanDerWaalsContact OD1-CB 3.27Å; D174-A176 WeakPolarHBondContact OD1-CB 3.28Å; D174-A176 PolarHBondContact OD1-N 2.54Å
175	L	94.6	Very high	87.4	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	36%	0.358	C	S	.	.			trans	-90.6	3.7	-176.6	-55.9	177.6	0	0	0	113.7	K115 V126 F137 F139 L151 Q158 L160 V173 T178	K115-L175 HydrophobicContact CD-CB 4.01Å; K115-L175 HydrophobicContact CD-CD1 4.1Å; K115-L175 WeakPolarHBondContact CE-O 3.34Å; V126-L175 HydrophobicContact CG1-CD1 4.09Å; V126-L175 HydrophobicContact CG2-CD1 4.44Å; V126-L175 HydrophobicContact CG2-CD2 4.37Å; F137-L175 HydrophobicContact CD2-CD2 3.72Å; F137-L175 HydrophobicContact CE2-CB 4.06Å; F137-L175 HydrophobicContact CE2-CD2 3.91Å; F137-L175 HydrophobicContact CG-CD2 4.24Å; F139-L175 HydrophobicContact CE2-CD2 4.1Å; F139-L175 HydrophobicContact CZ-CD2 4Å; L151-L175 HydrophobicContact CD1-CD1 3.9Å; Q158-L175 HydrophobicContact CB-CB 4.06Å; Q158-L175 WeakPolarHBondContact O-CB 3.37Å; Q158-L175 WeakPolarHBondContact O-CG 3.43Å; Q158-L175 PolarHBondContact O-N 3.38Å; L160-L175 HydrophobicContact CB-CD1 3.77Å; L160-L175 HydrophobicContact CB-CD2 4.41Å; L160-L175 HydrophobicContact CB-CG 4.08Å; L160-L175 HydrophobicContact CD2-CD1 4.31Å; L160-L175 HydrophobicContact CD2-CD2 4.4Å; V173-L175 HydrophobicContact CB-CD2 4.48Å; V173-L175 HydrophobicContact CG1-CD2 4.18Å; L175-T178 WeakPolarHBondContact O-CG2 3.26Å
176	A	92	Very high	87.2	Confident	51 Å²	51	55.1 Å²	55.1	42%	0.421	35%	0.352	S	S	.	.			trans	-67.3	-36.2	179.9	0	0	0	0	0	112.6	Q158 D174 T178	Q158-A176 HydrophobicContact CG-CB 4.3Å; D174-A176 VanDerWaalsContact OD1-CB 3.27Å; D174-A176 WeakPolarHBondContact OD1-CB 3.28Å; D174-A176 PolarHBondContact OD1-N 2.54Å; A176-T178 PolarHBondContact O-N 3.25Å
177	S	87.4	Confident	87.2	Confident	34 Å²	34	50.3 Å²	50.3	24%	0.238	33%	0.331	C	S	.	.			trans	-78.1	78.6	-177.2	-61.5	0	0	0	0	111.8	F137 S184	F137-S177 WeakPolarHBondContact CZ-O 3.25Å; S177-S184 PolarHBondContact OG-OG 2.93Å
178	T	83.3	Confident	87.2	Confident	55 Å²	55	51.1 Å²	51.1	34%	0.337	34%	0.335	S	S	.	.			trans	-96.1	-4.9	-178.7	56.8	0	0	0	0	114.1	L136 F137 L175 A176	L136-T178 HydrophobicContact CD1-CG2 4.05Å; L136-T178 HydrophobicContact CD2-CG2 4.39Å; F137-T178 HydrophobicContact CE2-CG2 3.92Å; F137-T178 HydrophobicContact CZ-CG2 3.96Å; L175-T178 WeakPolarHBondContact O-CG2 3.26Å; A176-T178 PolarHBondContact O-N 3.25Å
179	K	78.6	Confident	87.3	Confident	157 Å²	157	51.3 Å²	51.3	68%	0.683	34%	0.335	S	S	*	.	S	Bend	trans	-76.7	137.1	-179.2	-66.3	-175.9	-178.6	178.7	0	110.2	G181 T182	K179-G181 PolarHBondContact O-N 2.97Å; K179-T182 HydrophobicContact CB-CG2 4.45Å; K179-T182 PolarHBondContact O-N 3.06Å; K179-T182 VanDerWaalsContact O-N 3.08Å; K179-T182 PolarHBondContact O-OG1 3.46Å
180	P	68.4	Low	87.3	Confident	137 Å²	137	57 Å²	57	89%	0.89	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	131.1	170.5	-25	34	0	0	0	110.8
181	G	67.9	Low	87.3	Confident	87 Å²	87	57.1 Å²	57.1	90%	0.897	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.7	-8.9	-179	0	0	0	0	0	115.6	K179	K179-G181 PolarHBondContact O-N 2.97Å
182	T	72.9	Confident	87.3	Confident	70 Å²	70	56.9 Å²	56.9	43%	0.429	37%	0.365	S	S	.	.			trans	-104.2	120.5	167.5	59.7	0	0	0	0	109.1	K179	K179-T182 HydrophobicContact CB-CG2 4.45Å; K179-T182 PolarHBondContact O-N 3.06Å; K179-T182 VanDerWaalsContact O-N 3.08Å; K179-T182 PolarHBondContact O-OG1 3.46Å
183	S	67.4	Low	87.2	Confident	109 Å²	109	65 Å²	65	76%	0.762	40%	0.403	S	S	*	.			trans	-125.9	126.6	176.2	-176.4	0	0	0	0	110
184	S	77.2	Confident	87.3	Confident	36 Å²	36	65.8 Å²	65.8	25%	0.252	41%	0.409	S	S	.	.			trans	-87.8	103.6	163.8	-63.6	0	0	0	0	107.4	S177	S177-S184 PolarHBondContact OG-OG 2.93Å
185	A	82.4	Confident	87.4	Confident	79 Å²	79	65.5 Å²	65.5	65%	0.653	41%	0.408	S	S	*	.			trans	-58.9	129.5	178.9	0	0	0	0	0	110
186	P	90	Very high	87.5	Confident	57 Å²	57	66.1 Å²	66.1	37%	0.37	41%	0.411	S	S	.	.			trans	-54.1	143.7	171	-26.3	34.7	0	0	0	110.9	Q171 L172 V173	Q171-P186 HydrophobicContact CG-CB 3.85Å; Q171-P186 VanDerWaalsContact NE2-CB 3.32Å; L172-P186 WeakPolarHBondContact O-CA 3.49Å; V173-P186 HydrophobicContact CG1-CG 4.43Å; V173-P186 HydrophobicContact CG2-CB 3.81Å; V173-P186 HydrophobicContact CG2-CG 3.84Å
187	F	93.7	Very high	87.8	Confident	41 Å²	41	64.2 Å²	64.2	18%	0.18	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	155.4	169	66.8	-88.9	0	0	0	111.3	L159 Q171 L172 I189 T223 K226	L159-F187 HydrophobicContact CD1-CE1 4.42Å; Q171-F187 WeakPolarHBondContact CA-O 3.41Å; L172-F187 HydrophobicContact CB-CD1 4.08Å; L172-F187 HydrophobicContact CB-CD2 4.09Å; L172-F187 HydrophobicContact CB-CE1 3.55Å; L172-F187 HydrophobicContact CB-CE2 3.58Å; L172-F187 HydrophobicContact CB-CG 4.33Å; L172-F187 HydrophobicContact CB-CZ 3.27Å; L172-F187 HydrophobicContact CD1-CD2 4.17Å; L172-F187 HydrophobicContact CD1-CE2 3.72Å; L172-F187 HydrophobicContact CD1-CZ 4.25Å; L172-F187 HydrophobicContact CD2-CE2 3.85Å; L172-F187 HydrophobicContact CD2-CZ 3.69Å; L172-F187 HydrophobicContact CG-CE2 3.9Å; L172-F187 HydrophobicContact CG-CZ 3.9Å; L172-F187 PolarHBondContact N-O 2.62Å; L172-F187 PolarHBondContact O-N 2.96Å; F187-I189 HydrophobicContact CD2-CG1 4.46Å; F187-I189 HydrophobicContact CE2-CD1 4.29Å; F187-I189 HydrophobicContact CE2-CG1 4.39Å; F187-T223 WeakPolarHBondContact CE2-O 3.28Å; F187-T223 WeakPolarHBondContact CZ-O 3.14Å; F187-K226 HydrophobicContact CD2-CD 3.93Å; F187-K226 HydrophobicContact CD2-CG 3.83Å; F187-K226 HydrophobicContact CE2-CG 3.99Å
188	T	96.9	Very high	88.3	Confident	71 Å²	71	63.1 Å²	63.1	44%	0.436	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.7	-173.5	-54.6	0	0	0	0	111.2	L170	L170-T188 CarbonylContact O-C 3.51Å; L170-T188 VanDerWaalsContact O-CA 3.25Å; L170-T188 WeakPolarHBondContact O-CA 3.4Å
189	I	98.3	Very high	89	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.9	168.9	-61.1	178.7	0	0	0	108	S169 L170 L172 F187 A191 V208 F221 K226	S169-I189 CarbonylContact C-O 3.56Å; S169-I189 VanDerWaalsContact CA-O 3.23Å; S169-I189 WeakPolarHBondContact CA-O 3.32Å; L170-I189 HydrophobicContact CB-CB 4.41Å; L170-I189 PolarHBondContact N-O 2.79Å; L170-I189 PolarHBondContact O-N 2.97Å; L172-I189 HydrophobicContact CD1-CB 4.49Å; L172-I189 HydrophobicContact CD1-CD1 3.77Å; L172-I189 HydrophobicContact CD1-CG1 3.91Å; F187-I189 HydrophobicContact CD2-CG1 4.46Å; F187-I189 HydrophobicContact CE2-CD1 4.29Å; F187-I189 HydrophobicContact CE2-CG1 4.39Å; I189-A191 HydrophobicContact CG2-CB 4.34Å; I189-A191 PolarHBondContact O-N 3.17Å; I189-A191 VanDerWaalsContact O-N 3.07Å; I189-V208 HydrophobicContact CD1-CG1 4.14Å; I189-F221 HydrophobicContact CD1-CB 3.87Å; I189-F221 HydrophobicContact CD1-CG 4.35Å; I189-F221 HydrophobicContact CG2-CB 4.37Å; I189-F221 HydrophobicContact CG2-CD1 3.47Å; I189-F221 VanDerWaalsContact CG2-CD1 3.47Å; I189-F221 HydrophobicContact CG2-CD2 4.13Å; I189-F221 HydrophobicContact CG2-CE1 3.65Å; I189-F221 HydrophobicContact CG2-CE2 4.29Å; I189-F221 HydrophobicContact CG2-CG 3.74Å; I189-F221 HydrophobicContact CG2-CZ 4.08Å; I189-K226 HydrophobicContact CD1-CB 4.43Å; I189-K226 HydrophobicContact CG1-CB 4.14Å; I189-K226 HydrophobicContact CG1-CG 4.38Å
190	N	97.8	Very high	89.9	Confident	119 Å²	119	53.9 Å²	53.9	64%	0.636	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	84.6	173.2	-62.7	-46.3	0	0	0	109.2
191	A	97.7	Very high	91.3	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.033	30%	0.304	C	S	.	.			trans	-82.2	-37.3	-167.9	0	0	0	0	0	113.6	G168 L170 I189 I196 R219 F221	G168-A191 PolarHBondContact O-N 3.03Å; G168-A191 VanDerWaalsContact O-N 3.08Å; L170-A191 HydrophobicContact CD1-CB 3.96Å; L170-A191 HydrophobicContact CG-CB 4.05Å; I189-A191 HydrophobicContact CG2-CB 4.34Å; I189-A191 PolarHBondContact O-N 3.17Å; I189-A191 VanDerWaalsContact O-N 3.07Å; A191-I196 HydrophobicContact CB-CD1 4.37Å; A191-R219 WeakPolarHBondContact O-CD 3.44Å; A191-R219 PolarHBondContact O-NH1 2.8Å; A191-F221 HydrophobicContact CB-CE2 3.61Å; A191-F221 HydrophobicContact CB-CZ 3.8Å
192	H	97.9	Very high	92.8	Very high	14 Å²	14	43.9 Å²	43.9	7%	0.065	26%	0.262	C	S	.	.			trans	-143	166.2	-173.6	-60.7	-87.6	0	0	0	112	G168 I196 S210 R219	G168-H192 WeakPolarHBondContact CA-O 3.33Å; G168-H192 PolarHBondContact O-N 3.49Å; H192-I196 HydrophobicContact CB-CD1 4.47Å; H192-S210 PolarHBondContact CE1-O 3Å; H192-S210 PolarHBondContact NE2-O 3Å; H192-S210 VanDerWaalsContact NE2-O 3.11Å; H192-S210 PolarHBondContact NE2-OG 3.44Å; H192-R219 PolarHBondContact ND1-NH1 2.88Å
193	Q	96.4	Very high	93.8	Very high	170 Å²	170	43 Å²	43	79%	0.794	25%	0.253	S	S	*	.	S	Bend	trans	-89.7	-17.8	175.6	-68.3	176	-7.9	0	0	113.2
194	S	96.7	Very high	95.2	Very high	21 Å²	21	40.7 Å²	40.7	15%	0.147	24%	0.236	C	C	.	.	S	Bend	trans	-120	165.7	177.1	55.9	0	0	0	0	109.8	G168 S212	G168-S194 WeakPolarHBondContact CA-O 3.46Å; S194-S212 VanDerWaalsContact OG-CB 3.27Å; S194-S212 WeakPolarHBondContact OG-CB 3.15Å; S194-S212 PolarHBondContact OG-OG 2.87Å
195	D	97	Very high	96.1	Very high	57 Å²	57	39 Å²	39	31%	0.305	22%	0.224	S	C	.	.			trans	-53.1	144.4	-175	-68.3	-38.8	0	0	0	112.8	R142 C167 A197 S212 Q213	R142-D195 IonicContact NH1-OD1 3.18Å; C167-D195 PolarHBondContact SG-OD1 2.96Å; C167-D195 VanDerWaalsContact SG-OD1 3.33Å; D195-A197 PolarHBondContact O-N 2.94Å; D195-S212 CarbonylContact O-C 3.55Å; D195-S212 WeakPolarHBondContact O-CA 3.38Å; D195-S212 VanDerWaalsContact O-CB 3.28Å; D195-S212 WeakPolarHBondContact O-CB 3.23Å; D195-Q213 HydrophobicContact CB-CG 4.12Å; D195-Q213 PolarHBondContact O-N 2.77Å
196	I	98.1	Very high	96.8	Very high	14 Å²	14	38.2 Å²	38.2	7%	0.072	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.5	175.1	-56.5	-60.3	0	0	0	108.5	L148 P163 G168 L170 A191 H192 V199	L148-I196 HydrophobicContact CD1-CG2 4.15Å; L148-I196 VanDerWaalsContact CD1-O 3.25Å; L148-I196 WeakPolarHBondContact CD1-O 3.17Å; P163-I196 HydrophobicContact CB-CB 4.34Å; P163-I196 HydrophobicContact CB-CG1 4.44Å; P163-I196 HydrophobicContact CG-CB 4.17Å; P163-I196 HydrophobicContact CG-CG2 4.38Å; G168-I196 WeakPolarHBondContact O-CD1 3.43Å; L170-I196 HydrophobicContact CD2-CD1 3.9Å; L170-I196 HydrophobicContact CD2-CG1 3.87Å; L170-I196 HydrophobicContact CD2-CG2 4.07Å; L170-I196 HydrophobicContact CG-CD1 4.34Å; A191-I196 HydrophobicContact CB-CD1 4.37Å; H192-I196 HydrophobicContact CB-CD1 4.47Å; I196-V199 HydrophobicContact CG2-CB 4.48Å
197	A	97.1	Very high	97.2	Very high	10 Å²	10	36.6 Å²	36.6	8%	0.083	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	-24.5	177.7	0	0	0	0	0	112.8	D195 A211 S212 Q213	D195-A197 PolarHBondContact O-N 2.94Å; A197-A211 PolarHBondContact N-O 2.98Å; A197-S212 VanDerWaalsContact CB-C 3.49Å; A197-Q213 HydrophobicContact CB-CG 4.27Å
198	C	97.6	Very high	97.5	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	143.3	177.4	-164.8	0	0	0	0	110	S210 A211 L241 I244	C198-S210 VanDerWaalsContact O-CA 3.31Å; C198-S210 WeakPolarHBondContact O-CA 3.13Å; C198-A211 HydrophobicContact CB-CB 4.43Å; C198-A211 PolarHBondContact N-O 2.9Å; C198-A211 VanDerWaalsContact N-O 3.14Å; C198-A211 PolarHBondContact O-N 2.73Å; C198-L241 HydrophobicContact CB-CB 4.27Å; C198-I244 HydrophobicContact CB-CD1 3.87Å; C198-I244 HydrophobicContact CB-CG1 4.34Å
199	V	98.3	Very high	97.5	Very high	14 Å²	14	31.2 Å²	31.2	9%	0.085	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	141.4	177.9	64.7	0	0	0	0	109.5	V161 L170 I196 V208 A209	V161-V199 HydrophobicContact CB-CG2 4.44Å; V161-V199 HydrophobicContact CG1-CG2 3.67Å; V161-V199 HydrophobicContact CG2-CG2 3.85Å; L170-V199 HydrophobicContact CD2-CB 4.46Å; L170-V199 HydrophobicContact CD2-CG2 4Å; I196-V199 HydrophobicContact CG2-CB 4.48Å; V199-V208 HydrophobicContact CG2-CG2 3.78Å; V199-A209 WeakPolarHBondContact CA-O 3.37Å
200	S	98.4	Very high	97.6	Very high	4 Å²	4	31 Å²	31	3%	0.028	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	141.4	175.2	173.6	0	0	0	0	110.8	D150 V208 A209 I244	D150-S200 VanDerWaalsContact OD2-CA 3.27Å; D150-S200 WeakPolarHBondContact OD2-CA 3.39Å; S200-V208 CarbonylContact O-C 3.59Å; S200-V208 WeakPolarHBondContact O-CA 3.16Å; S200-A209 PolarHBondContact N-O 3.39Å; S200-A209 PolarHBondContact O-N 2.67Å; S200-I244 VanDerWaalsContact CB-O 3.28Å; S200-I244 WeakPolarHBondContact CB-O 3.26Å; S200-I244 PolarHBondContact OG-O 3.38Å
201	L	98.4	Very high	97.6	Very high	10 Å²	10	25.3 Å²	25.3	5%	0.052	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	147.4	168.5	-71.6	168.1	0	0	0	109.9	D150 C152 L159 V161 V208 T223	D150-L201 PolarHBondContact OD2-N 3.44Å; C152-L201 HydrophobicContact CB-CD1 4.07Å; L159-L201 HydrophobicContact CB-CD1 4.39Å; L159-L201 HydrophobicContact CD2-CD1 4.36Å; L159-L201 HydrophobicContact CD2-CD2 3.95Å; L159-L201 HydrophobicContact CG-CD1 4.4Å; L159-L201 WeakPolarHBondContact O-CD1 3.33Å; V161-L201 HydrophobicContact CB-CD1 4.42Å; V161-L201 HydrophobicContact CG1-CD1 3.79Å; V161-L201 HydrophobicContact CG1-CD2 4.23Å; V161-L201 HydrophobicContact CG1-CG 3.7Å; L201-V208 HydrophobicContact CD2-CB 3.79Å; L201-V208 HydrophobicContact CD2-CG2 4.16Å; L201-T223 HydrophobicContact CD2-CG2 4Å
202	N	97.8	Very high	97.6	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	14%	0.14	C	C	.	.			trans	-73.5	166	166.1	72.5	-23.3	0	0	0	111.4	G205 T206 V207 F246 S250	N202-G205 WeakPolarHBondContact O-CA 3.31Å; N202-G205 PolarHBondContact O-N 2.84Å; N202-G205 WeakPolarHBondContact OD1-CA 3.47Å; N202-G205 PolarHBondContact OD1-N 2.98Å; N202-G205 VanDerWaalsContact OD1-N 3.14Å; N202-T206 PolarHBondContact ND2-OG1 2.83Å; N202-T206 PolarHBondContact OD1-N 2.94Å; N202-V207 PolarHBondContact N-O 3.49Å; N202-V207 PolarHBondContact OD1-N 2.81Å; N202-V207 PolarHBondContact OD1-O 2.84Å; N202-F246 HydrophobicContact CB-CB 4.13Å; N202-F246 HydrophobicContact CB-CD1 3.85Å; N202-F246 HydrophobicContact CB-CD2 3.81Å; N202-F246 HydrophobicContact CB-CE1 4.14Å; N202-F246 HydrophobicContact CB-CE2 4.11Å; N202-F246 HydrophobicContact CB-CG 3.66Å; N202-F246 HydrophobicContact CB-CZ 4.26Å; N202-S250 WeakPolarHBondContact CB-OG 3.4Å; N202-S250 PolarHBondContact ND2-OG 3.21Å; N202-S250 VanDerWaalsContact ND2-OG 3.13Å
203	Q	95	Very high	97.6	Very high	52 Å²	52	30.6 Å²	30.6	24%	0.243	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-46.5	-176	-71.5	-69.1	-32	0	0	113.7	Q16 C152 S154 G205	Q16-Q203 PolarHBondContact O-NE2 2.56Å; C152-Q203 PolarHBondContact SG-O 2.65Å; S154-Q203 WeakPolarHBondContact CB-O 3.4Å; Q203-G205 PolarHBondContact O-N 2.84Å
204	P	96.4	Very high	97.6	Very high	61 Å²	61	27.8 Å²	27.8	40%	0.396	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-9.3	174.8	-20.2	35.5	0	0	0	114.9	T206	P204-T206 HydrophobicContact CB-CG2 4.05Å; P204-T206 PolarHBondContact O-N 3.4Å
205	G	96.8	Very high	97.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	66	22.4	-175	0	0	0	0	0	114	C152 K157 N202 Q203 T223	C152-G205 VanDerWaalsContact SG-CA 3.51Å; K157-G205 WeakPolarHBondContact CD-O 3.38Å; K157-G205 WeakPolarHBondContact CE-O 3.19Å; K157-G205 PolarHBondContact NZ-O 2.89Å; N202-G205 WeakPolarHBondContact O-CA 3.31Å; N202-G205 PolarHBondContact O-N 2.84Å; N202-G205 WeakPolarHBondContact OD1-CA 3.47Å; N202-G205 PolarHBondContact OD1-N 2.98Å; N202-G205 VanDerWaalsContact OD1-N 3.14Å; Q203-G205 PolarHBondContact O-N 2.84Å; G205-T223 PolarHBondContact O-OG1 3.44Å
206	T	97.3	Very high	97.6	Very high	62 Å²	62	25.3 Å²	25.3	38%	0.38	14%	0.135	S	C	.	.	S	Bend	trans	-82.9	-26.8	178	52.2	0	0	0	0	112.3	N202 P204 T223	N202-T206 PolarHBondContact ND2-OG1 2.83Å; N202-T206 PolarHBondContact OD1-N 2.94Å; P204-T206 HydrophobicContact CB-CG2 4.05Å; P204-T206 PolarHBondContact O-N 3.4Å; T206-T223 VanDerWaalsContact C-OG1 3.23Å; T206-T223 WeakPolarHBondContact CA-OG1 3.33Å; T206-T223 WeakPolarHBondContact O-CB 3.18Å; T206-T223 WeakPolarHBondContact O-CG2 3.48Å; T206-T223 PolarHBondContact O-N 2.79Å; T206-T223 PolarHBondContact O-OG1 3.21Å
207	V	98.3	Very high	97.6	Very high	23 Å²	23	25.6 Å²	25.6	14%	0.139	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137	-177.6	-176.5	0	0	0	0	110.3	N202 L220 F221 L229 F246	N202-V207 PolarHBondContact N-O 3.49Å; N202-V207 PolarHBondContact OD1-N 2.81Å; N202-V207 PolarHBondContact OD1-O 2.84Å; V207-L220 HydrophobicContact CG1-CB 4.02Å; V207-L220 HydrophobicContact CG1-CD2 4.11Å; V207-L220 HydrophobicContact CG1-CG 4.27Å; V207-F221 WeakPolarHBondContact CA-O 3.27Å; V207-L229 HydrophobicContact CG1-CD1 4.11Å; V207-L229 HydrophobicContact CG2-CD1 3.87Å; V207-F246 HydrophobicContact CB-CE1 4.46Å; V207-F246 HydrophobicContact CB-CZ 4.36Å; V207-F246 HydrophobicContact CG1-CE1 4.11Å; V207-F246 HydrophobicContact CG1-CZ 3.94Å
208	V	98.7	Very high	97.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.8	169.6	61.6	0	0	0	0	110.2	V161 L170 L172 I189 V199 S200 L201 L220 F221 T223	V161-V208 HydrophobicContact CG1-CG2 4.33Å; V161-V208 HydrophobicContact CG2-CG2 4.14Å; L170-V208 HydrophobicContact CD1-CG1 4.27Å; L170-V208 HydrophobicContact CD1-CG2 4.05Å; L172-V208 HydrophobicContact CD2-CG1 4.33Å; I189-V208 HydrophobicContact CD1-CG1 4.14Å; V199-V208 HydrophobicContact CG2-CG2 3.78Å; S200-V208 CarbonylContact O-C 3.59Å; S200-V208 WeakPolarHBondContact O-CA 3.16Å; L201-V208 HydrophobicContact CD2-CB 3.79Å; L201-V208 HydrophobicContact CD2-CG2 4.16Å; V208-L220 CarbonylContact O-C 3.52Å; V208-L220 VanDerWaalsContact O-CA 3.28Å; V208-L220 WeakPolarHBondContact O-CA 3.47Å; V208-F221 HydrophobicContact CG1-CB 3.87Å; V208-F221 PolarHBondContact N-O 2.73Å; V208-F221 PolarHBondContact O-N 3.38Å; V208-T223 HydrophobicContact CB-CG2 4.11Å; V208-T223 HydrophobicContact CG1-CG2 4.18Å
209	A	98.8	Very high	97.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	141.9	168.1	0	0	0	0	0	110.3	V199 S200 I218 R219 L220 I244 F246 L253	V199-A209 WeakPolarHBondContact CA-O 3.37Å; S200-A209 PolarHBondContact N-O 3.39Å; S200-A209 PolarHBondContact O-N 2.67Å; A209-I218 HydrophobicContact CB-CG2 4.37Å; A209-R219 CarbonylContact C-O 3.56Å; A209-R219 WeakPolarHBondContact CA-O 3.34Å; A209-L220 HydrophobicContact CB-CD1 4.23Å; A209-L220 HydrophobicContact CB-CG 4.06Å; A209-I244 HydrophobicContact CB-CG2 3.9Å; A209-F246 HydrophobicContact CB-CE2 3.72Å; A209-F246 HydrophobicContact CB-CZ 3.62Å; A209-L253 HydrophobicContact CB-CD1 3.71Å
210	S	98.7	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.7	174.9	61.2	0	0	0	0	112.6	H192 C198 I218 R219	H192-S210 PolarHBondContact CE1-O 3Å; H192-S210 PolarHBondContact NE2-O 3Å; H192-S210 VanDerWaalsContact NE2-O 3.11Å; H192-S210 PolarHBondContact NE2-OG 3.44Å; C198-S210 VanDerWaalsContact O-CA 3.31Å; C198-S210 WeakPolarHBondContact O-CA 3.13Å; S210-I218 WeakPolarHBondContact O-CA 3.31Å; S210-R219 PolarHBondContact N-O 2.96Å; S210-R219 PolarHBondContact O-N 3.34Å
211	A	98.5	Very high	97.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.5	168.3	0	0	0	0	0	109.9	A197 C198 I218 L241 I244	A197-A211 PolarHBondContact N-O 2.98Å; C198-A211 HydrophobicContact CB-CB 4.43Å; C198-A211 PolarHBondContact N-O 2.9Å; C198-A211 VanDerWaalsContact N-O 3.14Å; C198-A211 PolarHBondContact O-N 2.73Å; A211-I218 HydrophobicContact CB-CG1 4.36Å; A211-L241 HydrophobicContact CB-CD1 4.37Å; A211-L241 HydrophobicContact CB-CD2 3.69Å; A211-I244 HydrophobicContact CB-CD1 3.97Å
212	S	97.9	Very high	97.7	Very high	8 Å²	8	27.6 Å²	27.6	6%	0.056	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	175.1	174.8	62.9	0	0	0	0	112	S194 D195 A197 K214 G215	S194-S212 VanDerWaalsContact OG-CB 3.27Å; S194-S212 WeakPolarHBondContact OG-CB 3.15Å; S194-S212 PolarHBondContact OG-OG 2.87Å; D195-S212 CarbonylContact O-C 3.55Å; D195-S212 WeakPolarHBondContact O-CA 3.38Å; D195-S212 VanDerWaalsContact O-CB 3.28Å; D195-S212 WeakPolarHBondContact O-CB 3.23Å; A197-S212 VanDerWaalsContact CB-C 3.49Å; S212-K214 PolarHBondContact O-N 2.86Å; S212-K214 VanDerWaalsContact O-N 3.09Å; S212-G215 WeakPolarHBondContact O-CA 3.39Å; S212-G215 PolarHBondContact O-N 2.93Å
213	Q	96.8	Very high	97.6	Very high	121 Å²	121	27.7 Å²	27.7	57%	0.565	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-23.8	173.1	-72.7	178.9	-8.8	0	0	114	D195 A197 G215	D195-Q213 HydrophobicContact CB-CG 4.12Å; D195-Q213 PolarHBondContact O-N 2.77Å; A197-Q213 HydrophobicContact CB-CG 4.27Å; Q213-G215 VanDerWaalsContact C-N 3.32Å
214	K	97.3	Very high	97.6	Very high	111 Å²	111	33.1 Å²	33.1	48%	0.483	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.1	172.1	-68.9	-174.4	-179.9	-176	0	112.1	S212 T216 P238 A239	S212-K214 PolarHBondContact O-N 2.86Å; S212-K214 VanDerWaalsContact O-N 3.09Å; K214-T216 PolarHBondContact O-N 3.2Å; K214-P238 WeakPolarHBondContact O-CA 3.4Å; K214-P238 WeakPolarHBondContact O-CB 3.4Å; K214-A239 PolarHBondContact O-N 2.8Å
215	G	96.9	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.			trans	55.4	16	175.9	0	0	0	0	0	117.3	S212 Q213 R234 A239	S212-G215 WeakPolarHBondContact O-CA 3.39Å; S212-G215 PolarHBondContact O-N 2.93Å; Q213-G215 VanDerWaalsContact C-N 3.32Å; G215-R234 PolarHBondContact O-NE 2.73Å; G215-A239 WeakPolarHBondContact CA-O 3.42Å
216	T	96.8	Very high	97.5	Very high	26 Å²	26	38 Å²	38	16%	0.16	19%	0.19	C	C	.	.	S	Bend	trans	-80.8	-27.8	173.2	52.4	0	0	0	0	112	K214 R234 T236	K214-T216 PolarHBondContact O-N 3.2Å; T216-R234 PolarHBondContact O-N 2.93Å; T216-T236 WeakPolarHBondContact CG2-O 3.21Å
217	L	97.4	Very high	97.4	Very high	21 Å²	21	41.3 Å²	41.3	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	140.6	-175.4	-62	175.1	0	0	0	111.3	E231 L232 R233	L217-E231 HydrophobicContact CB-CG 4.5Å; L217-E231 HydrophobicContact CD1-CG 4.28Å; L217-E231 WeakPolarHBondContact CD1-OE1 3.19Å; L217-E231 HydrophobicContact CD2-CG 4.07Å; L217-L232 CarbonylContact C-O 3.6Å; L217-L232 WeakPolarHBondContact CA-O 3.38Å; L217-R233 HydrophobicContact CD2-CB 4.15Å; L217-R233 HydrophobicContact CD2-CG 4.36Å
218	I	98.5	Very high	97.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.4	167	-52.9	173.4	0	0	0	106.6	A209 S210 A211 L220 L232 L241 I244 L253 A255 F265	A209-I218 HydrophobicContact CB-CG2 4.37Å; S210-I218 WeakPolarHBondContact O-CA 3.31Å; A211-I218 HydrophobicContact CB-CG1 4.36Å; I218-L220 HydrophobicContact CG2-CD1 4.07Å; I218-L232 HydrophobicContact CB-CB 4.25Å; I218-L232 PolarHBondContact N-O 2.81Å; I218-L232 PolarHBondContact O-N 3.41Å; I218-L241 HydrophobicContact CD1-CD2 3.97Å; I218-L241 HydrophobicContact CG1-CD2 4.04Å; I218-I244 HydrophobicContact CD1-CD1 4.47Å; I218-I244 HydrophobicContact CD1-CG1 4.45Å; I218-I244 HydrophobicContact CG1-CD1 4.44Å; I218-I244 HydrophobicContact CG2-CD1 3.92Å; I218-L253 HydrophobicContact CD1-CD2 4.12Å; I218-A255 HydrophobicContact CD1-CB 3.49Å; I218-A255 VanDerWaalsContact CD1-CB 3.49Å; I218-F265 HydrophobicContact CD1-CE2 4.01Å; I218-F265 HydrophobicContact CD1-CZ 4.49Å
219	R	98.3	Very high	97.2	Very high	39 Å²	39	49.7 Å²	49.7	15%	0.147	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	133.8	-179.3	-70.8	179.2	176.3	124	6.7	110.5	A191 H192 A209 S210 F221 K228 E231	A191-R219 WeakPolarHBondContact O-CD 3.44Å; A191-R219 PolarHBondContact O-NH1 2.8Å; H192-R219 PolarHBondContact ND1-NH1 2.88Å; A209-R219 CarbonylContact C-O 3.56Å; A209-R219 WeakPolarHBondContact CA-O 3.34Å; S210-R219 PolarHBondContact N-O 2.96Å; S210-R219 PolarHBondContact O-N 3.34Å; R219-F221 HydrophobicContact CB-CD2 4.34Å; R219-F221 HydrophobicContact CB-CE2 3.44Å; R219-F221 VanDerWaalsContact CB-CE2 3.44Å; R219-F221 HydrophobicContact CB-CZ 3.85Å; R219-K228 HydrophobicContact CG-CD 4.25Å; R219-E231 HydrophobicContact CG-CB 4.45Å; R219-E231 HydrophobicContact CG-CG 4.04Å; R219-E231 IonicContact CZ-OE2 3.58Å; R219-E231 IonicContact NE-OE2 2.79Å; R219-E231 PolarHBondContact NE-OE2 2.84Å; R219-E231 IonicContact NH2-OE2 3.87Å; R219-E231 PolarHBondContact NH2-OE2 2.76Å
220	L	98.6	Very high	96.9	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	135.5	177.8	-74.2	70.6	0	0	0	109	V207 V208 A209 I218 K228 L229 V230 L232 F246 L253 L267	V207-L220 HydrophobicContact CG1-CB 4.02Å; V207-L220 HydrophobicContact CG1-CD2 4.11Å; V207-L220 HydrophobicContact CG1-CG 4.27Å; V208-L220 CarbonylContact O-C 3.52Å; V208-L220 VanDerWaalsContact O-CA 3.28Å; V208-L220 WeakPolarHBondContact O-CA 3.47Å; A209-L220 HydrophobicContact CB-CD1 4.23Å; A209-L220 HydrophobicContact CB-CG 4.06Å; I218-L220 HydrophobicContact CG2-CD1 4.07Å; L220-K228 CarbonylContact O-C 3.54Å; L220-L229 PolarHBondContact O-N 2.81Å; L220-V230 HydrophobicContact CB-CG1 3.65Å; L220-V230 HydrophobicContact CD1-CG1 3.95Å; L220-V230 HydrophobicContact CD2-CG1 3.75Å; L220-V230 HydrophobicContact CG-CG1 3.98Å; L220-V230 PolarHBondContact N-O 3.43Å; L220-V230 PolarHBondContact O-N 2.84Å; L220-L232 HydrophobicContact CD1-CD1 3.64Å; L220-L232 HydrophobicContact CD1-CG 4.15Å; L220-F246 HydrophobicContact CD2-CE1 3.86Å; L220-F246 HydrophobicContact CD2-CZ 4.19Å; L220-F246 HydrophobicContact CG-CZ 4.47Å; L220-L253 HydrophobicContact CD1-CD1 4.1Å; L220-L253 HydrophobicContact CD2-CD1 4.26Å; L220-L253 HydrophobicContact CG-CD1 4.43Å; L220-L267 HydrophobicContact CD2-CD1 3.71Å; L220-L267 HydrophobicContact CD2-CD2 3.59Å; L220-L267 HydrophobicContact CD2-CG 4.28Å
221	F	98.6	Very high	96.8	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.053	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	143.2	179.5	-58.2	-98.7	0	0	0	110	I189 A191 V207 V208 R219 E227 K228	I189-F221 HydrophobicContact CD1-CB 3.87Å; I189-F221 HydrophobicContact CD1-CG 4.35Å; I189-F221 HydrophobicContact CG2-CB 4.37Å; I189-F221 HydrophobicContact CG2-CD1 3.47Å; I189-F221 VanDerWaalsContact CG2-CD1 3.47Å; I189-F221 HydrophobicContact CG2-CD2 4.13Å; I189-F221 HydrophobicContact CG2-CE1 3.65Å; I189-F221 HydrophobicContact CG2-CE2 4.29Å; I189-F221 HydrophobicContact CG2-CG 3.74Å; I189-F221 HydrophobicContact CG2-CZ 4.08Å; A191-F221 HydrophobicContact CB-CE2 3.61Å; A191-F221 HydrophobicContact CB-CZ 3.8Å; V207-F221 WeakPolarHBondContact CA-O 3.27Å; V208-F221 HydrophobicContact CG1-CB 3.87Å; V208-F221 PolarHBondContact N-O 2.73Å; V208-F221 PolarHBondContact O-N 3.38Å; R219-F221 HydrophobicContact CB-CD2 4.34Å; R219-F221 HydrophobicContact CB-CE2 3.44Å; R219-F221 VanDerWaalsContact CB-CE2 3.44Å; R219-F221 HydrophobicContact CB-CZ 3.85Å; F221-E227 CarbonylContact C-O 3.49Å; F221-E227 VanDerWaalsContact CA-O 3.24Å; F221-E227 WeakPolarHBondContact CA-O 3.26Å; F221-K228 HydrophobicContact CD1-CB 3.81Å; F221-K228 HydrophobicContact CD1-CG 4.24Å; F221-K228 HydrophobicContact CE1-CB 3.6Å; F221-K228 HydrophobicContact CE1-CD 4.31Å; F221-K228 HydrophobicContact CE1-CG 3.84Å; F221-K228 HydrophobicContact CZ-CB 4.37Å; F221-K228 HydrophobicContact CZ-CD 4.32Å; F221-K228 HydrophobicContact CZ-CG 4.12Å
222	D	97.8	Very high	96.7	Very high	36 Å²	36	51.6 Å²	51.6	19%	0.193	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	130.3	168	179.2	-95.3	0	0	0	109.2	Q224 S225 K226 E227 L229	D222-Q224 VanDerWaalsContact C-N 3.26Å; D222-Q224 PolarHBondContact O-N 2.77Å; D222-Q224 WeakPolarHBondContact OD1-CA 3.44Å; D222-Q224 WeakPolarHBondContact OD1-CB 3.36Å; D222-Q224 PolarHBondContact OD1-N 3.23Å; D222-S225 VanDerWaalsContact CB-OG 3.27Å; D222-S225 WeakPolarHBondContact CB-OG 3.43Å; D222-S225 VanDerWaalsContact CG-OG 3.31Å; D222-S225 WeakPolarHBondContact OD1-CB 3.3Å; D222-S225 PolarHBondContact OD1-N 2.77Å; D222-S225 PolarHBondContact OD1-OG 3.05Å; D222-K226 WeakPolarHBondContact O-CA 3.39Å; D222-K226 PolarHBondContact O-N 2.84Å; D222-E227 PolarHBondContact N-O 3.32Å; D222-L229 HydrophobicContact CB-CD1 3.97Å; D222-L229 HydrophobicContact CB-CD2 3.97Å; D222-L229 HydrophobicContact CB-CG 3.99Å
223	T	96.9	Very high	96.6	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-10.6	-174.1	59	0	0	0	0	113.2	K157 L159 L172 F187 L201 G205 T206 V208	K157-T223 PolarHBondContact NZ-OG1 2.86Å; L159-T223 HydrophobicContact CD2-CG2 3.75Å; L172-T223 HydrophobicContact CD2-CG2 3.91Å; F187-T223 WeakPolarHBondContact CE2-O 3.28Å; F187-T223 WeakPolarHBondContact CZ-O 3.14Å; L201-T223 HydrophobicContact CD2-CG2 4Å; G205-T223 PolarHBondContact O-OG1 3.44Å; T206-T223 VanDerWaalsContact C-OG1 3.23Å; T206-T223 WeakPolarHBondContact CA-OG1 3.33Å; T206-T223 WeakPolarHBondContact O-CB 3.18Å; T206-T223 WeakPolarHBondContact O-CG2 3.48Å; T206-T223 PolarHBondContact O-N 2.79Å; T206-T223 PolarHBondContact O-OG1 3.21Å; V208-T223 HydrophobicContact CB-CG2 4.11Å; V208-T223 HydrophobicContact CG1-CG2 4.18Å
224	Q	93.9	Very high	96.5	Very high	167 Å²	167	47.3 Å²	47.3	78%	0.78	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-56.4	-180	-174.4	169.2	16.6	0	0	111.3	D222	D222-Q224 VanDerWaalsContact C-N 3.26Å; D222-Q224 PolarHBondContact O-N 2.77Å; D222-Q224 WeakPolarHBondContact OD1-CA 3.44Å; D222-Q224 WeakPolarHBondContact OD1-CB 3.36Å; D222-Q224 PolarHBondContact OD1-N 3.23Å
225	S	95.5	Very high	96.3	Very high	61 Å²	61	42.2 Å²	42.2	43%	0.427	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-22.1	178.5	63.8	0	0	0	0	113.4	D222 E227	D222-S225 VanDerWaalsContact CB-OG 3.27Å; D222-S225 WeakPolarHBondContact CB-OG 3.43Å; D222-S225 VanDerWaalsContact CG-OG 3.31Å; D222-S225 WeakPolarHBondContact OD1-CB 3.3Å; D222-S225 PolarHBondContact OD1-N 2.77Å; D222-S225 PolarHBondContact OD1-OG 3.05Å; S225-E227 PolarHBondContact O-N 3.22Å; S225-E227 PolarHBondContact OG-N 3.49Å
226	K	95.8	Very high	96	Very high	102 Å²	102	46.3 Å²	46.3	44%	0.443	23%	0.232	S	C	.	.			trans	69.8	8.1	-176.4	-49.4	162.7	-167.6	172.1	0	113.5	F187 I189 D222	F187-K226 HydrophobicContact CD2-CD 3.93Å; F187-K226 HydrophobicContact CD2-CG 3.83Å; F187-K226 HydrophobicContact CE2-CG 3.99Å; I189-K226 HydrophobicContact CD1-CB 4.43Å; I189-K226 HydrophobicContact CG1-CB 4.14Å; I189-K226 HydrophobicContact CG1-CG 4.38Å; D222-K226 WeakPolarHBondContact O-CA 3.39Å; D222-K226 PolarHBondContact O-N 2.84Å
227	E	96.5	Very high	95.8	Very high	132 Å²	132	50.2 Å²	50.2	62%	0.617	25%	0.251	S	S	*	.			trans	-75.5	144.2	-179.4	-65.1	-170.2	160	0	0	111.3	F221 D222 S225 L229	F221-E227 CarbonylContact C-O 3.49Å; F221-E227 VanDerWaalsContact CA-O 3.24Å; F221-E227 WeakPolarHBondContact CA-O 3.26Å; D222-E227 PolarHBondContact N-O 3.32Å; S225-E227 PolarHBondContact O-N 3.22Å; S225-E227 PolarHBondContact OG-N 3.49Å; E227-L229 PolarHBondContact O-N 2.85Å
228	K	96.3	Very high	95.7	Very high	103 Å²	103	53.2 Å²	53.2	45%	0.448	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	113.8	172.3	-171.3	177.7	70.7	172.7	0	108.5	R219 L220 F221 E231	R219-K228 HydrophobicContact CG-CD 4.25Å; L220-K228 CarbonylContact O-C 3.54Å; F221-K228 HydrophobicContact CD1-CB 3.81Å; F221-K228 HydrophobicContact CD1-CG 4.24Å; F221-K228 HydrophobicContact CE1-CB 3.6Å; F221-K228 HydrophobicContact CE1-CD 4.31Å; F221-K228 HydrophobicContact CE1-CG 3.84Å; F221-K228 HydrophobicContact CZ-CB 4.37Å; F221-K228 HydrophobicContact CZ-CD 4.32Å; F221-K228 HydrophobicContact CZ-CG 4.12Å; K228-E231 IonicContact NZ-OE2 3.46Å; K228-E231 PolarHBondContact NZ-OE2 2.84Å
229	L	95.3	Very high	95.6	Very high	95 Å²	95	53.4 Å²	53.4	50%	0.497	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-49.8	-179.4	-64.4	177.4	0	0	0	111.8	V207 L220 D222 E227	V207-L229 HydrophobicContact CG1-CD1 4.11Å; V207-L229 HydrophobicContact CG2-CD1 3.87Å; L220-L229 PolarHBondContact O-N 2.81Å; D222-L229 HydrophobicContact CB-CD1 3.97Å; D222-L229 HydrophobicContact CB-CD2 3.97Å; D222-L229 HydrophobicContact CB-CG 3.99Å; E227-L229 PolarHBondContact O-N 2.85Å
230	V	93.7	Very high	95.4	Very high	20 Å²	20	54.2 Å²	54.2	12%	0.121	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150	-176.6	62.4	0	0	0	0	111.5	L220 L232	L220-V230 HydrophobicContact CB-CG1 3.65Å; L220-V230 HydrophobicContact CD1-CG1 3.95Å; L220-V230 HydrophobicContact CD2-CG1 3.75Å; L220-V230 HydrophobicContact CG-CG1 3.98Å; L220-V230 PolarHBondContact N-O 3.43Å; L220-V230 PolarHBondContact O-N 2.84Å; V230-L232 HydrophobicContact CG1-CD2 4.49Å; V230-L232 HydrophobicContact CG2-CD2 3.73Å; V230-L232 HydrophobicContact CG2-CG 4.31Å
231	E	94.9	Very high	95.4	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.098	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.7	172.9	-174.9	169.2	115.3	0	0	109.2	L217 R219 K228 Q295	L217-E231 HydrophobicContact CB-CG 4.5Å; L217-E231 HydrophobicContact CD1-CG 4.28Å; L217-E231 WeakPolarHBondContact CD1-OE1 3.19Å; L217-E231 HydrophobicContact CD2-CG 4.07Å; R219-E231 HydrophobicContact CG-CB 4.45Å; R219-E231 HydrophobicContact CG-CG 4.04Å; R219-E231 IonicContact CZ-OE2 3.58Å; R219-E231 IonicContact NE-OE2 2.79Å; R219-E231 PolarHBondContact NE-OE2 2.84Å; R219-E231 IonicContact NH2-OE2 3.87Å; R219-E231 PolarHBondContact NH2-OE2 2.76Å; K228-E231 IonicContact NZ-OE2 3.46Å; K228-E231 PolarHBondContact NZ-OE2 2.84Å; E231-Q295 PolarHBondContact O-N 3.5Å
232	L	96.9	Very high	95.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.2	-177.3	-54.3	172.4	0	0	0	108.9	L217 I218 L220 V230 L253 F265 L267 Q295	L217-L232 CarbonylContact C-O 3.6Å; L217-L232 WeakPolarHBondContact CA-O 3.38Å; I218-L232 HydrophobicContact CB-CB 4.25Å; I218-L232 PolarHBondContact N-O 2.81Å; I218-L232 PolarHBondContact O-N 3.41Å; L220-L232 HydrophobicContact CD1-CD1 3.64Å; L220-L232 HydrophobicContact CD1-CG 4.15Å; V230-L232 HydrophobicContact CG1-CD2 4.49Å; V230-L232 HydrophobicContact CG2-CD2 3.73Å; V230-L232 HydrophobicContact CG2-CG 4.31Å; L232-L253 HydrophobicContact CD1-CD2 4.22Å; L232-F265 HydrophobicContact CB-CD1 3.82Å; L232-F265 HydrophobicContact CB-CE1 3.85Å; L232-F265 HydrophobicContact CB-CG 4.28Å; L232-F265 HydrophobicContact CB-CZ 4.33Å; L232-F265 HydrophobicContact CD1-CB 3.76Å; L232-F265 HydrophobicContact CD1-CD1 4.1Å; L232-F265 HydrophobicContact CD1-CD2 4.1Å; L232-F265 HydrophobicContact CD1-CG 3.73Å; L232-F265 HydrophobicContact CD2-CB 4.14Å; L232-F265 HydrophobicContact CD2-CD1 3.94Å; L232-F265 HydrophobicContact CD2-CG 4.25Å; L232-F265 HydrophobicContact CG-CB 4.49Å; L232-F265 HydrophobicContact CG-CD1 4.17Å; L232-F265 HydrophobicContact CG-CG 4.31Å; L232-L267 HydrophobicContact CD1-CD2 3.95Å; L232-Q295 CarbonylContact C-O 3.57Å; L232-Q295 WeakPolarHBondContact CA-O 3.5Å; L232-Q295 HydrophobicContact CD2-CB 4.15Å
233	R	96.8	Very high	95.2	Very high	22 Å²	22	56.7 Å²	56.7	8%	0.083	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	110.8	175.3	-175	169.4	-62.4	-78.9	-4.5	109.5	L217 S294 Q295 W296	L217-R233 HydrophobicContact CD2-CB 4.15Å; L217-R233 HydrophobicContact CD2-CG 4.36Å; R233-S294 PolarHBondContact NE-OG 2.86Å; R233-S294 PolarHBondContact NH2-OG 3.22Å; R233-Q295 PolarHBondContact N-O 3.14Å; R233-W296 HydrophobicContact CB-CD2 4.28Å; R233-W296 HydrophobicContact CB-CG 4.43Å; R233-W296 HydrophobicContact CG-CD2 4.12Å; R233-W296 HydrophobicContact CG-CE3 4.28Å; R233-W296 HydrophobicContact CG-CH2 4.19Å; R233-W296 HydrophobicContact CG-CZ2 4.02Å; R233-W296 HydrophobicContact CG-CZ3 4.33Å
234	R	94.8	Very high	95.3	Very high	16 Å²	16	56.7 Å²	56.7	6%	0.06	29%	0.292	C	S	.	.			trans	-70.1	-40.6	170.9	-177.7	-129.9	43.3	73.9	6.5	110.5	G215 T216 D237 H263 F265	G215-R234 PolarHBondContact O-NE 2.73Å; T216-R234 PolarHBondContact O-N 2.93Å; R234-D237 PolarHBondContact NH2-O 2.82Å; R234-H263 VanDerWaalsContact CG-CD2 3.43Å; R234-H263 WeakPolarHBondContact CG-CD2 3.38Å; R234-H263 PolarHBondContact O-CE1 3.05Å; R234-H263 PolarHBondContact O-NE2 2.74Å; R234-F265 HydrophobicContact CB-CZ 4.4Å
235	G	92.4	Very high	95.5	Very high	5 Å²	5	50.2 Å²	50.2	5%	0.052	26%	0.263	C	S	.	.			trans	176.9	-176.2	174.3	0	0	0	0	0	113.5
236	T	90.2	Very high	95.6	Very high	85 Å²	85	47.6 Å²	47.6	52%	0.521	24%	0.244	S	C	.	.	S	Bend	trans	-77.5	-45.8	-179	-50	0	0	0	0	111.8	T216	T216-T236 WeakPolarHBondContact CG2-O 3.21Å
237	D	92.4	Very high	95.6	Very high	108 Å²	108	43 Å²	43	58%	0.578	22%	0.224	S	C	*	.	S	Bend	trans	-82	144.9	-174.7	-56.1	-43.1	0	0	0	112.2	R234	R234-D237 PolarHBondContact NH2-O 2.82Å
238	P	96.3	Very high	95.5	Very high	85 Å²	85	40.1 Å²	40.1	55%	0.552	21%	0.211	S	C	*	.			trans	-56.5	144.4	172.6	-25.1	34.9	0	0	0	112.9	K214 K259	K214-P238 WeakPolarHBondContact O-CA 3.4Å; K214-P238 WeakPolarHBondContact O-CB 3.4Å; P238-K259 WeakPolarHBondContact O-CE 3.09Å; P238-K259 PolarHBondContact O-NZ 2.9Å
239	A	95.4	Very high	95.3	Very high	4 Å²	4	39 Å²	39	3%	0.033	21%	0.21	C	C	.	.			trans	-147.2	140.6	-180	0	0	0	0	0	110.9	K214 G215 L241 D258 K259	K214-A239 PolarHBondContact O-N 2.8Å; G215-A239 WeakPolarHBondContact CA-O 3.42Å; A239-L241 PolarHBondContact O-N 2.83Å; A239-D258 WeakPolarHBondContact CA-OD1 3.34Å; A239-D258 WeakPolarHBondContact CB-OD1 3.5Å; A239-K259 HydrophobicContact CB-CD 4.45Å; A239-K259 HydrophobicContact CB-CG 3.67Å
240	T	95.3	Very high	95.3	Very high	55 Å²	55	35.5 Å²	35.5	34%	0.337	19%	0.193	S	C	.	.			trans	-80.3	112	170.6	-51.8	0	0	0	0	108.7	S257 D258	T240-S257 CarbonylContact O-C 3.59Å; T240-S257 WeakPolarHBondContact O-CA 3.18Å; T240-S257 WeakPolarHBondContact O-CB 3.02Å; T240-D258 WeakPolarHBondContact CB-OD2 3.41Å; T240-D258 PolarHBondContact N-OD1 2.96Å; T240-D258 PolarHBondContact N-OD2 3.22Å; T240-D258 PolarHBondContact O-N 3.49Å; T240-D258 PolarHBondContact OG1-OD2 3.1Å
241	L	96.9	Very high	95.4	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.5	173.6	-81.5	75.2	0	0	0	110.2	C198 A211 I218 A239 I244 A255 S256	C198-L241 HydrophobicContact CB-CB 4.27Å; A211-L241 HydrophobicContact CB-CD1 4.37Å; A211-L241 HydrophobicContact CB-CD2 3.69Å; I218-L241 HydrophobicContact CD1-CD2 3.97Å; I218-L241 HydrophobicContact CG1-CD2 4.04Å; A239-L241 PolarHBondContact O-N 2.83Å; L241-I244 HydrophobicContact CD2-CD1 3.86Å; L241-I244 HydrophobicContact CD2-CG1 3.8Å; L241-A255 HydrophobicContact CD2-CB 4.18Å; L241-S256 WeakPolarHBondContact CA-O 3.35Å
242	Y	96.7	Very high	95.5	Very high	83 Å²	83	35.2 Å²	35.2	33%	0.325	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-42.8	174.3	-59.6	-51.5	0	0	0	111.3	S256 S257 D258 A308 C309	Y242-S256 PolarHBondContact N-O 3.22Å; Y242-S257 WeakPolarHBondContact CE2-O 3.48Å; Y242-D258 HydrophobicContact CE2-CB 4.33Å; Y242-D258 VanDerWaalsContact CE2-N 3.32Å; Y242-D258 WeakPolarHBondContact OH-CA 3.26Å; Y242-D258 WeakPolarHBondContact OH-CB 3.44Å; Y242-A308 HydrophobicContact CD1-CB 3.93Å; Y242-A308 HydrophobicContact CD2-CB 4.14Å; Y242-A308 HydrophobicContact CE1-CB 3.74Å; Y242-A308 VanDerWaalsContact CE2-CA 3.5Å; Y242-A308 HydrophobicContact CE2-CB 3.95Å; Y242-A308 HydrophobicContact CG-CB 4.13Å; Y242-C309 WeakPolarHBondContact CB-O 3.44Å
243	C	96.8	Very high	95.5	Very high	15 Å²	15	35.2 Å²	35.2	10%	0.101	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164.3	173.7	75.4	0	0	0	0	112.9	A255 S256 I310 C311	C243-A255 WeakPolarHBondContact O-CA 2.83Å; C243-S256 PolarHBondContact N-OG 3.42Å; C243-S256 PolarHBondContact O-N 2.98Å; C243-S256 PolarHBondContact SG-OG 2.86Å; C243-I310 HydrophobicContact CB-CG2 4.49Å; C243-C311 PolarHBondContact SG-N 2.92Å; C243-C311 PolarHBondContact SG-SG 2.92Å
244	I	98.3	Very high	95.6	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	133.4	169	-65.2	165.7	0	0	0	105.9	C198 S200 A209 A211 I218 L241 L253 C254 A255	C198-I244 HydrophobicContact CB-CD1 3.87Å; C198-I244 HydrophobicContact CB-CG1 4.34Å; S200-I244 VanDerWaalsContact CB-O 3.28Å; S200-I244 WeakPolarHBondContact CB-O 3.26Å; S200-I244 PolarHBondContact OG-O 3.38Å; A209-I244 HydrophobicContact CB-CG2 3.9Å; A211-I244 HydrophobicContact CB-CD1 3.97Å; I218-I244 HydrophobicContact CD1-CD1 4.47Å; I218-I244 HydrophobicContact CD1-CG1 4.45Å; I218-I244 HydrophobicContact CG1-CD1 4.44Å; I218-I244 HydrophobicContact CG2-CD1 3.92Å; L241-I244 HydrophobicContact CD2-CD1 3.86Å; L241-I244 HydrophobicContact CD2-CG1 3.8Å; I244-L253 HydrophobicContact CG2-CD1 3.62Å; I244-L253 HydrophobicContact CG2-CD2 3.9Å; I244-L253 HydrophobicContact CG2-CG 3.76Å; I244-C254 WeakPolarHBondContact CA-O 2.91Å; I244-A255 HydrophobicContact CG1-CB 4.18Å
245	N	98.3	Very high	95.8	Very high	32 Å²	32	33.5 Å²	33.5	17%	0.171	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	143.4	174.6	-86	-38.7	0	0	0	111.1	L253 C254 C311	N245-L253 CarbonylContact O-C 3.56Å; N245-L253 WeakPolarHBondContact O-CA 3.37Å; N245-C254 PolarHBondContact N-O 3.03Å; N245-C254 PolarHBondContact O-N 2.86Å; N245-C311 PolarHBondContact ND2-O 2.59Å
246	F	98.2	Very high	96.1	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	151.1	169.8	-68.6	-94.5	0	0	0	110.4	Q18 N202 V207 A209 L220 L253 L267	Q18-F246 PolarHBondContact NE2-O 3.35Å; N202-F246 HydrophobicContact CB-CB 4.13Å; N202-F246 HydrophobicContact CB-CD1 3.85Å; N202-F246 HydrophobicContact CB-CD2 3.81Å; N202-F246 HydrophobicContact CB-CE1 4.14Å; N202-F246 HydrophobicContact CB-CE2 4.11Å; N202-F246 HydrophobicContact CB-CG 3.66Å; N202-F246 HydrophobicContact CB-CZ 4.26Å; V207-F246 HydrophobicContact CB-CE1 4.46Å; V207-F246 HydrophobicContact CB-CZ 4.36Å; V207-F246 HydrophobicContact CG1-CE1 4.11Å; V207-F246 HydrophobicContact CG1-CZ 3.94Å; A209-F246 HydrophobicContact CB-CE2 3.72Å; A209-F246 HydrophobicContact CB-CZ 3.62Å; L220-F246 HydrophobicContact CD2-CE1 3.86Å; L220-F246 HydrophobicContact CD2-CZ 4.19Å; L220-F246 HydrophobicContact CG-CZ 4.47Å; F246-L253 HydrophobicContact CD1-CD1 4.44Å; F246-L253 HydrophobicContact CE1-CD1 4.11Å; F246-L253 HydrophobicContact CE2-CD1 4.48Å; F246-L253 HydrophobicContact CZ-CD1 4.13Å; F246-L267 HydrophobicContact CD1-CD1 3.59Å; F246-L267 HydrophobicContact CE1-CD1 3.56Å
247	S	96.4	Very high	96.4	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.035	16%	0.159	C	C	.	.			trans	-65.8	155	160.9	65.6	0	0	0	0	110	D249 S250 S251 F252	S247-D249 WeakPolarHBondContact CB-OD1 3.16Å; S247-D249 PolarHBondContact O-N 3.45Å; S247-D249 VanDerWaalsContact O-N 3.14Å; S247-D249 PolarHBondContact OG-OD1 3.47Å; S247-S250 WeakPolarHBondContact O-CA 3.42Å; S247-S250 PolarHBondContact O-N 2.63Å; S247-S251 PolarHBondContact OG-N 2.82Å; S247-F252 PolarHBondContact N-O 3.28Å; S247-F252 PolarHBondContact OG-N 3.23Å; S247-F252 PolarHBondContact OG-O 2.97Å
248	H	92.4	Very high	96.5	Very high	71 Å²	71	26.6 Å²	26.6	33%	0.329	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.2	-177.2	-62.8	72.2	0	0	0	113.4	D17 S250	D17-H248 PolarHBondContact O-NE2 2.84Å; H248-S250 VanDerWaalsContact C-N 3.31Å
249	D	92.7	Very high	96.4	Very high	81 Å²	81	27.3 Å²	27.3	43%	0.433	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.8	178.7	72.1	-16.5	0	0	0	113.8	S247 S251 K268	S247-D249 WeakPolarHBondContact CB-OD1 3.16Å; S247-D249 PolarHBondContact O-N 3.45Å; S247-D249 VanDerWaalsContact O-N 3.14Å; S247-D249 PolarHBondContact OG-OD1 3.47Å; D249-S251 PolarHBondContact O-N 2.8Å; D249-S251 VanDerWaalsContact OD1-CB 3.26Å; D249-S251 WeakPolarHBondContact OD1-CB 3.42Å; D249-S251 PolarHBondContact OD1-N 2.81Å; D249-S251 PolarHBondContact OD1-OG 3.01Å; D249-S251 VanDerWaalsContact OD2-CB 3.25Å; D249-S251 WeakPolarHBondContact OD2-CB 3.25Å; D249-S251 PolarHBondContact OD2-OG 3.25Å; D249-K268 WeakPolarHBondContact O-CE 3.24Å; D249-K268 PolarHBondContact O-NZ 3.09Å; D249-K268 IonicContact OD2-NZ 3.87Å
250	S	95.4	Very high	96.4	Very high	20 Å²	20	27.3 Å²	27.3	14%	0.14	14%	0.14	C	C	.	.	S	Bend	trans	56.8	20.5	-174.3	-51.6	0	0	0	0	114.7	N202 S247 H248	N202-S250 WeakPolarHBondContact CB-OG 3.4Å; N202-S250 PolarHBondContact ND2-OG 3.21Å; N202-S250 VanDerWaalsContact ND2-OG 3.13Å; S247-S250 WeakPolarHBondContact O-CA 3.42Å; S247-S250 PolarHBondContact O-N 2.63Å; H248-S250 VanDerWaalsContact C-N 3.31Å
251	S	95.1	Very high	96.4	Very high	15 Å²	15	26.1 Å²	26.1	11%	0.105	13%	0.132	C	C	.	.	S	Bend	trans	-76.5	-25.1	177	-62.4	0	0	0	0	113.1	S247 D249 L267 K268	S247-S251 PolarHBondContact OG-N 2.82Å; D249-S251 PolarHBondContact O-N 2.8Å; D249-S251 VanDerWaalsContact OD1-CB 3.26Å; D249-S251 WeakPolarHBondContact OD1-CB 3.42Å; D249-S251 PolarHBondContact OD1-N 2.81Å; D249-S251 PolarHBondContact OD1-OG 3.01Å; D249-S251 VanDerWaalsContact OD2-CB 3.25Å; D249-S251 WeakPolarHBondContact OD2-CB 3.25Å; D249-S251 PolarHBondContact OD2-OG 3.25Å; S251-L267 PolarHBondContact O-N 3.46Å; S251-K268 PolarHBondContact O-N 2.78Å; S251-K268 VanDerWaalsContact OG-CD 3.3Å; S251-K268 WeakPolarHBondContact OG-CD 3.2Å; S251-K268 WeakPolarHBondContact OG-CE 3.41Å; S251-K268 PolarHBondContact OG-NZ 2.8Å
252	F	97.4	Very high	96.4	Very high	21 Å²	21	25.9 Å²	25.9	9%	0.092	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	163	-177.6	-58.5	-83.3	0	0	0	112.1	S247 F265 A266 L298 F313 F338	S247-F252 PolarHBondContact N-O 3.28Å; S247-F252 PolarHBondContact OG-N 3.23Å; S247-F252 PolarHBondContact OG-O 2.97Å; F252-F265 CarbonylContact C-O 3.55Å; F252-F265 WeakPolarHBondContact CA-O 3.32Å; F252-A266 HydrophobicContact CD1-CB 4.07Å; F252-A266 HydrophobicContact CE1-CB 3.92Å; F252-L298 HydrophobicContact CE1-CD2 4.01Å; F252-F313 HydrophobicContact CB-CD1 4.5Å; F252-F313 HydrophobicContact CB-CE1 3.52Å; F252-F313 HydrophobicContact CB-CE2 4.25Å; F252-F313 HydrophobicContact CB-CZ 3.36Å; F252-F313 HydrophobicContact CG-CE1 4.28Å; F252-F338 AromaticContact CD1-CE2 3.91Å; F252-F338 HydrophobicContact CD1-CE2 3.91Å; F252-F338 HydrophobicContact CD1-CZ 4.07Å; F252-F338 HydrophobicContact CD2-CZ 4.18Å; F252-F338 AromaticContact CE1-CE2 3.77Å; F252-F338 HydrophobicContact CE1-CE2 3.77Å; F252-F338 HydrophobicContact CE1-CZ 4.27Å; F252-F338 HydrophobicContact CE2-CE2 4.46Å; F252-F338 HydrophobicContact CE2-CZ 4.36Å; F252-F338 HydrophobicContact CG-CE2 4.34Å; F252-F338 HydrophobicContact CG-CZ 4.04Å; F252-F338 HydrophobicContact CZ-CE2 4.06Å; F252-F338 HydrophobicContact CZ-CZ 4.41Å
253	L	98.5	Very high	96.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	135.2	171.6	177.4	151.8	0	0	0	109.8	A209 I218 L220 L232 I244 N245 F246 A255 I264 F265 L267	A209-L253 HydrophobicContact CB-CD1 3.71Å; I218-L253 HydrophobicContact CD1-CD2 4.12Å; L220-L253 HydrophobicContact CD1-CD1 4.1Å; L220-L253 HydrophobicContact CD2-CD1 4.26Å; L220-L253 HydrophobicContact CG-CD1 4.43Å; L232-L253 HydrophobicContact CD1-CD2 4.22Å; I244-L253 HydrophobicContact CG2-CD1 3.62Å; I244-L253 HydrophobicContact CG2-CD2 3.9Å; I244-L253 HydrophobicContact CG2-CG 3.76Å; N245-L253 CarbonylContact O-C 3.56Å; N245-L253 WeakPolarHBondContact O-CA 3.37Å; F246-L253 HydrophobicContact CD1-CD1 4.44Å; F246-L253 HydrophobicContact CE1-CD1 4.11Å; F246-L253 HydrophobicContact CE2-CD1 4.48Å; F246-L253 HydrophobicContact CZ-CD1 4.13Å; L253-A255 HydrophobicContact CD2-CB 4.47Å; L253-I264 WeakPolarHBondContact O-CA 3.48Å; L253-F265 HydrophobicContact CD2-CD2 3.78Å; L253-F265 HydrophobicContact CD2-CE2 4.33Å; L253-F265 PolarHBondContact N-O 3.07Å; L253-F265 PolarHBondContact O-N 3.45Å; L253-L267 HydrophobicContact CB-CD1 3.93Å; L253-L267 HydrophobicContact CB-CD2 4.15Å; L253-L267 HydrophobicContact CB-CG 4.15Å
254	C	98.6	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.3	173.1	63.5	0	0	0	0	110.8	I244 N245 V262 H263 F313 V324	I244-C254 WeakPolarHBondContact CA-O 2.91Å; N245-C254 PolarHBondContact N-O 3.03Å; N245-C254 PolarHBondContact O-N 2.86Å; C254-V262 HydrophobicContact CB-CG1 4.46Å; C254-H263 CarbonylContact C-O 3.59Å; C254-H263 WeakPolarHBondContact CA-O 3.39Å; C254-F313 HydrophobicContact CB-CE2 3.8Å; C254-F313 HydrophobicContact CB-CZ 3.86Å; C254-F313 VanDerWaalsContact SG-CE2 3.58Å; C254-V324 HydrophobicContact CB-CG1 4.14Å; C254-V324 HydrophobicContact CB-CG2 4.47Å
255	A	98.6	Very high	96.6	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.008	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	130.7	176.4	0	0	0	0	0	111.5	I218 L241 C243 I244 L253 V262 H263	I218-A255 HydrophobicContact CD1-CB 3.49Å; I218-A255 VanDerWaalsContact CD1-CB 3.49Å; L241-A255 HydrophobicContact CD2-CB 4.18Å; C243-A255 WeakPolarHBondContact O-CA 2.83Å; I244-A255 HydrophobicContact CG1-CB 4.18Å; L253-A255 HydrophobicContact CD2-CB 4.47Å; A255-V262 WeakPolarHBondContact O-CA 3.31Å; A255-H263 PolarHBondContact N-O 2.73Å; A255-H263 PolarHBondContact O-N 3.29Å
256	S	98	Very high	96.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	152.7	174.8	61.5	0	0	0	0	111.4	L241 Y242 C243 C309	L241-S256 WeakPolarHBondContact CA-O 3.35Å; Y242-S256 PolarHBondContact N-O 3.22Å; C243-S256 PolarHBondContact N-OG 3.42Å; C243-S256 PolarHBondContact O-N 2.98Å; C243-S256 PolarHBondContact SG-OG 2.86Å; S256-C309 WeakPolarHBondContact CB-O 3.35Å; S256-C309 VanDerWaalsContact CB-SG 3.53Å; S256-C309 PolarHBondContact OG-O 2.72Å
257	S	96.1	Very high	96.4	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	171.2	-180	66.9	0	0	0	0	113.6	T240 Y242 K259 G260 T261	T240-S257 CarbonylContact O-C 3.59Å; T240-S257 WeakPolarHBondContact O-CA 3.18Å; T240-S257 WeakPolarHBondContact O-CB 3.02Å; Y242-S257 WeakPolarHBondContact CE2-O 3.48Å; S257-K259 PolarHBondContact O-N 2.98Å; S257-K259 PolarHBondContact OG-N 3.04Å; S257-G260 PolarHBondContact O-N 3.44Å; S257-T261 PolarHBondContact N-O 3.36Å
258	D	95.3	Very high	96.2	Very high	52 Å²	52	27.7 Å²	27.7	28%	0.278	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-0.5	172.6	66.5	2.3	0	0	0	115.1	A239 T240 Y242 G260	A239-D258 WeakPolarHBondContact CA-OD1 3.34Å; A239-D258 WeakPolarHBondContact CB-OD1 3.5Å; T240-D258 WeakPolarHBondContact CB-OD2 3.41Å; T240-D258 PolarHBondContact N-OD1 2.96Å; T240-D258 PolarHBondContact N-OD2 3.22Å; T240-D258 PolarHBondContact O-N 3.49Å; T240-D258 PolarHBondContact OG1-OD2 3.1Å; Y242-D258 HydrophobicContact CE2-CB 4.33Å; Y242-D258 VanDerWaalsContact CE2-N 3.32Å; Y242-D258 WeakPolarHBondContact OH-CA 3.26Å; Y242-D258 WeakPolarHBondContact OH-CB 3.44Å; D258-G260 VanDerWaalsContact C-N 3.28Å
259	K	95.1	Very high	96.2	Very high	99 Å²	99	26.8 Å²	26.8	43%	0.43	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	6.6	172.9	-58.4	-59.9	177.6	-176.8	0	113.7	P238 A239 S257 T261	P238-K259 WeakPolarHBondContact O-CE 3.09Å; P238-K259 PolarHBondContact O-NZ 2.9Å; A239-K259 HydrophobicContact CB-CD 4.45Å; A239-K259 HydrophobicContact CB-CG 3.67Å; S257-K259 PolarHBondContact O-N 2.98Å; S257-K259 PolarHBondContact OG-N 3.04Å; K259-T261 PolarHBondContact O-N 3.14Å
260	G	94.6	Very high	96.2	Very high	5 Å²	5	24.9 Å²	24.9	5%	0.052	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	28.2	-177.4	0	0	0	0	0	113.2	S257 D258 T302 V303	S257-G260 PolarHBondContact O-N 3.44Å; D258-G260 VanDerWaalsContact C-N 3.28Å; G260-T302 CarbonylContact O-C 3.54Å; G260-T302 VanDerWaalsContact O-CA 3.25Å; G260-T302 WeakPolarHBondContact O-CA 3.29Å; G260-V303 WeakPolarHBondContact CA-O 3.41Å; G260-V303 PolarHBondContact O-N 2.81Å; G260-V303 VanDerWaalsContact O-O 3.09Å
261	T	94.9	Very high	95.9	Very high	30 Å²	30	33.1 Å²	33.1	18%	0.184	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.2	-177.9	47.3	0	0	0	0	110.8	S257 K259 F301 T302	S257-T261 PolarHBondContact N-O 3.36Å; K259-T261 PolarHBondContact O-N 3.14Å; T261-F301 WeakPolarHBondContact CA-O 3.48Å; T261-T302 HydrophobicContact CG2-CG2 4.13Å
262	V	98.1	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.1	168.7	-179.4	0	0	0	0	107.8	C254 A255 S300 F301 V303 C311 V324 A326	C254-V262 HydrophobicContact CB-CG1 4.46Å; A255-V262 WeakPolarHBondContact O-CA 3.31Å; V262-S300 WeakPolarHBondContact O-CA 3.46Å; V262-S300 WeakPolarHBondContact O-CB 3.43Å; V262-F301 HydrophobicContact CB-CD1 4.18Å; V262-F301 HydrophobicContact CB-CD2 4.28Å; V262-F301 HydrophobicContact CB-CE1 3.67Å; V262-F301 HydrophobicContact CB-CE2 3.79Å; V262-F301 HydrophobicContact CB-CG 4.47Å; V262-F301 HydrophobicContact CB-CZ 3.47Å; V262-F301 VanDerWaalsContact CB-CZ 3.47Å; V262-F301 HydrophobicContact CG1-CE1 3.68Å; V262-F301 HydrophobicContact CG1-CE2 4.45Å; V262-F301 HydrophobicContact CG1-CZ 3.65Å; V262-F301 HydrophobicContact CG2-CD2 4.47Å; V262-F301 HydrophobicContact CG2-CE1 4.44Å; V262-F301 HydrophobicContact CG2-CE2 3.74Å; V262-F301 HydrophobicContact CG2-CZ 3.74Å; V262-F301 PolarHBondContact N-O 3.18Å; V262-F301 PolarHBondContact O-N 3.15Å; V262-F301 VanDerWaalsContact O-N 3.09Å; V262-V303 HydrophobicContact CG2-CG1 4.19Å; V262-V303 HydrophobicContact CG2-CG2 4.44Å; V262-C311 HydrophobicContact CG1-CB 3.95Å; V262-C311 HydrophobicContact CG2-CB 4.38Å; V262-V324 HydrophobicContact CG1-CG1 4.1Å; V262-A326 HydrophobicContact CG2-CB 4.25Å
263	H	98.3	Very high	95.7	Very high	19 Å²	19	34.1 Å²	34.1	9%	0.088	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	141.4	178.4	-71.4	-93.9	0	0	0	110.7	R234 C254 A255 F265 S297	R234-H263 VanDerWaalsContact CG-CD2 3.43Å; R234-H263 WeakPolarHBondContact CG-CD2 3.38Å; R234-H263 PolarHBondContact O-CE1 3.05Å; R234-H263 PolarHBondContact O-NE2 2.74Å; C254-H263 CarbonylContact C-O 3.59Å; C254-H263 WeakPolarHBondContact CA-O 3.39Å; A255-H263 PolarHBondContact N-O 2.73Å; A255-H263 PolarHBondContact O-N 3.29Å; H263-F265 HydrophobicContact CB-CD2 4.42Å; H263-F265 HydrophobicContact CB-CE2 3.54Å; H263-F265 HydrophobicContact CB-CZ 3.77Å; H263-S297 PolarHBondContact ND1-OG 2.93Å
264	I	98.4	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.7	179.3	-51.6	171.4	0	0	0	108.5	L253 S297 L298 A299 F301 F313 V324 F338	L253-I264 WeakPolarHBondContact O-CA 3.48Å; I264-S297 CarbonylContact O-C 3.59Å; I264-S297 WeakPolarHBondContact O-CA 3.4Å; I264-S297 WeakPolarHBondContact O-CB 3.27Å; I264-L298 PolarHBondContact O-N 3.17Å; I264-A299 HydrophobicContact CB-CB 4.32Å; I264-A299 HydrophobicContact CD1-CB 4.23Å; I264-A299 PolarHBondContact N-O 3.04Å; I264-A299 PolarHBondContact O-N 3.2Å; I264-F301 HydrophobicContact CD1-CD1 4.34Å; I264-F301 HydrophobicContact CD1-CE1 4.26Å; I264-F313 HydrophobicContact CG2-CE1 4.29Å; I264-F313 HydrophobicContact CG2-CZ 4.39Å; I264-V324 HydrophobicContact CD1-CB 4.16Å; I264-V324 HydrophobicContact CD1-CG2 3.66Å; I264-V324 HydrophobicContact CG1-CG2 3.99Å; I264-F338 HydrophobicContact CD1-CB 4.22Å; I264-F338 HydrophobicContact CD1-CD1 3.73Å; I264-F338 HydrophobicContact CD1-CE1 4.23Å; I264-F338 HydrophobicContact CD1-CG 3.94Å; I264-F338 HydrophobicContact CG2-CD1 4.45Å; I264-F338 HydrophobicContact CG2-CD2 4.22Å; I264-F338 HydrophobicContact CG2-CE1 4.1Å; I264-F338 HydrophobicContact CG2-CE2 3.85Å; I264-F338 HydrophobicContact CG2-CG 4.5Å; I264-F338 HydrophobicContact CG2-CZ 3.78Å
265	F	98.3	Very high	94.7	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	135	-178.4	-55.8	-91.8	0	0	0	110.3	I218 L232 R234 F252 L253 H263 S297	I218-F265 HydrophobicContact CD1-CE2 4.01Å; I218-F265 HydrophobicContact CD1-CZ 4.49Å; L232-F265 HydrophobicContact CB-CD1 3.82Å; L232-F265 HydrophobicContact CB-CE1 3.85Å; L232-F265 HydrophobicContact CB-CG 4.28Å; L232-F265 HydrophobicContact CB-CZ 4.33Å; L232-F265 HydrophobicContact CD1-CB 3.76Å; L232-F265 HydrophobicContact CD1-CD1 4.1Å; L232-F265 HydrophobicContact CD1-CD2 4.1Å; L232-F265 HydrophobicContact CD1-CG 3.73Å; L232-F265 HydrophobicContact CD2-CB 4.14Å; L232-F265 HydrophobicContact CD2-CD1 3.94Å; L232-F265 HydrophobicContact CD2-CG 4.25Å; L232-F265 HydrophobicContact CG-CB 4.49Å; L232-F265 HydrophobicContact CG-CD1 4.17Å; L232-F265 HydrophobicContact CG-CG 4.31Å; R234-F265 HydrophobicContact CB-CZ 4.4Å; F252-F265 CarbonylContact C-O 3.55Å; F252-F265 WeakPolarHBondContact CA-O 3.32Å; L253-F265 HydrophobicContact CD2-CD2 3.78Å; L253-F265 HydrophobicContact CD2-CE2 4.33Å; L253-F265 PolarHBondContact N-O 3.07Å; L253-F265 PolarHBondContact O-N 3.45Å; H263-F265 HydrophobicContact CB-CD2 4.42Å; H263-F265 HydrophobicContact CB-CE2 3.54Å; H263-F265 HydrophobicContact CB-CZ 3.77Å; F265-S297 VanDerWaalsContact CE1-N 3.33Å
266	A	96.9	Very high	93.4	Very high	1 Å²	1	49 Å²	49	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	131.2	169.1	0	0	0	0	0	110.2	F252 D269 L272 N273 L298	F252-A266 HydrophobicContact CD1-CB 4.07Å; F252-A266 HydrophobicContact CE1-CB 3.92Å; A266-D269 VanDerWaalsContact CB-O 3.26Å; A266-D269 WeakPolarHBondContact CB-O 3.43Å; A266-L272 HydrophobicContact CB-CB 3.87Å; A266-L272 HydrophobicContact CB-CD1 4.18Å; A266-L272 HydrophobicContact CB-CG 4.47Å; A266-N273 PolarHBondContact N-OD1 3.44Å; A266-N273 PolarHBondContact O-ND2 2.81Å; A266-L298 HydrophobicContact CB-CD2 4.47Å
267	L	95.4	Very high	91.6	Very high	30 Å²	30	52.7 Å²	52.7	16%	0.157	25%	0.249	C	C	.	.	S	Bend	trans	-105.7	-39.8	-178.6	-60	-173.1	0	0	0	112.8	L220 L232 F246 S251 L253 T270	L220-L267 HydrophobicContact CD2-CD1 3.71Å; L220-L267 HydrophobicContact CD2-CD2 3.59Å; L220-L267 HydrophobicContact CD2-CG 4.28Å; L232-L267 HydrophobicContact CD1-CD2 3.95Å; F246-L267 HydrophobicContact CD1-CD1 3.59Å; F246-L267 HydrophobicContact CE1-CD1 3.56Å; S251-L267 PolarHBondContact O-N 3.46Å; L253-L267 HydrophobicContact CB-CD1 3.93Å; L253-L267 HydrophobicContact CB-CD2 4.15Å; L253-L267 HydrophobicContact CB-CG 4.15Å; L267-T270 WeakPolarHBondContact O-CG2 3.18Å
268	K	92.4	Very high	89.7	Confident	135 Å²	135	57.3 Å²	57.3	59%	0.587	27%	0.274	S	S	*	.	S	Bend	trans	-79.3	-52.7	178	-75.1	-175.9	-164.8	157.7	0	112	D249 S251 T270	D249-K268 WeakPolarHBondContact O-CE 3.24Å; D249-K268 PolarHBondContact O-NZ 3.09Å; D249-K268 IonicContact OD2-NZ 3.87Å; S251-K268 PolarHBondContact O-N 2.78Å; S251-K268 VanDerWaalsContact OG-CD 3.3Å; S251-K268 WeakPolarHBondContact OG-CD 3.2Å; S251-K268 WeakPolarHBondContact OG-CE 3.41Å; S251-K268 PolarHBondContact OG-NZ 2.8Å; K268-T270 PolarHBondContact O-N 3.34Å
269	D	92.7	Very high	87.8	Confident	52 Å²	52	57 Å²	57	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	-99.6	80.4	172.4	-164.2	-11.8	0	0	0	110.8	A266 R271 L272	A266-D269 VanDerWaalsContact CB-O 3.26Å; A266-D269 WeakPolarHBondContact CB-O 3.43Å; D269-R271 PolarHBondContact O-N 2.92Å; D269-R271 VanDerWaalsContact OD1-CB 3.3Å; D269-R271 WeakPolarHBondContact OD1-CB 3.1Å; D269-R271 IonicContact OD1-CZ 3.93Å; D269-R271 PolarHBondContact OD1-N 2.87Å; D269-R271 IonicContact OD1-NE 2.86Å; D269-R271 PolarHBondContact OD1-NE 3.4Å; D269-R271 IonicContact OD1-NH2 3.71Å; D269-R271 PolarHBondContact OD1-NH2 3.38Å; D269-R271 IonicContact OD2-CZ 3.93Å; D269-R271 IonicContact OD2-NE 2.89Å; D269-R271 IonicContact OD2-NH2 3.41Å; D269-R271 PolarHBondContact OD2-NH2 2.85Å; D269-L272 HydrophobicContact CB-CD1 4.01Å; D269-L272 HydrophobicContact CB-CG 4.01Å; D269-L272 WeakPolarHBondContact O-CB 3.33Å; D269-L272 WeakPolarHBondContact O-CG 3.34Å; D269-L272 PolarHBondContact O-N 3.46Å; D269-L272 VanDerWaalsContact O-N 3.14Å
270	T	91.7	Very high	85.7	Confident	41 Å²	41	63.2 Å²	63.2	25%	0.252	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-7.7	-179.8	57.4	0	0	0	0	114.2	L267 K268 L272 N273 Q295	L267-T270 WeakPolarHBondContact O-CG2 3.18Å; K268-T270 PolarHBondContact O-N 3.34Å; T270-L272 VanDerWaalsContact C-N 3.27Å; T270-N273 PolarHBondContact O-N 2.76Å; T270-Q295 PolarHBondContact O-OE1 3.01Å
271	R	90.6	Very high	83.7	Confident	193 Å²	193	67.9 Å²	67.9	73%	0.728	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-21.4	175.1	-56.5	170.8	-64.1	178.7	4.4	112	D269 N273	D269-R271 PolarHBondContact O-N 2.92Å; D269-R271 VanDerWaalsContact OD1-CB 3.3Å; D269-R271 WeakPolarHBondContact OD1-CB 3.1Å; D269-R271 IonicContact OD1-CZ 3.93Å; D269-R271 PolarHBondContact OD1-N 2.87Å; D269-R271 IonicContact OD1-NE 2.86Å; D269-R271 PolarHBondContact OD1-NE 3.4Å; D269-R271 IonicContact OD1-NH2 3.71Å; D269-R271 PolarHBondContact OD1-NH2 3.38Å; D269-R271 IonicContact OD2-CZ 3.93Å; D269-R271 IonicContact OD2-NE 2.89Å; D269-R271 IonicContact OD2-NH2 3.41Å; D269-R271 PolarHBondContact OD2-NH2 2.85Å; R271-N273 PolarHBondContact O-N 3.29Å
272	L	93.3	Very high	81.7	Confident	50 Å²	50	68.7 Å²	68.7	26%	0.262	34%	0.341	S	S	.	.	S	Bend	trans	-70.1	-25.7	175	-55.7	-178.9	0	0	0	111.6	A266 D269 T270 L298 P340	A266-L272 HydrophobicContact CB-CB 3.87Å; A266-L272 HydrophobicContact CB-CD1 4.18Å; A266-L272 HydrophobicContact CB-CG 4.47Å; D269-L272 HydrophobicContact CB-CD1 4.01Å; D269-L272 HydrophobicContact CB-CG 4.01Å; D269-L272 WeakPolarHBondContact O-CB 3.33Å; D269-L272 WeakPolarHBondContact O-CG 3.34Å; D269-L272 PolarHBondContact O-N 3.46Å; D269-L272 VanDerWaalsContact O-N 3.14Å; T270-L272 VanDerWaalsContact C-N 3.27Å; L272-L298 HydrophobicContact CB-CD1 4.1Å; L272-L298 HydrophobicContact CB-CD2 4.24Å; L272-L298 VanDerWaalsContact O-CD1 3.32Å; L272-L298 WeakPolarHBondContact O-CD1 3.32Å; L272-P340 HydrophobicContact CD1-CB 4.13Å; L272-P340 HydrophobicContact CD2-CB 4.1Å
273	N	94.9	Very high	79.5	Confident	6 Å²	6	77 Å²	77	3%	0.032	38%	0.377	C	S	.	.	S	Bend	trans	-69.6	139.9	176.5	-71.2	-26.4	0	0	0	111.5	A266 T270 R271 Q295 W296	A266-N273 PolarHBondContact N-OD1 3.44Å; A266-N273 PolarHBondContact O-ND2 2.81Å; T270-N273 PolarHBondContact O-N 2.76Å; R271-N273 PolarHBondContact O-N 3.29Å; N273-Q295 HydrophobicContact CB-CB 4.03Å; N273-Q295 PolarHBondContact ND2-OE1 2.91Å; N273-W296 VanDerWaalsContact CB-O 3.24Å; N273-W296 WeakPolarHBondContact CB-O 3.34Å
274	R	90.9	Very high	77	Confident	144 Å²	144	80.9 Å²	80.9	54%	0.543	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.8	174	-63.2	175.4	-168.7	-177.1	1.6	109.2	W296 S297	R274-W296 HydrophobicContact CB-CB 3.93Å; R274-W296 PolarHBondContact N-O 2.83Å; R274-W296 WeakPolarHBondContact O-CB 3.44Å; R274-W296 PolarHBondContact O-N 2.88Å; R274-S297 WeakPolarHBondContact CD-O 3.16Å
275	R	83.7	Confident	74.7	Confident	149 Å²	149	82.9 Å²	82.9	56%	0.562	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.8	174.1	-64.3	-173.5	-178	-158.5	-0.3	109.5	A277	R275-A277 PolarHBondContact O-N 2.97Å
276	S	71.3	Confident	72.4	Confident	21 Å²	21	89.6 Å²	89.6	15%	0.147	47%	0.466	C	S	.	.			trans	-57.2	136.7	176.5	178.2	0	0	0	0	110.5	L278 A279	S276-L278 PolarHBondContact O-N 2.92Å; S276-L278 PolarHBondContact OG-N 3.03Å; S276-A279 WeakPolarHBondContact O-CB 3.32Å; S276-A279 PolarHBondContact O-N 2.86Å
277	A	59.9	Low	70	Confident	77 Å²	77	98.4 Å²	98.4	64%	0.636	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-58.1	-29.7	174.7	0	0	0	0	0	112.1	R275 A279 R280	R275-A277 PolarHBondContact O-N 2.97Å; A277-A279 PolarHBondContact O-N 2.94Å; A277-R280 WeakPolarHBondContact O-CB 3.37Å; A277-R280 PolarHBondContact O-N 2.86Å; A277-R280 VanDerWaalsContact O-N 3.13Å
278	L	57.1	Low	67.8	Low	100 Å²	100	101 Å²	101	52%	0.524	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.4	175.9	-65.6	173.7	0	0	0	113.1	S276 R280 V281 V292	S276-L278 PolarHBondContact O-N 2.92Å; S276-L278 PolarHBondContact OG-N 3.03Å; L278-R280 PolarHBondContact O-N 3.5Å; L278-V281 PolarHBondContact O-N 3.36Å; L278-V292 HydrophobicContact CB-CG1 3.51Å
279	A	54.6	Low	65.5	Low	44 Å²	44	95.6 Å²	95.6	36%	0.364	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-65.7	-22.7	174.5	0	0	0	0	0	112	S276 A277 V292	S276-A279 WeakPolarHBondContact O-CB 3.32Å; S276-A279 PolarHBondContact O-N 2.86Å; A277-A279 PolarHBondContact O-N 2.94Å; A279-V292 HydrophobicContact CB-CB 4.26Å; A279-V292 HydrophobicContact CB-CG1 4.38Å; A279-V292 VanDerWaalsContact CB-O 3.31Å; A279-V292 WeakPolarHBondContact CB-O 3.34Å
280	R	50.7	Low	63.4	Low	230 Å²	230	100 Å²	100	87%	0.868	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-82.3	-14.8	176.6	-63	-174.5	-177.1	158.4	0.8	113.7	A277 L278 G282	A277-R280 WeakPolarHBondContact O-CB 3.37Å; A277-R280 PolarHBondContact O-N 2.86Å; A277-R280 VanDerWaalsContact O-N 3.13Å; L278-R280 PolarHBondContact O-N 3.5Å; R280-G282 VanDerWaalsContact C-N 3.35Å
281	V	53.3	Low	61.4	Low	104 Å²	104	102 Å²	102	63%	0.63	53%	0.526	S	S	*	.	S	Bend	trans	-90.7	-0.5	-174.2	-176	0	0	0	0	112.2	L278	L278-V281 PolarHBondContact O-N 3.36Å
282	G	52.6	Low	59.7	Low	47 Å²	47	93.3 Å²	93.3	49%	0.485	50%	0.495	S	S	.	.			trans	75.7	162.5	-178.7	0	0	0	0	0	112.7	R280 V284	R280-G282 VanDerWaalsContact C-N 3.35Å; G282-V284 PolarHBondContact O-N 2.91Å
283	K	51.6	Low	58.4	Low	174 Å²	174	96.5 Å²	96.5	76%	0.757	51%	0.512	S	S	*	.			trans	-66.5	94.6	-174.7	-71.1	-179.5	177.2	178.3	0	111.3	G285	K283-G285 PolarHBondContact O-N 3.45Å
284	V	46.5	Very low	57.4	Low	101 Å²	101	96.2 Å²	96.2	61%	0.612	51%	0.511	S	S	*	.			trans	-90.1	92.2	167.9	-164.8	0	0	0	0	108.4	G282 I288	G282-V284 PolarHBondContact O-N 2.91Å; V284-I288 WeakPolarHBondContact O-CD1 3.47Å
285	G	50.6	Low	57.4	Low	42 Å²	42	90.4 Å²	90.4	43%	0.433	49%	0.49	S	S	.	.	S	Bend	trans	90.5	155.4	167.9	0	0	0	0	0	117.3	K283 M287	K283-G285 PolarHBondContact O-N 3.45Å; G285-M287 VanDerWaalsContact C-N 3.32Å; G285-M287 PolarHBondContact O-N 2.67Å
286	P	49.4	Very low	57.9	Low	141 Å²	141	86.1 Å²	86.1	92%	0.916	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.5	-169.3	26	-32.4	0	0	0	115.3
287	M	46.6	Very low	59	Low	186 Å²	186	85.5 Å²	85.5	92%	0.916	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-10.8	-176.4	-76.3	-91	-114.5	0	0	114.4	G285	G285-M287 VanDerWaalsContact C-N 3.32Å; G285-M287 PolarHBondContact O-N 2.67Å
288	I	50.2	Low	60.8	Low	85 Å²	85	82 Å²	82	44%	0.436	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-17.4	-174	-68.3	163.5	0	0	0	112.3	V284 Q290 Y291 V292	V284-I288 WeakPolarHBondContact O-CD1 3.47Å; I288-Q290 PolarHBondContact O-N 3.39Å; I288-Y291 PolarHBondContact O-N 3.17Å; I288-Y291 VanDerWaalsContact O-N 3.07Å; I288-V292 HydrophobicContact CG2-CG1 4.47Å; I288-V292 HydrophobicContact CG2-CG2 4.12Å; I288-V292 VanDerWaalsContact O-CG2 3.29Å; I288-V292 WeakPolarHBondContact O-CG2 3.38Å; I288-V292 PolarHBondContact O-N 3.47Å
289	G	42.4	Very low	62.6	Low	20 Å²	20	77.2 Å²	77.2	21%	0.206	42%	0.415	C	S	.	.	H	α-helix	trans	-55.3	-39.3	-169	0	0	0	0	0	116.5	Y291 V292 D293	G289-Y291 VanDerWaalsContact C-N 3.35Å; G289-Y291 PolarHBondContact O-N 2.87Å; G289-V292 WeakPolarHBondContact O-CG2 3.35Å; G289-D293 PolarHBondContact O-N 3.02Å
290	Q	49.7	Very low	64.7	Low	144 Å²	144	77.5 Å²	77.5	67%	0.673	41%	0.414	S	S	*	.	H	α-helix	trans	-74.2	-24.8	-179.1	-67	-176.2	-3.1	0	0	113.3	I288	I288-Q290 PolarHBondContact O-N 3.39Å
291	Y	50.1	Low	66.9	Low	83 Å²	83	67 Å²	67	33%	0.325	38%	0.375	S	S	.	.	H	α-helix	trans	-77.1	-39.8	-179.9	-173.1	-97.1	0	0	0	111.7	I288 G289 S294	I288-Y291 PolarHBondContact O-N 3.17Å; I288-Y291 VanDerWaalsContact O-N 3.07Å; G289-Y291 VanDerWaalsContact C-N 3.35Å; G289-Y291 PolarHBondContact O-N 2.87Å; Y291-S294 PolarHBondContact O-OG 2.81Å
292	V	54.6	Low	68.9	Low	12 Å²	12	66.6 Å²	66.6	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-73.4	-24.7	179.5	-91.4	0	0	0	0	114	L278 A279 I288 G289	L278-V292 HydrophobicContact CB-CG1 3.51Å; A279-V292 HydrophobicContact CB-CB 4.26Å; A279-V292 HydrophobicContact CB-CG1 4.38Å; A279-V292 VanDerWaalsContact CB-O 3.31Å; A279-V292 WeakPolarHBondContact CB-O 3.34Å; I288-V292 HydrophobicContact CG2-CG1 4.47Å; I288-V292 HydrophobicContact CG2-CG2 4.12Å; I288-V292 VanDerWaalsContact O-CG2 3.29Å; I288-V292 WeakPolarHBondContact O-CG2 3.38Å; I288-V292 PolarHBondContact O-N 3.47Å; G289-V292 WeakPolarHBondContact O-CG2 3.35Å
293	D	65	Low	70.8	Confident	116 Å²	116	64.9 Å²	64.9	62%	0.62	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-10.4	178.9	-67.5	-22.7	0	0	0	113.4	G289	G289-D293 PolarHBondContact O-N 3.02Å
294	S	75.1	Confident	72.5	Confident	1 Å²	1	59 Å²	59	1%	0.007	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-76.7	138.6	-176.1	65.6	0	0	0	0	113.4	R233 Y291	R233-S294 PolarHBondContact NE-OG 2.86Å; R233-S294 PolarHBondContact NH2-OG 3.22Å; Y291-S294 PolarHBondContact O-OG 2.81Å
295	Q	90	Very high	73.9	Confident	22 Å²	22	57.1 Å²	57.1	10%	0.103	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.7	-178.6	-59.1	-177.9	37.6	0	0	110.5	E231 L232 R233 T270 N273	E231-Q295 PolarHBondContact O-N 3.5Å; L232-Q295 CarbonylContact C-O 3.57Å; L232-Q295 WeakPolarHBondContact CA-O 3.5Å; L232-Q295 HydrophobicContact CD2-CB 4.15Å; R233-Q295 PolarHBondContact N-O 3.14Å; T270-Q295 PolarHBondContact O-OE1 3.01Å; N273-Q295 HydrophobicContact CB-CB 4.03Å; N273-Q295 PolarHBondContact ND2-OE1 2.91Å
296	W	94	Very high	75.3	Confident	59 Å²	59	64.7 Å²	64.7	22%	0.223	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	163.7	176.8	-67.1	74.3	0	0	0	111.1	R233 N273 R274 L298	R233-W296 HydrophobicContact CB-CD2 4.28Å; R233-W296 HydrophobicContact CB-CG 4.43Å; R233-W296 HydrophobicContact CG-CD2 4.12Å; R233-W296 HydrophobicContact CG-CE3 4.28Å; R233-W296 HydrophobicContact CG-CH2 4.19Å; R233-W296 HydrophobicContact CG-CZ2 4.02Å; R233-W296 HydrophobicContact CG-CZ3 4.33Å; N273-W296 VanDerWaalsContact CB-O 3.24Å; N273-W296 WeakPolarHBondContact CB-O 3.34Å; R274-W296 HydrophobicContact CB-CB 3.93Å; R274-W296 PolarHBondContact N-O 2.83Å; R274-W296 WeakPolarHBondContact O-CB 3.44Å; R274-W296 PolarHBondContact O-N 2.88Å; W296-L298 PolarHBondContact O-N 2.85Å
297	S	95.6	Very high	77.1	Confident	7 Å²	7	58.4 Å²	58.4	5%	0.049	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58	137.3	-178.9	55.7	0	0	0	0	112.3	H263 I264 F265 R274 A299	H263-S297 PolarHBondContact ND1-OG 2.93Å; I264-S297 CarbonylContact O-C 3.59Å; I264-S297 WeakPolarHBondContact O-CA 3.4Å; I264-S297 WeakPolarHBondContact O-CB 3.27Å; F265-S297 VanDerWaalsContact CE1-N 3.33Å; R274-S297 WeakPolarHBondContact CD-O 3.16Å; S297-A299 WeakPolarHBondContact CB-O 3.46Å
298	L	96.3	Very high	79.3	Confident	4 Å²	4	51 Å²	51	2%	0.021	28%	0.279	C	S	.	.	S	Bend	trans	-57.6	-51.5	168.7	160.3	60	0	0	0	109.8	F252 I264 A266 L272 W296 F338 P340	F252-L298 HydrophobicContact CE1-CD2 4.01Å; I264-L298 PolarHBondContact O-N 3.17Å; A266-L298 HydrophobicContact CB-CD2 4.47Å; L272-L298 HydrophobicContact CB-CD1 4.1Å; L272-L298 HydrophobicContact CB-CD2 4.24Å; L272-L298 VanDerWaalsContact O-CD1 3.32Å; L272-L298 WeakPolarHBondContact O-CD1 3.32Å; W296-L298 PolarHBondContact O-N 2.85Å; L298-F338 HydrophobicContact CD2-CD2 4.2Å; L298-F338 HydrophobicContact CD2-CE2 4.2Å; L298-P340 WeakPolarHBondContact CD1-O 3.48Å
299	A	96.7	Very high	81.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160.6	-176.9	0	0	0	0	0	110.6	I264 S297 F338 C344	I264-A299 HydrophobicContact CB-CB 4.32Å; I264-A299 HydrophobicContact CD1-CB 4.23Å; I264-A299 PolarHBondContact N-O 3.04Å; I264-A299 PolarHBondContact O-N 3.2Å; S297-A299 WeakPolarHBondContact CB-O 3.46Å; A299-F338 HydrophobicContact CB-CB 4.29Å; A299-C344 HydrophobicContact CB-CB 4Å
300	S	96.9	Very high	84.1	Confident	49 Å²	49	47.3 Å²	47.3	34%	0.343	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	152.5	173.4	57.2	0	0	0	0	110.2	V262	V262-S300 WeakPolarHBondContact O-CA 3.46Å; V262-S300 WeakPolarHBondContact O-CB 3.43Å
301	F	96.9	Very high	86.4	Confident	10 Å²	10	40.4 Å²	40.4	4%	0.044	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	164	171.8	62.6	-90.3	0	0	0	110.6	T261 V262 I264 V303 V324 A326 Y336	T261-F301 WeakPolarHBondContact CA-O 3.48Å; V262-F301 HydrophobicContact CB-CD1 4.18Å; V262-F301 HydrophobicContact CB-CD2 4.28Å; V262-F301 HydrophobicContact CB-CE1 3.67Å; V262-F301 HydrophobicContact CB-CE2 3.79Å; V262-F301 HydrophobicContact CB-CG 4.47Å; V262-F301 HydrophobicContact CB-CZ 3.47Å; V262-F301 VanDerWaalsContact CB-CZ 3.47Å; V262-F301 HydrophobicContact CG1-CE1 3.68Å; V262-F301 HydrophobicContact CG1-CE2 4.45Å; V262-F301 HydrophobicContact CG1-CZ 3.65Å; V262-F301 HydrophobicContact CG2-CD2 4.47Å; V262-F301 HydrophobicContact CG2-CE1 4.44Å; V262-F301 HydrophobicContact CG2-CE2 3.74Å; V262-F301 HydrophobicContact CG2-CZ 3.74Å; V262-F301 PolarHBondContact N-O 3.18Å; V262-F301 PolarHBondContact O-N 3.15Å; V262-F301 VanDerWaalsContact O-N 3.09Å; I264-F301 HydrophobicContact CD1-CD1 4.34Å; I264-F301 HydrophobicContact CD1-CE1 4.26Å; F301-V303 HydrophobicContact CD2-CG1 4.13Å; F301-V303 HydrophobicContact CE2-CG1 3.79Å; F301-V324 HydrophobicContact CE1-CB 3.99Å; F301-V324 HydrophobicContact CE1-CG1 3.8Å; F301-V324 HydrophobicContact CZ-CB 4.42Å; F301-V324 HydrophobicContact CZ-CG1 3.9Å; F301-A326 HydrophobicContact CE2-CB 4Å; F301-A326 HydrophobicContact CZ-CB 4.16Å; F301-Y336 HydrophobicContact CB-CD1 3.57Å; F301-Y336 HydrophobicContact CB-CD2 4.4Å; F301-Y336 HydrophobicContact CB-CE1 3.54Å; F301-Y336 HydrophobicContact CB-CE2 4.36Å; F301-Y336 HydrophobicContact CB-CG 4.02Å; F301-Y336 HydrophobicContact CD1-CD1 4.22Å; F301-Y336 HydrophobicContact CD1-CD2 4.27Å; F301-Y336 AromaticContact CD1-CG 3.89Å; F301-Y336 HydrophobicContact CD1-CG 3.89Å; F301-Y336 HydrophobicContact CD2-CD1 4.22Å; F301-Y336 AromaticContact CD2-CD2 3.47Å; F301-Y336 HydrophobicContact CD2-CD2 3.47Å; F301-Y336 VanDerWaalsContact CD2-CD2 3.47Å; F301-Y336 HydrophobicContact CD2-CE1 4.24Å; F301-Y336 AromaticContact CD2-CE2 3.47Å; F301-Y336 HydrophobicContact CD2-CE2 3.47Å; F301-Y336 VanDerWaalsContact CD2-CE2 3.47Å; F301-Y336 AromaticContact CD2-CG 3.86Å; F301-Y336 HydrophobicContact CD2-CG 3.86Å; F301-Y336 AromaticContact CD2-CZ 3.87Å; F301-Y336 HydrophobicContact CE1-CD2 4.41Å; F301-Y336 HydrophobicContact CE1-CG 4.27Å; F301-Y336 AromaticContact CE2-CD2 3.64Å; F301-Y336 HydrophobicContact CE2-CD2 3.64Å; F301-Y336 AromaticContact CE2-CE2 3.91Å; F301-Y336 HydrophobicContact CE2-CE2 3.91Å; F301-Y336 HydrophobicContact CE2-CG 4.24Å; F301-Y336 AromaticContact CG-CD1 3.76Å; F301-Y336 HydrophobicContact CG-CD1 3.76Å; F301-Y336 AromaticContact CG-CD2 3.8Å; F301-Y336 HydrophobicContact CG-CD2 3.8Å; F301-Y336 HydrophobicContact CG-CE1 4.02Å; F301-Y336 HydrophobicContact CG-CE2 4.04Å; F301-Y336 AromaticContact CG-CG 3.66Å; F301-Y336 HydrophobicContact CG-CG 3.66Å; F301-Y336 HydrophobicContact CZ-CD2 4.11Å; F301-Y336 HydrophobicContact CZ-CG 4.42Å
302	T	95.7	Very high	88.7	Confident	95 Å²	95	36.5 Å²	36.5	58%	0.583	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	144.2	-178	53.6	0	0	0	0	111.6	G260 T261	G260-T302 CarbonylContact O-C 3.54Å; G260-T302 VanDerWaalsContact O-CA 3.25Å; G260-T302 WeakPolarHBondContact O-CA 3.29Å; T261-T302 HydrophobicContact CG2-CG2 4.13Å
303	V	93.4	Very high	90.7	Very high	11 Å²	11	36.3 Å²	36.3	7%	0.067	21%	0.206	C	C	.	.			trans	-126.5	165.1	171	-66.9	0	0	0	0	108.1	G260 V262 F301 A305 A326	G260-V303 WeakPolarHBondContact CA-O 3.41Å; G260-V303 PolarHBondContact O-N 2.81Å; G260-V303 VanDerWaalsContact O-O 3.09Å; V262-V303 HydrophobicContact CG2-CG1 4.19Å; V262-V303 HydrophobicContact CG2-CG2 4.44Å; F301-V303 HydrophobicContact CD2-CG1 4.13Å; F301-V303 HydrophobicContact CE2-CG1 3.79Å; V303-A305 PolarHBondContact O-N 2.82Å; V303-A305 VanDerWaalsContact O-N 3.07Å; V303-A326 HydrophobicContact CG1-CB 3.89Å
304	P	87.2	Confident	92	Very high	52 Å²	52	31.1 Å²	31.1	34%	0.338	18%	0.181	S	C	.	.			trans	-51.7	118.3	177.1	-27.6	36.6	0	0	0	111.7	E306 S307	P304-E306 VanDerWaalsContact C-N 3.27Å; P304-E306 PolarHBondContact O-N 2.79Å; P304-S307 PolarHBondContact O-N 3.16Å; P304-S307 VanDerWaalsContact O-N 3.14Å
305	A	76.1	Confident	92.5	Very high	60 Å²	60	37 Å²	37	50%	0.496	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-27.9	-169	0	0	0	0	0	113.9	V303 S307	V303-A305 PolarHBondContact O-N 2.82Å; V303-A305 VanDerWaalsContact O-N 3.07Å; A305-S307 PolarHBondContact O-N 2.86Å
306	E	79.9	Confident	91.7	Very high	202 Å²	202	40 Å²	40	94%	0.944	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-0.9	-179.9	-60.5	-178.2	178.3	0	0	112.6	P304	P304-E306 VanDerWaalsContact C-N 3.27Å; P304-E306 PolarHBondContact O-N 2.79Å
307	S	86.4	Confident	90.2	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.063	24%	0.243	C	C	.	.	S	Bend	trans	-115.8	121.7	-175.1	-168.4	0	0	0	0	110.8	P304 A305 D330	P304-S307 PolarHBondContact O-N 3.16Å; P304-S307 VanDerWaalsContact O-N 3.14Å; A305-S307 PolarHBondContact O-N 2.86Å; S307-D330 VanDerWaalsContact CB-OD2 3.28Å; S307-D330 WeakPolarHBondContact CB-OD2 3.38Å; S307-D330 WeakPolarHBondContact OG-CB 3.16Å; S307-D330 PolarHBondContact OG-N 3.45Å; S307-D330 VanDerWaalsContact OG-N 3.16Å; S307-D330 PolarHBondContact OG-OD2 2.77Å
308	A	93.4	Very high	88.8	Confident	30 Å²	30	45.4 Å²	45.4	25%	0.248	26%	0.262	C	S	.	.			trans	-63.5	140.5	170.6	0	0	0	0	0	110.3	Y242 C328 V329	Y242-A308 HydrophobicContact CD1-CB 3.93Å; Y242-A308 HydrophobicContact CD2-CB 4.14Å; Y242-A308 HydrophobicContact CE1-CB 3.74Å; Y242-A308 VanDerWaalsContact CE2-CA 3.5Å; Y242-A308 HydrophobicContact CE2-CB 3.95Å; Y242-A308 HydrophobicContact CG-CB 4.13Å; A308-C328 CarbonylContact O-C 3.51Å; A308-C328 WeakPolarHBondContact O-CA 3.46Å; A308-V329 HydrophobicContact CB-CG1 4.24Å; A308-V329 HydrophobicContact CB-CG2 4.14Å; A308-V329 WeakPolarHBondContact O-CG2 3.08Å; A308-V329 PolarHBondContact O-N 2.89Å
309	C	95.9	Very high	87.1	Confident	3 Å²	3	54.8 Å²	54.8	2%	0.02	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.9	177.8	66.7	0	0	0	0	112.5	Y242 S256 I327 C328	Y242-C309 WeakPolarHBondContact CB-O 3.44Å; S256-C309 WeakPolarHBondContact CB-O 3.35Å; S256-C309 VanDerWaalsContact CB-SG 3.53Å; S256-C309 PolarHBondContact OG-O 2.72Å; C309-I327 CarbonylContact C-O 3.21Å; C309-I327 WeakPolarHBondContact CA-O 3.12Å; C309-I327 VanDerWaalsContact CB-O 3.27Å; C309-I327 WeakPolarHBondContact CB-O 3.02Å; C309-C328 HydrophobicContact CB-CB 4.12Å; C309-C328 WeakPolarHBondContact CB-SG 3.22Å
310	I	97.8	Very high	85.5	Confident	24 Å²	24	60.7 Å²	60.7	12%	0.123	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	146.3	164.3	60.1	173.1	0	0	0	108.9	L12 F14 C243 A326 I327	L12-I310 HydrophobicContact CB-CD1 3.67Å; L12-I310 HydrophobicContact CB-CG1 4.03Å; L12-I310 HydrophobicContact CB-CG2 4.36Å; F14-I310 HydrophobicContact CD2-CB 4.28Å; F14-I310 HydrophobicContact CD2-CD1 3.56Å; F14-I310 HydrophobicContact CD2-CG1 4.04Å; F14-I310 HydrophobicContact CE2-CB 3.97Å; F14-I310 HydrophobicContact CE2-CD1 3.59Å; F14-I310 HydrophobicContact CE2-CG1 3.6Å; F14-I310 HydrophobicContact CG-CD1 4.21Å; F14-I310 HydrophobicContact CZ-CD1 4.27Å; F14-I310 HydrophobicContact CZ-CG1 4.31Å; C243-I310 HydrophobicContact CB-CG2 4.49Å; I310-A326 CarbonylContact O-C 3.57Å; I310-A326 WeakPolarHBondContact O-CA 3.16Å; I310-I327 HydrophobicContact CG1-CB 3.94Å; I310-I327 PolarHBondContact N-O 2.79Å; I310-I327 PolarHBondContact O-N 3.1Å
311	C	98.4	Very high	84.3	Confident	0 Å²	0	61 Å²	61	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	144.4	176.6	64.6	0	0	0	0	111.7	C243 N245 V262 V324 I325 A326	C243-C311 PolarHBondContact SG-N 2.92Å; C243-C311 PolarHBondContact SG-SG 2.92Å; N245-C311 PolarHBondContact ND2-O 2.59Å; V262-C311 HydrophobicContact CG1-CB 3.95Å; V262-C311 HydrophobicContact CG2-CB 4.38Å; C311-V324 HydrophobicContact CB-CG1 4.35Å; C311-I325 CarbonylContact C-O 3.42Å; C311-I325 WeakPolarHBondContact CA-O 3.3Å; C311-I325 WeakPolarHBondContact CB-O 3.38Å; C311-A326 HydrophobicContact CB-CB 4.48Å
312	A	97.8	Very high	84	Confident	1 Å²	1	61.8 Å²	61.8	1%	0.008	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	169.3	179.2	0	0	0	0	0	110.5	F14 Q18 V324 I325	F14-A312 HydrophobicContact CD1-CB 4.11Å; F14-A312 HydrophobicContact CD2-CB 3.61Å; F14-A312 HydrophobicContact CE1-CB 3.88Å; F14-A312 HydrophobicContact CE2-CB 3.37Å; F14-A312 HydrophobicContact CG-CB 3.99Å; F14-A312 HydrophobicContact CZ-CB 3.52Å; Q18-A312 HydrophobicContact CB-CB 3.98Å; Q18-A312 HydrophobicContact CG-CB 3.92Å; A312-V324 WeakPolarHBondContact O-CA 3.34Å; A312-I325 PolarHBondContact N-O 2.87Å; A312-I325 PolarHBondContact O-N 3.35Å
313	F	96.3	Very high	84	Confident	7 Å²	7	57.6 Å²	57.6	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	135.1	177.8	-69.7	-91.7	0	0	0	110.2	F252 C254 I264 S323 V324 F338	F252-F313 HydrophobicContact CB-CD1 4.5Å; F252-F313 HydrophobicContact CB-CE1 3.52Å; F252-F313 HydrophobicContact CB-CE2 4.25Å; F252-F313 HydrophobicContact CB-CZ 3.36Å; F252-F313 HydrophobicContact CG-CE1 4.28Å; C254-F313 HydrophobicContact CB-CE2 3.8Å; C254-F313 HydrophobicContact CB-CZ 3.86Å; C254-F313 VanDerWaalsContact SG-CE2 3.58Å; I264-F313 HydrophobicContact CG2-CE1 4.29Å; I264-F313 HydrophobicContact CG2-CZ 4.39Å; F313-S323 WeakPolarHBondContact CA-O 3.04Å; F313-V324 HydrophobicContact CD1-CG2 3.65Å; F313-V324 HydrophobicContact CE1-CG2 3.51Å; F313-V324 HydrophobicContact CG-CG2 4.4Å; F313-V324 HydrophobicContact CZ-CG2 4.16Å; F313-F338 HydrophobicContact CD1-CE1 4.22Å; F313-F338 HydrophobicContact CD1-CZ 4.46Å; F313-F338 AromaticContact CE1-CE1 3.89Å; F313-F338 HydrophobicContact CE1-CE1 3.89Å; F313-F338 AromaticContact CE1-CZ 3.88Å; F313-F338 HydrophobicContact CE1-CZ 3.88Å
314	G	92.6	Very high	84.2	Confident	8 Å²	8	57 Å²	57	8%	0.082	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-70.1	166.6	169.7	0	0	0	0	0	111.3	E35 N316 S323	E35-G314 WeakPolarHBondContact OE2-CA 3.44Å; G314-N316 PolarHBondContact O-N 3.37Å; G314-S323 WeakPolarHBondContact CA-OG 3.45Å; G314-S323 PolarHBondContact N-O 3.26Å
315	R	84.3	Confident	84.7	Confident	123 Å²	123	54.6 Å²	54.6	46%	0.464	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-69.3	130.1	174.8	-72.1	-176.2	173	175.7	-2.1	108.9	D17 S19 E35 T317	D17-R315 IonicContact OD2-NH2 3.87Å; D17-R315 PolarHBondContact OD2-NH2 2.97Å; S19-R315 VanDerWaalsContact CB-NH2 3.29Å; E35-R315 PolarHBondContact OE2-N 3.2Å; R315-T317 PolarHBondContact O-N 3.17Å
316	N	73.6	Confident	85.7	Confident	87 Å²	87	51.8 Å²	51.8	47%	0.465	27%	0.27	S	S	.	.			trans	-68.7	105	-178.8	-163.7	-10.6	0	0	0	110	G314 S318 V321	G314-N316 PolarHBondContact O-N 3.37Å; N316-S318 PolarHBondContact OD1-N 3.44Å; N316-S318 PolarHBondContact OD1-O 3.38Å; N316-V321 PolarHBondContact OD1-O 2.93Å
317	T	63.3	Low	86.6	Confident	115 Å²	115	42.1 Å²	42.1	71%	0.706	23%	0.225	S	C	*	.			trans	-85.6	-17.3	-178.7	54.2	0	0	0	0	112.6	R315	R315-T317 PolarHBondContact O-N 3.17Å
318	S	64.9	Low	87.1	Confident	64 Å²	64	41.7 Å²	41.7	45%	0.448	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-152	139.5	-178.3	176	0	0	0	0	111.5	N316 N320 V321	N316-S318 PolarHBondContact OD1-N 3.44Å; N316-S318 PolarHBondContact OD1-O 3.38Å; S318-N320 PolarHBondContact O-N 3.28Å; S318-V321 PolarHBondContact O-N 3.13Å
319	K	61.1	Low	87.2	Confident	200 Å²	200	42.6 Å²	42.6	87%	0.87	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-22	-171.5	-71.6	-177.2	176.8	178.6	0	116.4
320	N	63.8	Low	87.1	Confident	125 Å²	125	43.9 Å²	43.9	67%	0.668	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	2.7	-175.9	-62.9	-30.7	0	0	0	115	S318	S318-N320 PolarHBondContact O-N 3.28Å
321	V	71.8	Confident	86.9	Confident	55 Å²	55	42.8 Å²	42.8	33%	0.333	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-117	107	-177.3	-176	0	0	0	0	108.9	N316 S318 V337	N316-V321 PolarHBondContact OD1-O 2.93Å; S318-V321 PolarHBondContact O-N 3.13Å; V321-V337 HydrophobicContact CG1-CB 3.92Å; V321-V337 HydrophobicContact CG1-CG1 3.62Å
322	N	90.8	Very high	86.8	Confident	26 Å²	26	43.6 Å²	43.6	14%	0.139	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	139.5	172.9	-61.8	-75.5	0	0	0	108.5	V337 F338	N322-V337 CarbonylContact O-C 3.5Å; N322-V337 WeakPolarHBondContact O-CA 3.27Å; N322-F338 HydrophobicContact CB-CD1 3.93Å; N322-F338 HydrophobicContact CB-CD2 4.5Å; N322-F338 HydrophobicContact CB-CE1 3.24Å; N322-F338 HydrophobicContact CB-CE2 3.9Å; N322-F338 HydrophobicContact CB-CZ 3.23Å; N322-F338 WeakPolarHBondContact O-CD1 3.4Å; N322-F338 PolarHBondContact O-N 3.16Å
323	S	95.2	Very high	86.7	Confident	7 Å²	7	43.8 Å²	43.8	5%	0.049	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.4	176.6	59.7	0	0	0	0	111.2	F313 G314 Y336	F313-S323 WeakPolarHBondContact CA-O 3.04Å; G314-S323 WeakPolarHBondContact CA-OG 3.45Å; G314-S323 PolarHBondContact N-O 3.26Å; S323-Y336 CarbonylContact C-O 3.6Å; S323-Y336 WeakPolarHBondContact CA-O 3.35Å
324	V	97.5	Very high	86.8	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	168.4	175.7	0	0	0	0	107.9	C254 V262 I264 F301 C311 A312 F313 Y336 F338	C254-V324 HydrophobicContact CB-CG1 4.14Å; C254-V324 HydrophobicContact CB-CG2 4.47Å; V262-V324 HydrophobicContact CG1-CG1 4.1Å; I264-V324 HydrophobicContact CD1-CB 4.16Å; I264-V324 HydrophobicContact CD1-CG2 3.66Å; I264-V324 HydrophobicContact CG1-CG2 3.99Å; F301-V324 HydrophobicContact CE1-CB 3.99Å; F301-V324 HydrophobicContact CE1-CG1 3.8Å; F301-V324 HydrophobicContact CZ-CB 4.42Å; F301-V324 HydrophobicContact CZ-CG1 3.9Å; C311-V324 HydrophobicContact CB-CG1 4.35Å; A312-V324 WeakPolarHBondContact O-CA 3.34Å; F313-V324 HydrophobicContact CD1-CG2 3.65Å; F313-V324 HydrophobicContact CE1-CG2 3.51Å; F313-V324 HydrophobicContact CG-CG2 4.4Å; F313-V324 HydrophobicContact CZ-CG2 4.16Å; V324-Y336 PolarHBondContact N-O 2.95Å; V324-Y336 PolarHBondContact O-N 3.14Å; V324-F338 HydrophobicContact CG2-CD1 4.1Å; V324-F338 HydrophobicContact CG2-CE1 3.76Å
325	I	97.9	Very high	87	Confident	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.3	-178.2	-64.1	169.8	0	0	0	107.2	V34 E35 C311 A312 I327 F333 H334 K335	V34-I325 HydrophobicContact CG1-CD1 3.14Å; V34-I325 HydrophobicContact CG1-CG1 4.39Å; V34-I325 HydrophobicContact CG1-CG2 4.32Å; E35-I325 HydrophobicContact CG-CD1 4.03Å; C311-I325 CarbonylContact C-O 3.42Å; C311-I325 WeakPolarHBondContact CA-O 3.3Å; C311-I325 WeakPolarHBondContact CB-O 3.38Å; A312-I325 PolarHBondContact N-O 2.87Å; A312-I325 PolarHBondContact O-N 3.35Å; I325-I327 HydrophobicContact CG2-CD1 4.49Å; I325-I327 HydrophobicContact CG2-CG1 4.06Å; I325-F333 HydrophobicContact CD1-CZ 4.29Å; I325-F333 HydrophobicContact CG1-CZ 4.35Å; I325-F333 HydrophobicContact CG2-CD2 4Å; I325-F333 HydrophobicContact CG2-CE2 3.32Å; I325-F333 HydrophobicContact CG2-CZ 3.65Å; I325-H334 CarbonylContact C-O 3.59Å; I325-H334 VanDerWaalsContact CA-O 3.25Å; I325-H334 WeakPolarHBondContact CA-O 3.28Å; I325-K335 HydrophobicContact CG1-CB 4.46Å; I325-K335 HydrophobicContact CG1-CG 4.09Å
326	A	98.1	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	130.4	171.5	0	0	0	0	0	109.8	V262 F301 V303 I310 C311 H334	V262-A326 HydrophobicContact CG2-CB 4.25Å; F301-A326 HydrophobicContact CE2-CB 4Å; F301-A326 HydrophobicContact CZ-CB 4.16Å; V303-A326 HydrophobicContact CG1-CB 3.89Å; I310-A326 CarbonylContact O-C 3.57Å; I310-A326 WeakPolarHBondContact O-CA 3.16Å; C311-A326 HydrophobicContact CB-CB 4.48Å; A326-H334 HydrophobicContact CB-CB 4.32Å; A326-H334 PolarHBondContact N-O 2.9Å; A326-H334 PolarHBondContact O-N 3.04Å
327	I	97.9	Very high	88.6	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.4	-179.2	-49.7	177.6	0	0	0	106.9	L12 F14 F21 C309 I310 I325 F333 Y352	L12-I327 HydrophobicContact CD1-CG2 3.96Å; L12-I327 WeakPolarHBondContact CD1-O 3.27Å; L12-I327 HydrophobicContact CD2-CG2 4.14Å; F14-I327 HydrophobicContact CD1-CD1 4.43Å; F14-I327 HydrophobicContact CE1-CD1 3.5Å; F14-I327 VanDerWaalsContact CE1-CD1 3.5Å; F14-I327 HydrophobicContact CE1-CG1 4.41Å; F14-I327 HydrophobicContact CE2-CD1 4.36Å; F14-I327 HydrophobicContact CZ-CD1 3.44Å; F14-I327 VanDerWaalsContact CZ-CD1 3.44Å; F14-I327 HydrophobicContact CZ-CG1 3.92Å; F21-I327 HydrophobicContact CB-CD1 3.8Å; F21-I327 HydrophobicContact CD1-CD1 3.26Å; F21-I327 HydrophobicContact CD2-CD1 3.73Å; F21-I327 HydrophobicContact CD2-CG2 4.04Å; F21-I327 HydrophobicContact CE1-CD1 3.56Å; F21-I327 HydrophobicContact CE2-CD1 4.03Å; F21-I327 HydrophobicContact CE2-CG2 3.7Å; F21-I327 HydrophobicContact CG-CD1 3.32Å; F21-I327 HydrophobicContact CZ-CD1 3.94Å; F21-I327 HydrophobicContact CZ-CG2 4.07Å; C309-I327 CarbonylContact C-O 3.21Å; C309-I327 WeakPolarHBondContact CA-O 3.12Å; C309-I327 VanDerWaalsContact CB-O 3.27Å; C309-I327 WeakPolarHBondContact CB-O 3.02Å; I310-I327 HydrophobicContact CG1-CB 3.94Å; I310-I327 PolarHBondContact N-O 2.79Å; I310-I327 PolarHBondContact O-N 3.1Å; I325-I327 HydrophobicContact CG2-CD1 4.49Å; I325-I327 HydrophobicContact CG2-CG1 4.06Å; I327-F333 HydrophobicContact CG1-CD2 4.12Å; I327-Y352 HydrophobicContact CG2-CD1 3.96Å; I327-Y352 HydrophobicContact CG2-CE1 3.54Å
328	C	96.9	Very high	90.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	146.8	-170.3	-59.5	0	0	0	0	110.8	A308 C309 D330 G331 T332 Y352	A308-C328 CarbonylContact O-C 3.51Å; A308-C328 WeakPolarHBondContact O-CA 3.46Å; C309-C328 HydrophobicContact CB-CB 4.12Å; C309-C328 WeakPolarHBondContact CB-SG 3.22Å; C328-D330 WeakPolarHBondContact CB-OD1 3.33Å; C328-D330 PolarHBondContact O-N 2.59Å; C328-D330 VanDerWaalsContact O-N 3.12Å; C328-G331 PolarHBondContact O-N 3.21Å; C328-T332 WeakPolarHBondContact CB-OG1 3.36Å; C328-T332 PolarHBondContact N-O 3.09Å; C328-Y352 WeakPolarHBondContact O-CE1 3.34Å; C328-Y352 PolarHBondContact O-OH 3.01Å
329	V	95.3	Very high	91.4	Very high	48 Å²	48	31.2 Å²	31.2	29%	0.291	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.1	179	-62.2	0	0	0	0	113.5	V9 L12 A308 G331	V9-V329 HydrophobicContact CB-CB 4.34Å; V9-V329 WeakPolarHBondContact CB-O 3.37Å; V9-V329 HydrophobicContact CG1-CB 4.23Å; V9-V329 HydrophobicContact CG1-CG1 4.25Å; V9-V329 WeakPolarHBondContact CG2-O 3.45Å; L12-V329 HydrophobicContact CD1-CG1 3.83Å; L12-V329 HydrophobicContact CG-CG1 4.37Å; A308-V329 HydrophobicContact CB-CG1 4.24Å; A308-V329 HydrophobicContact CB-CG2 4.14Å; A308-V329 WeakPolarHBondContact O-CG2 3.08Å; A308-V329 PolarHBondContact O-N 2.89Å; V329-G331 PolarHBondContact O-N 3.19Å
330	D	93.3	Very high	92.8	Very high	31 Å²	31	25 Å²	25	17%	0.166	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	1.8	171.6	63.3	11.7	0	0	0	113.7	R7 S307 C328 T332	R7-D330 WeakPolarHBondContact CD-O 3.47Å; S307-D330 VanDerWaalsContact CB-OD2 3.28Å; S307-D330 WeakPolarHBondContact CB-OD2 3.38Å; S307-D330 WeakPolarHBondContact OG-CB 3.16Å; S307-D330 PolarHBondContact OG-N 3.45Å; S307-D330 VanDerWaalsContact OG-N 3.16Å; S307-D330 PolarHBondContact OG-OD2 2.77Å; C328-D330 WeakPolarHBondContact CB-OD1 3.33Å; C328-D330 PolarHBondContact O-N 2.59Å; C328-D330 VanDerWaalsContact O-N 3.12Å; D330-T332 VanDerWaalsContact OD1-CB 3.32Å; D330-T332 WeakPolarHBondContact OD1-CB 2.9Å; D330-T332 WeakPolarHBondContact OD1-CG2 3.47Å; D330-T332 PolarHBondContact OD1-N 3.44Å; D330-T332 PolarHBondContact OD1-OG1 3.46Å
331	G	94.5	Very high	94.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	91.9	1.5	-179	0	0	0	0	0	114.5	C328 V329 V351 Y352	C328-G331 PolarHBondContact O-N 3.21Å; V329-G331 PolarHBondContact O-N 3.19Å; G331-V351 CarbonylContact O-C 3.56Å; G331-V351 WeakPolarHBondContact O-CA 3.17Å; G331-V351 WeakPolarHBondContact O-CG1 3.32Å; G331-Y352 WeakPolarHBondContact O-CD1 3.43Å; G331-Y352 WeakPolarHBondContact O-CE1 3.18Å; G331-Y352 PolarHBondContact O-N 3.36Å
332	T	95.4	Very high	95	Very high	18 Å²	18	22.4 Å²	22.4	11%	0.11	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	141.9	-177.9	64	0	0	0	0	113.2	C328 D330 H334 F349	C328-T332 WeakPolarHBondContact CB-OG1 3.36Å; C328-T332 PolarHBondContact N-O 3.09Å; D330-T332 VanDerWaalsContact OD1-CB 3.32Å; D330-T332 WeakPolarHBondContact OD1-CB 2.9Å; D330-T332 WeakPolarHBondContact OD1-CG2 3.47Å; D330-T332 PolarHBondContact OD1-N 3.44Å; D330-T332 PolarHBondContact OD1-OG1 3.46Å; T332-H334 WeakPolarHBondContact CB-NE2 3.47Å; T332-H334 PolarHBondContact OG1-NE2 3.25Å; T332-F349 HydrophobicContact CG2-CE2 3.95Å; T332-F349 HydrophobicContact CG2-CZ 3.94Å
333	F	96.9	Very high	95.1	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	173.5	175.8	-85.2	0	0	0	109	L37 I325 I327 K335 F349 D350 Y352	L37-F333 HydrophobicContact CB-CE1 4.5Å; L37-F333 HydrophobicContact CB-CZ 4.37Å; L37-F333 HydrophobicContact CD1-CD2 3.76Å; L37-F333 HydrophobicContact CD1-CE2 3.89Å; L37-F333 HydrophobicContact CD1-CG 4.3Å; L37-F333 HydrophobicContact CD2-CB 3.83Å; L37-F333 HydrophobicContact CD2-CD1 3.76Å; L37-F333 HydrophobicContact CD2-CD2 3.93Å; L37-F333 HydrophobicContact CD2-CE1 4.25Å; L37-F333 HydrophobicContact CD2-CE2 4.39Å; L37-F333 HydrophobicContact CD2-CG 3.58Å; L37-F333 HydrophobicContact CG-CD2 4.38Å; L37-F333 HydrophobicContact CG-CE2 4.5Å; L37-F333 HydrophobicContact CG-CG 4.48Å; I325-F333 HydrophobicContact CD1-CZ 4.29Å; I325-F333 HydrophobicContact CG1-CZ 4.35Å; I325-F333 HydrophobicContact CG2-CD2 4Å; I325-F333 HydrophobicContact CG2-CE2 3.32Å; I325-F333 HydrophobicContact CG2-CZ 3.65Å; I327-F333 HydrophobicContact CG1-CD2 4.12Å; F333-K335 HydrophobicContact CE1-CB 4.02Å; F333-F349 WeakPolarHBondContact O-CA 3.32Å; F333-D350 HydrophobicContact CB-CB 4.29Å; F333-D350 HydrophobicContact CD1-CB 4.43Å; F333-D350 PolarHBondContact N-O 3.01Å; F333-D350 PolarHBondContact O-N 3.26Å; F333-Y352 HydrophobicContact CB-CD1 4.35Å
334	H	97.3	Very high	95.1	Very high	9 Å²	9	26.4 Å²	26.4	4%	0.042	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	129.4	-179.1	-58.3	-105.1	0	0	0	109.6	I325 A326 T332 Y336 F349	I325-H334 CarbonylContact C-O 3.59Å; I325-H334 VanDerWaalsContact CA-O 3.25Å; I325-H334 WeakPolarHBondContact CA-O 3.28Å; A326-H334 HydrophobicContact CB-CB 4.32Å; A326-H334 PolarHBondContact N-O 2.9Å; A326-H334 PolarHBondContact O-N 3.04Å; T332-H334 WeakPolarHBondContact CB-NE2 3.47Å; T332-H334 PolarHBondContact OG1-NE2 3.25Å; H334-Y336 HydrophobicContact CB-CD2 4.28Å; H334-Y336 HydrophobicContact CB-CE2 4.02Å; H334-F349 AromaticContact CE1-CD2 3.48Å; H334-F349 VanDerWaalsContact CE1-CD2 3.48Å; H334-F349 WeakPolarHBondContact CE1-CD2 3.38Å; H334-F349 AromaticContact CE1-CE2 3.43Å; H334-F349 VanDerWaalsContact CE1-CE2 3.43Å; H334-F349 WeakPolarHBondContact CE1-CE2 3.41Å; H334-F349 AromaticContact ND1-CD2 3.6Å; H334-F349 AromaticContact NE2-CE2 3.8Å
335	K	96.6	Very high	95	Very high	26 Å²	26	31.2 Å²	31.2	11%	0.113	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.1	171.8	-171.6	-177.7	-172.3	-160.7	0	109.6	E35 I325 F333 E347 A348	E35-K335 WeakPolarHBondContact OE1-CE 3.38Å; E35-K335 IonicContact OE1-NZ 3.68Å; E35-K335 PolarHBondContact OE1-NZ 2.86Å; I325-K335 HydrophobicContact CG1-CB 4.46Å; I325-K335 HydrophobicContact CG1-CG 4.09Å; F333-K335 HydrophobicContact CE1-CB 4.02Å; K335-E347 HydrophobicContact CD-CB 4.44Å; K335-E347 HydrophobicContact CD-CG 4.46Å; K335-E347 WeakPolarHBondContact CD-OE2 3.38Å; K335-E347 WeakPolarHBondContact CE-OE2 3.37Å; K335-E347 HydrophobicContact CG-CB 4.37Å; K335-E347 IonicContact NZ-OE1 3.46Å; K335-E347 IonicContact NZ-OE2 2.67Å; K335-E347 PolarHBondContact NZ-OE2 2.88Å; K335-E347 PolarHBondContact O-N 3.27Å; K335-A348 HydrophobicContact CB-CB 3.89Å; K335-A348 HydrophobicContact CD-CB 4.43Å; K335-A348 PolarHBondContact N-O 2.89Å; K335-A348 PolarHBondContact O-N 3.46Å; K335-A348 VanDerWaalsContact O-N 3.16Å
336	Y	97	Very high	94.9	Very high	27 Å²	27	38.3 Å²	38.3	11%	0.106	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.2	176.8	-79.8	-106.2	0	0	0	110.1	F301 S323 V324 H334 N345 R346	F301-Y336 HydrophobicContact CB-CD1 3.57Å; F301-Y336 HydrophobicContact CB-CD2 4.4Å; F301-Y336 HydrophobicContact CB-CE1 3.54Å; F301-Y336 HydrophobicContact CB-CE2 4.36Å; F301-Y336 HydrophobicContact CB-CG 4.02Å; F301-Y336 HydrophobicContact CD1-CD1 4.22Å; F301-Y336 HydrophobicContact CD1-CD2 4.27Å; F301-Y336 AromaticContact CD1-CG 3.89Å; F301-Y336 HydrophobicContact CD1-CG 3.89Å; F301-Y336 HydrophobicContact CD2-CD1 4.22Å; F301-Y336 AromaticContact CD2-CD2 3.47Å; F301-Y336 HydrophobicContact CD2-CD2 3.47Å; F301-Y336 VanDerWaalsContact CD2-CD2 3.47Å; F301-Y336 HydrophobicContact CD2-CE1 4.24Å; F301-Y336 AromaticContact CD2-CE2 3.47Å; F301-Y336 HydrophobicContact CD2-CE2 3.47Å; F301-Y336 VanDerWaalsContact CD2-CE2 3.47Å; F301-Y336 AromaticContact CD2-CG 3.86Å; F301-Y336 HydrophobicContact CD2-CG 3.86Å; F301-Y336 AromaticContact CD2-CZ 3.87Å; F301-Y336 HydrophobicContact CE1-CD2 4.41Å; F301-Y336 HydrophobicContact CE1-CG 4.27Å; F301-Y336 AromaticContact CE2-CD2 3.64Å; F301-Y336 HydrophobicContact CE2-CD2 3.64Å; F301-Y336 AromaticContact CE2-CE2 3.91Å; F301-Y336 HydrophobicContact CE2-CE2 3.91Å; F301-Y336 HydrophobicContact CE2-CG 4.24Å; F301-Y336 AromaticContact CG-CD1 3.76Å; F301-Y336 HydrophobicContact CG-CD1 3.76Å; F301-Y336 AromaticContact CG-CD2 3.8Å; F301-Y336 HydrophobicContact CG-CD2 3.8Å; F301-Y336 HydrophobicContact CG-CE1 4.02Å; F301-Y336 HydrophobicContact CG-CE2 4.04Å; F301-Y336 AromaticContact CG-CG 3.66Å; F301-Y336 HydrophobicContact CG-CG 3.66Å; F301-Y336 HydrophobicContact CZ-CD2 4.11Å; F301-Y336 HydrophobicContact CZ-CG 4.42Å; S323-Y336 CarbonylContact C-O 3.6Å; S323-Y336 WeakPolarHBondContact CA-O 3.35Å; V324-Y336 PolarHBondContact N-O 2.95Å; V324-Y336 PolarHBondContact O-N 3.14Å; H334-Y336 HydrophobicContact CB-CD2 4.28Å; H334-Y336 HydrophobicContact CB-CE2 4.02Å; Y336-N345 CarbonylContact C-O 3.39Å; Y336-N345 VanDerWaalsContact CA-O 3.27Å; Y336-N345 WeakPolarHBondContact CA-O 3.25Å; Y336-R346 HydrophobicContact CD1-CB 4.07Å; Y336-R346 VanDerWaalsContact CD1-N 3.33Å; Y336-R346 HydrophobicContact CD2-CB 4.48Å; Y336-R346 HydrophobicContact CD2-CG 4.31Å; Y336-R346 HydrophobicContact CE1-CB 3.61Å; Y336-R346 HydrophobicContact CE1-CG 4.31Å; Y336-R346 HydrophobicContact CE2-CB 4.08Å; Y336-R346 HydrophobicContact CE2-CG 3.84Å; Y336-R346 HydrophobicContact CG-CB 4.47Å
337	V	95.7	Very high	94.8	Very high	31 Å²	31	43.1 Å²	43.1	19%	0.188	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	140.8	169.3	-69.7	0	0	0	0	109.5	V321 N322 C344 N345 E347	V321-V337 HydrophobicContact CG1-CB 3.92Å; V321-V337 HydrophobicContact CG1-CG1 3.62Å; N322-V337 CarbonylContact O-C 3.5Å; N322-V337 WeakPolarHBondContact O-CA 3.27Å; V337-C344 CarbonylContact O-C 3.6Å; V337-C344 VanDerWaalsContact O-CA 3.3Å; V337-C344 WeakPolarHBondContact O-CA 3.5Å; V337-N345 HydrophobicContact CG2-CB 4.45Å; V337-N345 PolarHBondContact N-O 2.94Å; V337-N345 PolarHBondContact O-N 3.09Å; V337-E347 HydrophobicContact CG1-CB 3.99Å; V337-E347 HydrophobicContact CG1-CG 4.27Å; V337-E347 VanDerWaalsContact CG1-OE2 3.28Å; V337-E347 WeakPolarHBondContact CG1-OE2 3.16Å; V337-E347 HydrophobicContact CG2-CB 4.4Å
338	F	94.8	Very high	94.6	Very high	1 Å²	1	44.6 Å²	44.6	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.8	177.1	73.2	-83.7	0	0	0	111.9	F252 I264 L298 A299 F313 N322 V324 N343 C344	F252-F338 AromaticContact CD1-CE2 3.91Å; F252-F338 HydrophobicContact CD1-CE2 3.91Å; F252-F338 HydrophobicContact CD1-CZ 4.07Å; F252-F338 HydrophobicContact CD2-CZ 4.18Å; F252-F338 AromaticContact CE1-CE2 3.77Å; F252-F338 HydrophobicContact CE1-CE2 3.77Å; F252-F338 HydrophobicContact CE1-CZ 4.27Å; F252-F338 HydrophobicContact CE2-CE2 4.46Å; F252-F338 HydrophobicContact CE2-CZ 4.36Å; F252-F338 HydrophobicContact CG-CE2 4.34Å; F252-F338 HydrophobicContact CG-CZ 4.04Å; F252-F338 HydrophobicContact CZ-CE2 4.06Å; F252-F338 HydrophobicContact CZ-CZ 4.41Å; I264-F338 HydrophobicContact CD1-CB 4.22Å; I264-F338 HydrophobicContact CD1-CD1 3.73Å; I264-F338 HydrophobicContact CD1-CE1 4.23Å; I264-F338 HydrophobicContact CD1-CG 3.94Å; I264-F338 HydrophobicContact CG2-CD1 4.45Å; I264-F338 HydrophobicContact CG2-CD2 4.22Å; I264-F338 HydrophobicContact CG2-CE1 4.1Å; I264-F338 HydrophobicContact CG2-CE2 3.85Å; I264-F338 HydrophobicContact CG2-CG 4.5Å; I264-F338 HydrophobicContact CG2-CZ 3.78Å; L298-F338 HydrophobicContact CD2-CD2 4.2Å; L298-F338 HydrophobicContact CD2-CE2 4.2Å; A299-F338 HydrophobicContact CB-CB 4.29Å; F313-F338 HydrophobicContact CD1-CE1 4.22Å; F313-F338 HydrophobicContact CD1-CZ 4.46Å; F313-F338 AromaticContact CE1-CE1 3.89Å; F313-F338 HydrophobicContact CE1-CE1 3.89Å; F313-F338 AromaticContact CE1-CZ 3.88Å; F313-F338 HydrophobicContact CE1-CZ 3.88Å; N322-F338 HydrophobicContact CB-CD1 3.93Å; N322-F338 HydrophobicContact CB-CD2 4.5Å; N322-F338 HydrophobicContact CB-CE1 3.24Å; N322-F338 HydrophobicContact CB-CE2 3.9Å; N322-F338 HydrophobicContact CB-CZ 3.23Å; N322-F338 WeakPolarHBondContact O-CD1 3.4Å; N322-F338 PolarHBondContact O-N 3.16Å; V324-F338 HydrophobicContact CG2-CD1 4.1Å; V324-F338 HydrophobicContact CG2-CE1 3.76Å; F338-N343 CarbonylContact C-O 3.52Å; F338-N343 WeakPolarHBondContact CA-O 3.38Å; F338-N343 WeakPolarHBondContact CB-O 3.28Å; F338-C344 HydrophobicContact CB-CB 4.22Å
339	T	92.7	Very high	94.6	Very high	47 Å²	47	48.9 Å²	48.9	29%	0.288	26%	0.257	S	S	.	.			trans	-121.2	160.4	-177	54.6	0	0	0	0	111.3	D341 G342 N343	T339-D341 WeakPolarHBondContact CB-OD1 3.43Å; T339-D341 PolarHBondContact O-N 2.75Å; T339-D341 PolarHBondContact OG1-OD1 2.47Å; T339-G342 PolarHBondContact O-N 2.92Å; T339-N343 PolarHBondContact N-O 3.12Å; T339-N343 WeakPolarHBondContact OG1-CB 3.4Å
340	P	90.1	Very high	94.6	Very high	68 Å²	68	49.9 Å²	49.9	44%	0.442	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.1	-177.5	-26.6	36.4	0	0	0	115.7	L272 L298 G342	L272-P340 HydrophobicContact CD1-CB 4.13Å; L272-P340 HydrophobicContact CD2-CB 4.1Å; L298-P340 WeakPolarHBondContact CD1-O 3.48Å; P340-G342 PolarHBondContact O-N 3.15Å
341	D	90.3	Very high	94.7	Very high	115 Å²	115	50.1 Å²	50.1	62%	0.615	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.4	173.8	60.4	-39.5	0	0	0	113.3	T339 N343	T339-D341 WeakPolarHBondContact CB-OD1 3.43Å; T339-D341 PolarHBondContact O-N 2.75Å; T339-D341 PolarHBondContact OG1-OD1 2.47Å; D341-N343 PolarHBondContact OD2-ND2 2.65Å
342	G	91.3	Very high	94.7	Very high	12 Å²	12	50.1 Å²	50.1	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	91.4	7.5	172.9	0	0	0	0	0	114.6	T339 P340	T339-G342 PolarHBondContact O-N 2.92Å; P340-G342 PolarHBondContact O-N 3.15Å
343	N	93.1	Very high	94.5	Very high	90 Å²	90	49.7 Å²	49.7	48%	0.481	26%	0.26	S	S	.	.			trans	-67.3	140.2	168.2	-68.9	-39.5	0	0	0	109.6	F338 T339 D341	F338-N343 CarbonylContact C-O 3.52Å; F338-N343 WeakPolarHBondContact CA-O 3.38Å; F338-N343 WeakPolarHBondContact CB-O 3.28Å; T339-N343 PolarHBondContact N-O 3.12Å; T339-N343 WeakPolarHBondContact OG1-CB 3.4Å; D341-N343 PolarHBondContact OD2-ND2 2.65Å
344	C	95.5	Very high	94.3	Very high	26 Å²	26	52.8 Å²	52.8	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	112.8	-179.9	-168.4	0	0	0	0	109.3	A299 V337 F338	A299-C344 HydrophobicContact CB-CB 4Å; V337-C344 CarbonylContact O-C 3.6Å; V337-C344 VanDerWaalsContact O-CA 3.3Å; V337-C344 WeakPolarHBondContact O-CA 3.5Å; F338-C344 HydrophobicContact CB-CB 4.22Å
345	N	95.4	Very high	93.7	Very high	102 Å²	102	55 Å²	55	55%	0.545	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.2	-172.5	-64.1	-56.8	0	0	0	110.2	Y336 V337 E347	Y336-N345 CarbonylContact C-O 3.39Å; Y336-N345 VanDerWaalsContact CA-O 3.27Å; Y336-N345 WeakPolarHBondContact CA-O 3.25Å; V337-N345 HydrophobicContact CG2-CB 4.45Å; V337-N345 PolarHBondContact N-O 2.94Å; V337-N345 PolarHBondContact O-N 3.09Å; N345-E347 PolarHBondContact O-N 2.93Å
346	R	96	Very high	92.1	Very high	150 Å²	150	56 Å²	56	57%	0.566	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.1	175.3	-166.9	170.6	66.3	179.8	-1.6	109.3	Y336	Y336-R346 HydrophobicContact CD1-CB 4.07Å; Y336-R346 VanDerWaalsContact CD1-N 3.33Å; Y336-R346 HydrophobicContact CD2-CB 4.48Å; Y336-R346 HydrophobicContact CD2-CG 4.31Å; Y336-R346 HydrophobicContact CE1-CB 3.61Å; Y336-R346 HydrophobicContact CE1-CG 4.31Å; Y336-R346 HydrophobicContact CE2-CB 4.08Å; Y336-R346 HydrophobicContact CE2-CG 3.84Å; Y336-R346 HydrophobicContact CG-CB 4.47Å
347	E	94.7	Very high	90	Very high	101 Å²	101	60 Å²	60	47%	0.472	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-41.9	175.1	-175.4	-179.9	-149.7	0	0	111.1	K335 V337 N345	K335-E347 HydrophobicContact CD-CB 4.44Å; K335-E347 HydrophobicContact CD-CG 4.46Å; K335-E347 WeakPolarHBondContact CD-OE2 3.38Å; K335-E347 WeakPolarHBondContact CE-OE2 3.37Å; K335-E347 HydrophobicContact CG-CB 4.37Å; K335-E347 IonicContact NZ-OE1 3.46Å; K335-E347 IonicContact NZ-OE2 2.67Å; K335-E347 PolarHBondContact NZ-OE2 2.88Å; K335-E347 PolarHBondContact O-N 3.27Å; V337-E347 HydrophobicContact CG1-CB 3.99Å; V337-E347 HydrophobicContact CG1-CG 4.27Å; V337-E347 VanDerWaalsContact CG1-OE2 3.28Å; V337-E347 WeakPolarHBondContact CG1-OE2 3.16Å; V337-E347 HydrophobicContact CG2-CB 4.4Å; N345-E347 PolarHBondContact O-N 2.93Å
348	A	94.4	Very high	87.5	Confident	31 Å²	31	64.6 Å²	64.6	26%	0.256	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	153.8	178.7	0	0	0	0	0	112.1	K335	K335-A348 HydrophobicContact CB-CB 3.89Å; K335-A348 HydrophobicContact CD-CB 4.43Å; K335-A348 PolarHBondContact N-O 2.89Å; K335-A348 PolarHBondContact O-N 3.46Å; K335-A348 VanDerWaalsContact O-N 3.16Å
349	F	96	Very high	84.9	Confident	90 Å²	90	72 Å²	72	40%	0.395	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	129.8	172.2	170.7	-92.7	0	0	0	108.2	T332 F333 H334 V351	T332-F349 HydrophobicContact CG2-CE2 3.95Å; T332-F349 HydrophobicContact CG2-CZ 3.94Å; F333-F349 WeakPolarHBondContact O-CA 3.32Å; H334-F349 AromaticContact CE1-CD2 3.48Å; H334-F349 VanDerWaalsContact CE1-CD2 3.48Å; H334-F349 WeakPolarHBondContact CE1-CD2 3.38Å; H334-F349 AromaticContact CE1-CE2 3.43Å; H334-F349 VanDerWaalsContact CE1-CE2 3.43Å; H334-F349 WeakPolarHBondContact CE1-CE2 3.41Å; H334-F349 AromaticContact ND1-CD2 3.6Å; H334-F349 AromaticContact NE2-CE2 3.8Å; F349-V351 HydrophobicContact CE1-CG2 4.26Å; F349-V351 HydrophobicContact CZ-CG2 4.28Å
350	D	95.9	Very high	82.3	Confident	69 Å²	69	76.7 Å²	76.7	37%	0.369	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.4	179.3	-67.6	-74.1	0	0	0	109.9	L37 F333	L37-D350 HydrophobicContact CD2-CB 3.52Å; F333-D350 HydrophobicContact CB-CB 4.29Å; F333-D350 HydrophobicContact CD1-CB 4.43Å; F333-D350 PolarHBondContact N-O 3.01Å; F333-D350 PolarHBondContact O-N 3.26Å
351	V	95.3	Very high	79.6	Confident	36 Å²	36	86 Å²	86	22%	0.218	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	97	170.3	-173.7	0	0	0	0	107.1	G331 F349 L353 D354	G331-V351 CarbonylContact O-C 3.56Å; G331-V351 WeakPolarHBondContact O-CA 3.17Å; G331-V351 WeakPolarHBondContact O-CG1 3.32Å; F349-V351 HydrophobicContact CE1-CG2 4.26Å; F349-V351 HydrophobicContact CZ-CG2 4.28Å; V351-L353 PolarHBondContact O-N 2.67Å; V351-L353 VanDerWaalsContact O-N 3.1Å; V351-D354 HydrophobicContact CB-CB 4.36Å; V351-D354 HydrophobicContact CG1-CB 4.36Å; V351-D354 WeakPolarHBondContact CG1-OD2 3.35Å; V351-D354 PolarHBondContact O-N 3.15Å
352	Y	94.2	Very high	79.1	Confident	0 Å²	0	84.6 Å²	84.6	0%	0	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-65.3	-21.8	-166.7	67	-99.4	0	0	0	113.4	F21 C23 Y32 I327 C328 G331 F333 D354	F21-Y352 HydrophobicContact CE2-CD2 4.06Å; F21-Y352 HydrophobicContact CE2-CE2 4.19Å; F21-Y352 HydrophobicContact CE2-CG 4.25Å; F21-Y352 HydrophobicContact CZ-CD1 4.34Å; F21-Y352 HydrophobicContact CZ-CD2 4.15Å; F21-Y352 AromaticContact CZ-CG 3.97Å; F21-Y352 HydrophobicContact CZ-CG 3.97Å; C23-Y352 HydrophobicContact CB-CE2 4.47Å; Y32-Y352 HydrophobicContact CD2-CD2 4.27Å; Y32-Y352 HydrophobicContact CE1-CD2 4.46Å; Y32-Y352 VanDerWaalsContact CE1-O 3.26Å; Y32-Y352 WeakPolarHBondContact CE1-O 3.47Å; Y32-Y352 AromaticContact CE2-CD2 3.61Å; Y32-Y352 HydrophobicContact CE2-CD2 3.61Å; Y32-Y352 HydrophobicContact CE2-CE2 4.16Å; Y32-Y352 AromaticContact CZ-CD2 3.75Å; Y32-Y352 PolarHBondContact OH-O 3.4Å; I327-Y352 HydrophobicContact CG2-CD1 3.96Å; I327-Y352 HydrophobicContact CG2-CE1 3.54Å; C328-Y352 WeakPolarHBondContact O-CE1 3.34Å; C328-Y352 PolarHBondContact O-OH 3.01Å; G331-Y352 WeakPolarHBondContact O-CD1 3.43Å; G331-Y352 WeakPolarHBondContact O-CE1 3.18Å; G331-Y352 PolarHBondContact O-N 3.36Å; F333-Y352 HydrophobicContact CB-CD1 4.35Å; Y352-D354 VanDerWaalsContact C-N 3.28Å
353	L	92.5	Very high	78.5	Confident	9 Å²	9	88.4 Å²	88.4	5%	0.047	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-73.4	-20.1	176.2	-66.4	178.7	0	0	0	113.4	R7 V9 M25 R30 V351	R7-L353 HydrophobicContact CB-CD1 3.54Å; R7-L353 HydrophobicContact CG-CD1 4.23Å; V9-L353 HydrophobicContact CG2-CD1 3.98Å; M25-L353 HydrophobicContact CE-CD1 4.31Å; M25-L353 HydrophobicContact CE-CD2 3.5Å; M25-L353 VanDerWaalsContact CE-CD2 3.5Å; M25-L353 HydrophobicContact SD-CD2 3.81Å; R30-L353 PolarHBondContact NH1-O 2.84Å; V351-L353 PolarHBondContact O-N 2.67Å; V351-L353 VanDerWaalsContact O-N 3.1Å
354	D	91.9	Very high	77.7	Confident	69 Å²	69	88.3 Å²	88.3	37%	0.369	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-97.9	0.6	-176	-57	-11	0	0	0	111.6	R7 V351 Y352 C356	R7-D354 IonicContact CZ-OD1 3.7Å; R7-D354 IonicContact CZ-OD2 3.9Å; R7-D354 VanDerWaalsContact NH1-CG 3.32Å; R7-D354 IonicContact NH1-OD1 3.24Å; R7-D354 PolarHBondContact NH1-OD1 3.28Å; R7-D354 IonicContact NH1-OD2 2.77Å; R7-D354 PolarHBondContact NH1-OD2 2.97Å; R7-D354 IonicContact NH2-OD1 3.15Å; R7-D354 IonicContact NH2-OD2 3.23Å; R7-D354 PolarHBondContact NH2-OD2 3.47Å; R7-D354 VanDerWaalsContact NH2-OD2 3.15Å; V351-D354 HydrophobicContact CB-CB 4.36Å; V351-D354 HydrophobicContact CG1-CB 4.36Å; V351-D354 WeakPolarHBondContact CG1-OD2 3.35Å; V351-D354 PolarHBondContact O-N 3.15Å; Y352-D354 VanDerWaalsContact C-N 3.28Å; D354-C356 PolarHBondContact O-N 3.24Å
355	I	85	Confident	76.6	Confident	56 Å²	56	91.9 Å²	91.9	29%	0.287	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-17.5	-174.9	-70.5	178.9	0	0	0	113.6	L37	L37-I355 HydrophobicContact CD1-CD1 4.31Å; L37-I355 HydrophobicContact CD2-CD1 3.49Å; L37-I355 VanDerWaalsContact CD2-CD1 3.49Å; L37-I355 HydrophobicContact CG-CD1 3.51Å
356	C	61.4	Low	75.4	Confident	46 Å²	46	91.3 Å²	91.3	31%	0.311	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	7	-173.2	-72.3	0	0	0	0	114.7	E39 D354 D358	E39-C356 WeakPolarHBondContact CB-SG 3.43Å; E39-C356 PolarHBondContact OE2-SG 3.07Å; D354-C356 PolarHBondContact O-N 3.24Å; C356-D358 PolarHBondContact O-N 3.12Å
357	D	53.8	Low	74.1	Confident	112 Å²	112	87.4 Å²	87.4	60%	0.599	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	2	179.2	-70.1	-11.9	0	0	0	112.9
358	D	43.3	Very low	72.6	Confident	127 Å²	127	86.4 Å²	86.4	68%	0.679	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	1.7	-175.1	-78.9	-25.1	0	0	0	115.1	C356 D360	C356-D358 PolarHBondContact O-N 3.12Å; D358-D360 VanDerWaalsContact C-N 3.28Å; D358-D360 PolarHBondContact O-N 3.29Å
359	D	40.8	Very low	70.9	Confident	155 Å²	155	90.7 Å²	90.7	83%	0.829	47%	0.465	S	S	*	.			trans	-86.1	9.4	177.2	-82.1	-28.7	0	0	0	114.1
360	D	37.7	Very low	68.8	Low	147 Å²	147	90.8 Å²	90.8	79%	0.786	47%	0.471	S	S	*	.			trans	-100.6	71.1	169	-83.1	-26.1	0	0	0	111.4	D358	D358-D360 VanDerWaalsContact C-N 3.28Å; D358-D360 PolarHBondContact O-N 3.29Å
361	F	34.1	Very low	66.4	Low	263 Å²	263	92.7 Å²	92.7	100%	1.154	48%	0.48	S	S	*	.			trans	-142.3	0	161.2	-80.1	-71.6	0	0	0	114

Retrieved 361 of 361 residues in 69.2 ms (Link to these results)

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