A0A087YRR0_POEFO Loading...

V(D)J recombination-activating protein 2

Core component of the RAG complex, a multiprotein complex that mediates the DNA cleavage phase during V(D)J recombination. V(D)J recombination assembles a diverse repertoire of immunoglobulin and T-cell receptor genes in developing B and T lymphocytes through rearrangement of different V (variable), in some cases D (diversity), and J (joining) gene segments. DNA cleavage by the RAG complex occurs in 2 steps: a first nick is introduced in the top strand immediately upstream of the heptamer, generating a 3'-hydroxyl group that can attack the phosphodiester bond on the opposite strand in a direct transesterification reaction, thereby creating 4 DNA ends: 2 hairpin coding ends and 2 blunt, 5'-phosphorylated ends. In the RAG complex, rag2 is not the catalytic component but is required for all known catalytic activities mediated by RAG1. It probably acts as a sensor of chromatin state that recruits the RAG complex to H3K4me3.

AlphaFold DB (A0A3B3VLR8), UniProt , Accession A0A087YRR0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 533 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	86.8	Confident	90.5	Very high	81 Å²	81	54.2 Å²	54.2	40%	0.399	32%	0.321	S	S	.	.				0	147.6	0	-72.2	168.5	-88.6	0	0	108.6	L303 E304 S350 F351	M1-L303 HydrophobicContact CE-CD1 3.72Å; M1-L303 HydrophobicContact CE-CG 4.02Å; M1-L303 HydrophobicContact SD-CD1 4.11Å; M1-L303 HydrophobicContact SD-CD2 3.96Å; M1-L303 HydrophobicContact SD-CG 3.91Å; M1-E304 HydrophobicContact CE-CB 4.32Å; M1-E304 WeakPolarHBondContact CE-O 3.39Å; M1-E304 VanDerWaalsContact SD-O 3.34Å; M1-S350 CarbonylContact C-O 3.56Å; M1-S350 VanDerWaalsContact CA-O 3.27Å; M1-S350 WeakPolarHBondContact CA-O 3.33Å; M1-F351 HydrophobicContact CG-CD1 3.61Å; M1-F351 HydrophobicContact CG-CE1 4.2Å; M1-F351 HydrophobicContact CG-CG 4.38Å; M1-F351 HydrophobicContact SD-CD1 3.43Å; M1-F351 WeakPolarHBondContact SD-CD1 3.48Å; M1-F351 HydrophobicContact SD-CE1 3.62Å
2	T	91.1	Very high	89.2	Confident	69 Å²	69	55.1 Å²	55.1	42%	0.423	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	153.2	177.5	58.3	0	0	0	0	112.3	V349 S350	T2-V349 WeakPolarHBondContact O-CA 3.22Å; T2-S350 PolarHBondContact N-O 2.69Å; T2-S350 PolarHBondContact O-N 3.43Å
3	L	94.5	Very high	88.6	Confident	44 Å²	44	53.6 Å²	53.6	23%	0.23	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.4	172.4	177.5	69.8	0	0	0	107.6	P306 K307 W308 T309 I312 Y347 V349	L3-P306 HydrophobicContact CB-CB 4.22Å; L3-K307 VanDerWaalsContact CD2-O 3.3Å; L3-K307 WeakPolarHBondContact CD2-O 3.44Å; L3-W308 HydrophobicContact CD1-CZ3 4.33Å; L3-W308 HydrophobicContact CD2-CE3 4.15Å; L3-T309 HydrophobicContact CD2-CG2 4.14Å; L3-I312 HydrophobicContact CD1-CD1 4.23Å; L3-I312 HydrophobicContact CD2-CD1 3.98Å; L3-Y347 HydrophobicContact CD1-CD1 4.16Å; L3-Y347 HydrophobicContact CD1-CG 4.27Å; L3-Y347 HydrophobicContact CG-CD1 4.35Å; L3-V349 HydrophobicContact CD1-CG2 3.84Å
4	Q	94.8	Very high	88.6	Confident	74 Å²	74	51.6 Å²	51.6	35%	0.346	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	120.7	-175.8	176.1	177.2	3.2	0	0	109.3	L6 S53 Y347 H348	Q4-L6 HydrophobicContact CG-CD2 4.48Å; Q4-S53 PolarHBondContact NE2-OG 3.25Å; Q4-Y347 CarbonylContact O-C 3.53Å; Q4-Y347 WeakPolarHBondContact O-CA 3.43Å; Q4-H348 HydrophobicContact CB-CB 4.44Å; Q4-H348 PolarHBondContact N-O 2.91Å; Q4-H348 PolarHBondContact O-N 2.66Å
5	A	94.8	Very high	88.7	Confident	61 Å²	61	48.6 Å²	48.6	50%	0.504	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	144.2	171.4	0	0	0	0	0	110.5	Y347	A5-Y347 HydrophobicContact CB-CD1 3.97Å; A5-Y347 HydrophobicContact CB-CE1 3.86Å
6	L	94.4	Very high	89	Confident	11 Å²	11	46.9 Å²	46.9	6%	0.058	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	139.3	179	-58.7	-178.1	0	0	0	111.6	Q4 I50 S53 M55 L329 F346 H348	Q4-L6 HydrophobicContact CG-CD2 4.48Å; L6-I50 HydrophobicContact CD1-CD1 3.82Å; L6-I50 HydrophobicContact CD1-CG1 4.15Å; L6-I50 HydrophobicContact CD1-CG2 4.43Å; L6-I50 HydrophobicContact CD2-CG2 3.78Å; L6-S53 CarbonylContact C-O 3.54Å; L6-S53 WeakPolarHBondContact CA-O 3.49Å; L6-M55 HydrophobicContact CB-CB 4.45Å; L6-M55 HydrophobicContact CD1-CB 4.32Å; L6-L329 HydrophobicContact CD1-CD1 3.54Å; L6-F346 HydrophobicContact CB-CB 4.04Å; L6-F346 PolarHBondContact N-O 2.75Å; L6-H348 HydrophobicContact CD1-CB 4.11Å; L6-H348 HydrophobicContact CD2-CB 4.06Å; L6-H348 HydrophobicContact CG-CB 4.16Å
7	S	91.4	Very high	89.4	Confident	71 Å²	71	48.9 Å²	48.9	50%	0.497	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115	171.2	-59.8	0	0	0	0	109.8	S53 E54 M55	S7-S53 PolarHBondContact N-O 3.28Å; S7-E54 CarbonylContact O-C 3.57Å; S7-E54 WeakPolarHBondContact O-CA 3.33Å; S7-M55 PolarHBondContact O-N 3.23Å
8	P	89.9	Confident	89.7	Confident	25 Å²	25	47.2 Å²	47.2	16%	0.162	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	139.4	169.4	30.2	-34.1	0	0	0	109.7	C11 D342 F346	P8-C11 WeakPolarHBondContact CB-SG 3.49Å; P8-D342 HydrophobicContact CG-CB 4.41Å; P8-D342 VanDerWaalsContact CG-CG 3.47Å; P8-D342 WeakPolarHBondContact CG-OD1 3.16Å; P8-D342 WeakPolarHBondContact CG-OD2 3.37Å; P8-F346 HydrophobicContact CB-CD2 4.09Å; P8-F346 HydrophobicContact CB-CE2 4.1Å; P8-F346 HydrophobicContact CG-CD2 4.17Å; P8-F346 HydrophobicContact CG-CE2 4.3Å
9	V	89.9	Confident	90.1	Very high	72 Å²	72	45.5 Å²	45.5	44%	0.436	28%	0.283	S	S	.	.	S	Bend	trans	-119.8	-33.5	-179.9	-173.4	0	0	0	0	113.7	E54 M55 K56	V9-E54 HydrophobicContact CG2-CB 3.95Å; V9-E54 HydrophobicContact CG2-CG 4.12Å; V9-M55 PolarHBondContact N-O 3.21Å; V9-M55 VanDerWaalsContact N-O 3.07Å; V9-K56 HydrophobicContact CB-CD 4.41Å; V9-K56 HydrophobicContact CB-CG 3.87Å; V9-K56 VanDerWaalsContact CG1-CE 3.41Å; V9-K56 HydrophobicContact CG1-CG 4.46Å; V9-K56 HydrophobicContact CG2-CG 4.3Å
10	N	87.7	Confident	90.4	Very high	87 Å²	87	44 Å²	44	47%	0.465	27%	0.274	S	S	.	.	S	Bend	trans	-143.3	21.8	177	73.8	-25.4	0	0	0	113.2	K56 L57	N10-K56 WeakPolarHBondContact OD1-CA 3.34Å; N10-L57 PolarHBondContact ND2-O 3.05Å; N10-L57 PolarHBondContact OD1-N 2.64Å
11	C	80.7	Confident	90.8	Very high	1 Å²	1	43 Å²	43	1%	0.007	27%	0.267	C	S	.	.			trans	-117.3	0.9	-172.9	59	0	0	0	0	114.6	P8 G13 L14 L15 L57	P8-C11 WeakPolarHBondContact CB-SG 3.49Å; C11-G13 PolarHBondContact O-N 3.41Å; C11-L14 PolarHBondContact O-N 3.01Å; C11-L15 HydrophobicContact CB-CD1 3.96Å; C11-L57 HydrophobicContact CB-CB 4.4Å; C11-L57 HydrophobicContact CB-CD1 3.42Å; C11-L57 VanDerWaalsContact CB-CD1 3.42Å; C11-L57 HydrophobicContact CB-CG 3.61Å
12	T	74.4	Confident	91.2	Very high	65 Å²	65	39.2 Å²	39.2	40%	0.399	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.7	128.1	176.2	-50.8	0	0	0	0	110.8	L14 P341 D342	T12-L14 PolarHBondContact O-N 3.32Å; T12-P341 VanDerWaalsContact CG2-O 3.25Å; T12-P341 WeakPolarHBondContact CG2-O 3.39Å; T12-D342 WeakPolarHBondContact CB-OD1 3.13Å; T12-D342 WeakPolarHBondContact CG2-OD1 3.3Å; T12-D342 PolarHBondContact OG1-OD1 2.94Å
13	G	80.9	Confident	91.2	Very high	36 Å²	36	37 Å²	37	37%	0.371	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-5.1	-178.8	0	0	0	0	0	116.8	C11 K34	C11-G13 PolarHBondContact O-N 3.41Å; G13-K34 WeakPolarHBondContact O-CB 3.47Å; G13-K34 WeakPolarHBondContact O-CD 3.33Å
14	L	89.1	Confident	91	Very high	26 Å²	26	35 Å²	35	14%	0.136	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-36.6	176.4	-71.7	175.2	0	0	0	113.4	C11 T12 Q33 K34 F46 L57	C11-L14 PolarHBondContact O-N 3.01Å; T12-L14 PolarHBondContact O-N 3.32Å; L14-Q33 HydrophobicContact CD2-CB 4.46Å; L14-Q33 CarbonylContact O-C 3.53Å; L14-Q33 WeakPolarHBondContact O-CA 3.37Å; L14-K34 PolarHBondContact O-N 2.87Å; L14-F46 HydrophobicContact CD1-CE1 3.99Å; L14-F46 HydrophobicContact CD1-CE2 4.46Å; L14-F46 HydrophobicContact CD1-CZ 3.86Å; L14-F46 HydrophobicContact CD2-CZ 4.33Å; L14-L57 HydrophobicContact CB-CD1 4.34Å; L14-L57 HydrophobicContact CD1-CD1 3.96Å
15	L	90.8	Very high	90.6	Very high	6 Å²	6	34.3 Å²	34.3	3%	0.031	22%	0.221	C	C	.	.			trans	-78.5	146.5	176.9	-77.4	84.2	0	0	0	111.7	C11 L30 M55 L57 L329 F346	C11-L15 HydrophobicContact CB-CD1 3.96Å; L15-L30 HydrophobicContact CD1-CD2 3.65Å; L15-L30 HydrophobicContact CD2-CD1 4.4Å; L15-L30 HydrophobicContact CD2-CD2 4.48Å; L15-L30 HydrophobicContact CG-CD1 4.23Å; L15-L30 HydrophobicContact CG-CD2 3.76Å; L15-M55 HydrophobicContact CD1-CE 4.03Å; L15-M55 HydrophobicContact CD2-CE 3.91Å; L15-L57 HydrophobicContact CD1-CD1 4.04Å; L15-L329 HydrophobicContact CD2-CD2 4.34Å; L15-F346 HydrophobicContact CB-CE1 4.12Å; L15-F346 HydrophobicContact CB-CZ 4.04Å; L15-F346 HydrophobicContact CD1-CZ 4.49Å; L15-F346 HydrophobicContact CD2-CD1 4.33Å; L15-F346 HydrophobicContact CD2-CE1 3.59Å; L15-F346 HydrophobicContact CD2-CZ 4.12Å; L15-F346 HydrophobicContact CG-CE1 4.33Å; L15-F346 HydrophobicContact CG-CZ 4.43Å
16	Q	93.1	Very high	90	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.103	23%	0.231	C	C	.	.			trans	-153.8	156.3	-179.1	61.9	179.2	-7.7	0	0	111	G18 C19 G32 Q33 K34 R73 F319	Q16-G18 PolarHBondContact O-N 3.07Å; Q16-C19 WeakPolarHBondContact O-CB 3.34Å; Q16-C19 PolarHBondContact O-N 2.87Å; Q16-C19 PolarHBondContact O-SG 3.33Å; Q16-G32 PolarHBondContact NE2-O 3.15Å; Q16-Q33 VanDerWaalsContact NE2-C 3.25Å; Q16-Q33 PolarHBondContact NE2-O 3.15Å; Q16-K34 HydrophobicContact CB-CB 4.28Å; Q16-K34 VanDerWaalsContact CD-CA 3.49Å; Q16-K34 HydrophobicContact CG-CB 4.39Å; Q16-R73 HydrophobicContact CG-CG 4.44Å; Q16-R73 VanDerWaalsContact NE2-CG 3.27Å; Q16-F319 VanDerWaalsContact O-CE2 3.32Å; Q16-F319 WeakPolarHBondContact O-CE2 3.39Å
17	P	95	Very high	89.8	Confident	80 Å²	80	35.5 Å²	35.5	52%	0.519	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	131.3	169.1	-26.4	33.8	0	0	0	112.3	F319	P17-F319 HydrophobicContact CB-CD1 4.16Å; P17-F319 HydrophobicContact CB-CG 4.25Å; P17-F319 HydrophobicContact CG-CD1 3.72Å; P17-F319 HydrophobicContact CG-CE1 3.79Å; P17-F319 HydrophobicContact CG-CG 4.28Å; P17-F319 HydrophobicContact CG-CZ 4.39Å
18	G	95.1	Very high	90	Very high	18 Å²	18	33.3 Å²	33.3	19%	0.186	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.8	3.3	-179.3	0	0	0	0	0	116	Q16 R73 C74	Q16-G18 PolarHBondContact O-N 3.07Å; G18-R73 CarbonylContact O-C 3.43Å; G18-R73 WeakPolarHBondContact O-CA 3.2Å; G18-C74 WeakPolarHBondContact CA-SG 3.41Å; G18-C74 PolarHBondContact O-N 3.11Å
19	C	96.8	Very high	90.3	Very high	16 Å²	16	32.1 Å²	32.1	11%	0.108	21%	0.209	C	C	.	.			trans	-62.5	159.4	164.5	65.8	0	0	0	0	111.4	Q16 L30 F31	Q16-C19 WeakPolarHBondContact O-CB 3.34Å; Q16-C19 PolarHBondContact O-N 2.87Å; Q16-C19 PolarHBondContact O-SG 3.33Å; C19-L30 HydrophobicContact CB-CD1 3.89Å; C19-F31 WeakPolarHBondContact CA-O 3.31Å; C19-F31 WeakPolarHBondContact CB-O 3.33Å
20	S	97.8	Very high	90.7	Very high	15 Å²	15	28.8 Å²	28.8	11%	0.105	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	144.8	179.8	-53.5	0	0	0	0	111.6	F31	S20-F31 PolarHBondContact N-O 2.7Å; S20-F31 PolarHBondContact O-N 2.83Å
21	L	97.2	Very high	91.2	Very high	24 Å²	24	24.7 Å²	24.7	13%	0.126	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.1	167.4	-65.3	-179	0	0	0	109.9	I28 L29 L30 V48 S322 L329	L21-I28 HydrophobicContact CB-CG2 4.47Å; L21-I28 HydrophobicContact CD2-CG2 4.34Å; L21-L29 CarbonylContact C-O 3.55Å; L21-L29 VanDerWaalsContact CA-O 3.31Å; L21-L29 WeakPolarHBondContact CA-O 3.25Å; L21-L30 HydrophobicContact CD2-CB 4.12Å; L21-L30 HydrophobicContact CD2-CD1 3.9Å; L21-V48 HydrophobicContact CD2-CG2 4.08Å; L21-S322 WeakPolarHBondContact CB-O 3.48Å; L21-L329 HydrophobicContact CD1-CB 3.72Å; L21-L329 HydrophobicContact CD1-CD2 4.06Å; L21-L329 HydrophobicContact CD1-CG 4.47Å
22	L	95.4	Very high	91.9	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	136.4	-178.2	-39.2	176.7	0	0	0	108.6	I28 L29 F31 V77 Y90 I92 L109	L22-I28 CarbonylContact O-C 3.5Å; L22-I28 WeakPolarHBondContact O-CA 3.27Å; L22-L29 HydrophobicContact CB-CB 4.19Å; L22-L29 PolarHBondContact N-O 2.74Å; L22-L29 PolarHBondContact O-N 2.86Å; L22-F31 HydrophobicContact CD1-CB 4.48Å; L22-V77 HydrophobicContact CD2-CG1 3.4Å; L22-V77 VanDerWaalsContact CD2-CG1 3.4Å; L22-V77 HydrophobicContact CD2-CG2 4.48Å; L22-Y90 HydrophobicContact CB-CD2 4.09Å; L22-Y90 HydrophobicContact CB-CE1 4.31Å; L22-Y90 HydrophobicContact CB-CE2 3.77Å; L22-Y90 HydrophobicContact CB-CG 4.49Å; L22-Y90 HydrophobicContact CD2-CD1 3.94Å; L22-Y90 HydrophobicContact CD2-CE1 3.97Å; L22-Y90 HydrophobicContact CD2-CG 4.31Å; L22-I92 HydrophobicContact CD1-CD1 4.33Å; L22-L109 HydrophobicContact CD1-CD2 3.61Å
23	Q	92	Very high	92.9	Very high	23 Å²	23	21.7 Å²	21.7	11%	0.107	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	105.1	171.7	-179.6	-178.6	28.4	0	0	107.5	I28 Y90 D325	Q23-I28 HydrophobicContact CB-CD1 3.76Å; Q23-I28 HydrophobicContact CG-CD1 3.79Å; Q23-Y90 PolarHBondContact N-OH 2.95Å; Q23-Y90 WeakPolarHBondContact O-CE2 3.39Å; Q23-Y90 PolarHBondContact O-OH 3.44Å; Q23-D325 PolarHBondContact NE2-OD1 3.03Å
24	L	90.4	Very high	93.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	118	-174.6	-178.2	56.8	0	0	0	110.3	G26 E27 L29 E88 Y90 L122	L24-G26 PolarHBondContact O-N 3Å; L24-E27 PolarHBondContact N-O 2.85Å; L24-E27 PolarHBondContact O-N 2.86Å; L24-L29 HydrophobicContact CB-CD1 3.85Å; L24-L29 HydrophobicContact CD2-CD1 3.96Å; L24-L29 HydrophobicContact CG-CD1 4.44Å; L24-E88 WeakPolarHBondContact CA-OE2 3.45Å; L24-E88 HydrophobicContact CD1-CB 3.99Å; L24-E88 HydrophobicContact CD1-CG 3.76Å; L24-E88 VanDerWaalsContact CD1-O 3.25Å; L24-E88 WeakPolarHBondContact CD1-O 3.46Å; L24-Y90 HydrophobicContact CB-CE2 4.44Å; L24-L122 HydrophobicContact CD2-CD2 3.61Å
25	D	85.3	Confident	93.6	Very high	59 Å²	59	25.8 Å²	25.8	32%	0.316	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	41.4	-179	-172.5	50.6	0	0	0	113	E27 E88 M111 R114	D25-E27 PolarHBondContact O-N 2.99Å; D25-E27 VanDerWaalsContact O-N 3.15Å; D25-E88 PolarHBondContact N-OE2 3.21Å; D25-M111 HydrophobicContact CB-CE 3.85Å; D25-M111 VanDerWaalsContact CG-CE 3.47Å; D25-R114 PolarHBondContact O-NH2 2.79Å; D25-R114 IonicContact OD2-CZ 3.14Å; D25-R114 IonicContact OD2-NE 2.7Å; D25-R114 PolarHBondContact OD2-NE 2.85Å; D25-R114 IonicContact OD2-NH2 2.74Å; D25-R114 PolarHBondContact OD2-NH2 2.99Å
26	G	83.8	Confident	93.9	Very high	68 Å²	68	31.4 Å²	31.4	70%	0.701	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	3.2	177.7	0	0	0	0	0	116	L24	L24-G26 PolarHBondContact O-N 3Å
27	E	90.3	Very high	93.8	Very high	29 Å²	29	32.3 Å²	32.3	14%	0.136	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	143.1	164	-61.3	-144.2	-134.9	0	0	110.5	L24 D25 R49 R114	L24-E27 PolarHBondContact N-O 2.85Å; L24-E27 PolarHBondContact O-N 2.86Å; D25-E27 PolarHBondContact O-N 2.99Å; D25-E27 VanDerWaalsContact O-N 3.15Å; E27-R49 VanDerWaalsContact CD-NH2 3.25Å; E27-R49 IonicContact OE1-CZ 3.38Å; E27-R49 IonicContact OE1-NH2 2.67Å; E27-R49 PolarHBondContact OE1-NH2 3.47Å; E27-R49 IonicContact OE2-CZ 3.28Å; E27-R49 VanDerWaalsContact OE2-CZ 3.31Å; E27-R49 IonicContact OE2-NE 3.44Å; E27-R49 PolarHBondContact OE2-NE 3.43Å; E27-R49 IonicContact OE2-NH2 4Å; E27-R49 PolarHBondContact OE2-NH2 3.16Å; E27-R114 IonicContact OE1-NH1 3.15Å; E27-R114 PolarHBondContact OE1-NH1 2.81Å; E27-R114 VanDerWaalsContact OE1-NH1 3.15Å
28	I	94.7	Very high	93.6	Very high	26 Å²	26	35 Å²	35	13%	0.133	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.3	174.2	-56.3	-54.9	0	0	0	108.3	L21 L22 Q23 G47 V48 A323	L21-I28 HydrophobicContact CB-CG2 4.47Å; L21-I28 HydrophobicContact CD2-CG2 4.34Å; L22-I28 CarbonylContact O-C 3.5Å; L22-I28 WeakPolarHBondContact O-CA 3.27Å; Q23-I28 HydrophobicContact CB-CD1 3.76Å; Q23-I28 HydrophobicContact CG-CD1 3.79Å; I28-G47 CarbonylContact O-C 3.6Å; I28-G47 WeakPolarHBondContact O-CA 3.25Å; I28-V48 HydrophobicContact CB-CB 4.22Å; I28-V48 HydrophobicContact CG2-CB 4.13Å; I28-V48 HydrophobicContact CG2-CG2 4.29Å; I28-V48 PolarHBondContact O-N 3.14Å; I28-A323 VanDerWaalsContact CD1-C 3.47Å; I28-A323 VanDerWaalsContact CD1-O 3.25Å; I28-A323 WeakPolarHBondContact CD1-O 3.37Å; I28-A323 WeakPolarHBondContact CG1-O 3.25Å
29	L	96.6	Very high	93.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.7	-176.6	-53.8	176.8	0	0	0	110.4	L21 L22 L24 V45 F46 I60 L120 L122	L21-L29 CarbonylContact C-O 3.55Å; L21-L29 VanDerWaalsContact CA-O 3.31Å; L21-L29 WeakPolarHBondContact CA-O 3.25Å; L22-L29 HydrophobicContact CB-CB 4.19Å; L22-L29 PolarHBondContact N-O 2.74Å; L22-L29 PolarHBondContact O-N 2.86Å; L24-L29 HydrophobicContact CB-CD1 3.85Å; L24-L29 HydrophobicContact CD2-CD1 3.96Å; L24-L29 HydrophobicContact CG-CD1 4.44Å; L29-V45 HydrophobicContact CB-CG1 4.39Å; L29-F46 CarbonylContact C-O 3.55Å; L29-F46 WeakPolarHBondContact CA-O 3.36Å; L29-I60 HydrophobicContact CD2-CD1 4.44Å; L29-I60 HydrophobicContact CD2-CG1 4.21Å; L29-L120 HydrophobicContact CD2-CD2 4.17Å; L29-L122 HydrophobicContact CD1-CD1 3.76Å; L29-L122 HydrophobicContact CD1-CD2 4.32Å
30	L	97.4	Very high	92.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.2	165.1	177.2	70.5	0	0	0	109.6	L15 C19 L21 V45 F46 V48 L57	L15-L30 HydrophobicContact CD1-CD2 3.65Å; L15-L30 HydrophobicContact CD2-CD1 4.4Å; L15-L30 HydrophobicContact CD2-CD2 4.48Å; L15-L30 HydrophobicContact CG-CD1 4.23Å; L15-L30 HydrophobicContact CG-CD2 3.76Å; C19-L30 HydrophobicContact CB-CD1 3.89Å; L21-L30 HydrophobicContact CD2-CB 4.12Å; L21-L30 HydrophobicContact CD2-CD1 3.9Å; L30-V45 WeakPolarHBondContact O-CA 3.44Å; L30-F46 HydrophobicContact CB-CB 4.43Å; L30-F46 PolarHBondContact N-O 3.35Å; L30-F46 PolarHBondContact O-N 3Å; L30-V48 HydrophobicContact CB-CG2 3.74Å; L30-L57 HydrophobicContact CB-CD2 4.24Å; L30-L57 HydrophobicContact CD2-CD1 3.69Å; L30-L57 HydrophobicContact CD2-CD2 3.98Å
31	F	98.1	Very high	92.6	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.009	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.4	170.5	169.8	-113.7	0	0	0	110.3	C19 S20 L22 V45 L69 P70 L72 P75 I92	C19-F31 WeakPolarHBondContact CA-O 3.31Å; C19-F31 WeakPolarHBondContact CB-O 3.33Å; S20-F31 PolarHBondContact N-O 2.7Å; S20-F31 PolarHBondContact O-N 2.83Å; L22-F31 HydrophobicContact CD1-CB 4.48Å; F31-V45 HydrophobicContact CD2-CG2 4Å; F31-L69 HydrophobicContact CE1-CD1 4.14Å; F31-L69 HydrophobicContact CE2-CD1 3.69Å; F31-L69 HydrophobicContact CE2-CD2 4.05Å; F31-L69 HydrophobicContact CE2-CG 3.69Å; F31-L69 HydrophobicContact CZ-CD1 3.46Å; F31-L69 VanDerWaalsContact CZ-CD1 3.46Å; F31-L69 HydrophobicContact CZ-CG 3.87Å; F31-P70 WeakPolarHBondContact CE2-O 3.43Å; F31-P70 VanDerWaalsContact CZ-O 3.27Å; F31-P70 WeakPolarHBondContact CZ-O 3.27Å; F31-L72 HydrophobicContact CE1-CB 3.92Å; F31-L72 HydrophobicContact CE1-CD1 4.37Å; F31-L72 HydrophobicContact CZ-CB 3.84Å; F31-L72 HydrophobicContact CZ-CD1 4.02Å; F31-L72 HydrophobicContact CZ-CG 4.1Å; F31-P75 HydrophobicContact CE1-CG 4.33Å; F31-I92 HydrophobicContact CD1-CD1 4.13Å; F31-I92 HydrophobicContact CE1-CD1 4.22Å; F31-I92 HydrophobicContact CE1-CG2 4Å
32	G	96.7	Very high	92.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	81.6	42.9	-179.1	0	0	0	0	0	113.5	Q16 L72	Q16-G32 PolarHBondContact NE2-O 3.15Å; G32-L72 WeakPolarHBondContact CA-O 3.11Å
33	Q	95.1	Very high	92.3	Very high	3 Å²	3	51 Å²	51	1%	0.014	27%	0.27	C	S	.	.			trans	-56.6	156.7	174.3	60.9	145.6	93.1	0	0	113.5	L14 Q16 W36 F46 P71	L14-Q33 HydrophobicContact CD2-CB 4.46Å; L14-Q33 CarbonylContact O-C 3.53Å; L14-Q33 WeakPolarHBondContact O-CA 3.37Å; Q16-Q33 VanDerWaalsContact NE2-C 3.25Å; Q16-Q33 PolarHBondContact NE2-O 3.15Å; Q33-W36 PolarHBondContact NE2-O 2.82Å; Q33-F46 HydrophobicContact CB-CE2 4.14Å; Q33-F46 HydrophobicContact CG-CE2 4.34Å; Q33-P71 HydrophobicContact CG-CB 4.03Å; Q33-P71 HydrophobicContact CG-CG 3.89Å; Q33-P71 WeakPolarHBondContact O-CB 3.09Å
34	K	93.1	Very high	92.4	Very high	113 Å²	113	50 Å²	50	49%	0.491	27%	0.266	S	S	.	.	S	Bend	trans	-64.8	133.3	173.6	-165.4	175.9	-177.6	178.3	0	111.3	G13 L14 Q16	G13-K34 WeakPolarHBondContact O-CB 3.47Å; G13-K34 WeakPolarHBondContact O-CD 3.33Å; L14-K34 PolarHBondContact O-N 2.87Å; Q16-K34 HydrophobicContact CB-CB 4.28Å; Q16-K34 VanDerWaalsContact CD-CA 3.49Å; Q16-K34 HydrophobicContact CG-CB 4.39Å
35	G	92	Very high	92.7	Very high	35 Å²	35	50 Å²	50	36%	0.361	27%	0.265	S	S	.	.	S	Bend	trans	68.1	-172.8	-176.5	0	0	0	0	0	113.7	P98	G35-P98 WeakPolarHBondContact O-CG 3.29Å
36	W	95.4	Very high	93.3	Very high	124 Å²	124	47.8 Å²	47.8	47%	0.47	25%	0.253	S	S	.	.	S	Bend	trans	-74.5	157.5	172.9	-72.2	99.7	0	0	0	111.6	Q33 P70 P98 N99	Q33-W36 PolarHBondContact NE2-O 2.82Å; W36-P70 HydrophobicContact CH2-CB 4.04Å; W36-P70 HydrophobicContact CZ3-CB 3.77Å; W36-P98 HydrophobicContact CD2-CB 4.21Å; W36-P98 HydrophobicContact CD2-CG 3.82Å; W36-P98 HydrophobicContact CE3-CG 4.25Å; W36-P98 HydrophobicContact CG-CB 4.14Å; W36-P98 HydrophobicContact CG-CG 4.06Å; W36-P98 HydrophobicContact CZ2-CG 4.32Å; W36-N99 PolarHBondContact NE1-OD1 3.13Å
37	P	92.4	Very high	93.9	Very high	40 Å²	40	44.6 Å²	44.6	26%	0.26	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-56.3	145.9	175.5	-23.1	35.2	0	0	0	112	C41 P42 P71	P37-C41 WeakPolarHBondContact CB-O 3.39Å; P37-P42 VanDerWaalsContact CB-O 3.26Å; P37-P42 WeakPolarHBondContact CB-O 3.44Å; P37-P71 HydrophobicContact CG-CG 3.86Å
38	K	89.5	Confident	94.1	Very high	136 Å²	136	43.9 Å²	43.9	59%	0.591	22%	0.218	S	C	*	.	B	Isolated β-bridge	trans	-103.8	163.3	178.4	-65.2	-175.7	178.9	-178.1	0	110.2	S40 C41	K38-S40 PolarHBondContact O-N 2.94Å; K38-S40 VanDerWaalsContact O-N 3.11Å; K38-C41 CarbonylContact O-C 3.5Å; K38-C41 PolarHBondContact O-N 3Å
39	R	87.3	Confident	94	Very high	238 Å²	238	47.4 Å²	47.4	90%	0.898	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.5	175.2	-75.6	-163.1	-80.1	-178.2	-3.5	113.5	C41	R39-C41 PolarHBondContact O-N 2.77Å
40	S	88	Confident	93.8	Very high	98 Å²	98	50.1 Å²	50.1	69%	0.685	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12.9	175.5	53.8	0	0	0	0	115.5	K38	K38-S40 PolarHBondContact O-N 2.94Å; K38-S40 VanDerWaalsContact O-N 3.11Å
41	C	93.1	Very high	93.5	Very high	1 Å²	1	57 Å²	57	1%	0.007	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-160.8	81.2	171.4	-171.8	0	0	0	0	109.5	P37 K38 R39 T43 G44 V45 F46 A59	P37-C41 WeakPolarHBondContact CB-O 3.39Å; K38-C41 CarbonylContact O-C 3.5Å; K38-C41 PolarHBondContact O-N 3Å; R39-C41 PolarHBondContact O-N 2.77Å; C41-T43 PolarHBondContact O-N 3.14Å; C41-G44 PolarHBondContact O-N 3.23Å; C41-G44 VanDerWaalsContact O-N 3.13Å; C41-V45 PolarHBondContact SG-O 3.48Å; C41-F46 HydrophobicContact CB-CD1 4.29Å; C41-F46 HydrophobicContact CB-CE1 3.4Å; C41-F46 HydrophobicContact CB-CE2 4.31Å; C41-F46 HydrophobicContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact SG-CE1 3.54Å; C41-F46 VanDerWaalsContact SG-CZ 3.55Å; C41-A59 HydrophobicContact CB-CB 3.82Å
42	P	92	Very high	93.2	Very high	71 Å²	71	65.4 Å²	65.4	46%	0.461	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.4	-171.5	27.4	-35	0	0	0	113.3	P37 Y68	P37-P42 VanDerWaalsContact CB-O 3.26Å; P37-P42 WeakPolarHBondContact CB-O 3.44Å; P42-Y68 HydrophobicContact CB-CE1 4.23Å; P42-Y68 WeakPolarHBondContact O-CD1 3.34Å; P42-Y68 WeakPolarHBondContact O-CE1 3.48Å
43	T	94.6	Very high	92.9	Very high	4 Å²	4	67.4 Å²	67.4	3%	0.025	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-20.6	175.1	57.7	0	0	0	0	113.2	C41 V45 I60 F62 Y68	C41-T43 PolarHBondContact O-N 3.14Å; T43-V45 PolarHBondContact O-N 2.84Å; T43-V45 PolarHBondContact OG1-N 3.21Å; T43-I60 VanDerWaalsContact CG2-O 3.26Å; T43-I60 WeakPolarHBondContact CG2-O 3.26Å; T43-I60 PolarHBondContact OG1-O 3.41Å; T43-F62 HydrophobicContact CG2-CB 3.99Å; T43-F62 HydrophobicContact CG2-CD1 3.54Å; T43-F62 HydrophobicContact CG2-CD2 4.08Å; T43-F62 HydrophobicContact CG2-CE1 4Å; T43-F62 HydrophobicContact CG2-CE2 4.49Å; T43-F62 HydrophobicContact CG2-CG 3.58Å; T43-F62 HydrophobicContact CG2-CZ 4.46Å; T43-Y68 HydrophobicContact CG2-CE1 3.93Å
44	G	95.1	Very high	92.8	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.01	34%	0.341	C	S	.	.			trans	64.6	13.1	-171.4	0	0	0	0	0	114.9	C41	C41-G44 PolarHBondContact O-N 3.23Å; C41-G44 VanDerWaalsContact O-N 3.13Å
45	V	97.3	Very high	92.9	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.318	C	S	.	.			trans	-113.5	132.4	179.6	179.9	0	0	0	0	109.9	L29 L30 F31 C41 T43 I60 F62 L122	L29-V45 HydrophobicContact CB-CG1 4.39Å; L30-V45 WeakPolarHBondContact O-CA 3.44Å; F31-V45 HydrophobicContact CD2-CG2 4Å; C41-V45 PolarHBondContact SG-O 3.48Å; T43-V45 PolarHBondContact O-N 2.84Å; T43-V45 PolarHBondContact OG1-N 3.21Å; V45-I60 HydrophobicContact CB-CB 4.49Å; V45-I60 HydrophobicContact CG1-CB 4.26Å; V45-I60 HydrophobicContact CG1-CG1 4.41Å; V45-I60 WeakPolarHBondContact O-CB 3.44Å; V45-I60 PolarHBondContact O-N 3Å; V45-F62 HydrophobicContact CB-CE1 4.34Å; V45-F62 HydrophobicContact CG2-CE1 4.01Å; V45-F62 HydrophobicContact CG2-CZ 3.98Å; V45-L122 HydrophobicContact CG1-CD1 3.93Å
46	F	96.9	Very high	93	Very high	14 Å²	14	67.3 Å²	67.3	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.6	-173.9	-58.2	-99.4	0	0	0	112.1	L14 L29 L30 Q33 C41 V48 L57 R58	L14-F46 HydrophobicContact CD1-CE1 3.99Å; L14-F46 HydrophobicContact CD1-CE2 4.46Å; L14-F46 HydrophobicContact CD1-CZ 3.86Å; L14-F46 HydrophobicContact CD2-CZ 4.33Å; L29-F46 CarbonylContact C-O 3.55Å; L29-F46 WeakPolarHBondContact CA-O 3.36Å; L30-F46 HydrophobicContact CB-CB 4.43Å; L30-F46 PolarHBondContact N-O 3.35Å; L30-F46 PolarHBondContact O-N 3Å; Q33-F46 HydrophobicContact CB-CE2 4.14Å; Q33-F46 HydrophobicContact CG-CE2 4.34Å; C41-F46 HydrophobicContact CB-CD1 4.29Å; C41-F46 HydrophobicContact CB-CE1 3.4Å; C41-F46 HydrophobicContact CB-CE2 4.31Å; C41-F46 HydrophobicContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact CB-CZ 3.41Å; C41-F46 VanDerWaalsContact SG-CE1 3.54Å; C41-F46 VanDerWaalsContact SG-CZ 3.55Å; F46-V48 PolarHBondContact O-N 2.64Å; F46-L57 HydrophobicContact CB-CB 4.01Å; F46-L57 HydrophobicContact CB-CD1 4.26Å; F46-L57 HydrophobicContact CB-CD2 3.86Å; F46-L57 HydrophobicContact CB-CG 4.25Å; F46-L57 HydrophobicContact CD1-CB 3.99Å; F46-L57 HydrophobicContact CD1-CD1 4.37Å; F46-L57 HydrophobicContact CG-CB 4.26Å; F46-L57 HydrophobicContact CG-CD1 4.19Å; F46-R58 CarbonylContact C-O 3.57Å; F46-R58 VanDerWaalsContact CA-O 3.24Å; F46-R58 WeakPolarHBondContact CA-O 3.39Å
47	G	95.9	Very high	92.9	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	120	166.6	0	0	0	0	0	110.3	I28 L57 R58 I60	I28-G47 CarbonylContact O-C 3.6Å; I28-G47 WeakPolarHBondContact O-CA 3.25Å; G47-L57 WeakPolarHBondContact O-CA 3.42Å; G47-R58 PolarHBondContact N-O 3.3Å; G47-R58 PolarHBondContact O-N 3.49Å; G47-I60 VanDerWaalsContact N-CG1 3.34Å
48	V	95.4	Very high	93	Very high	14 Å²	14	63.9 Å²	63.9	9%	0.085	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	122.7	175	-177.9	0	0	0	0	109	L21 I28 L30 F46 I50 M55 L57	L21-V48 HydrophobicContact CD2-CG2 4.08Å; I28-V48 HydrophobicContact CB-CB 4.22Å; I28-V48 HydrophobicContact CG2-CB 4.13Å; I28-V48 HydrophobicContact CG2-CG2 4.29Å; I28-V48 PolarHBondContact O-N 3.14Å; L30-V48 HydrophobicContact CB-CG2 3.74Å; F46-V48 PolarHBondContact O-N 2.64Å; V48-I50 HydrophobicContact CG1-CG1 4.32Å; V48-M55 HydrophobicContact CG1-CE 3.96Å; V48-M55 HydrophobicContact CG1-CG 4.49Å; V48-L57 HydrophobicContact CB-CD2 4.37Å; V48-L57 HydrophobicContact CG2-CD2 3.74Å
49	R	93.3	Very high	93.2	Very high	100 Å²	100	59.4 Å²	59.4	38%	0.377	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	117.9	176.8	-68.6	-176.9	169.4	-166.3	-5.4	109.9	E27 K56	E27-R49 VanDerWaalsContact CD-NH2 3.25Å; E27-R49 IonicContact OE1-CZ 3.38Å; E27-R49 IonicContact OE1-NH2 2.67Å; E27-R49 PolarHBondContact OE1-NH2 3.47Å; E27-R49 IonicContact OE2-CZ 3.28Å; E27-R49 VanDerWaalsContact OE2-CZ 3.31Å; E27-R49 IonicContact OE2-NE 3.44Å; E27-R49 PolarHBondContact OE2-NE 3.43Å; E27-R49 IonicContact OE2-NH2 4Å; E27-R49 PolarHBondContact OE2-NH2 3.16Å; R49-K56 PolarHBondContact N-O 3.13Å; R49-K56 PolarHBondContact O-N 3.29Å
50	I	92.4	Very high	93.6	Very high	56 Å²	56	48.4 Å²	48.4	29%	0.287	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.8	176.3	-60.4	169.8	0	0	0	108.2	L6 V48 E54	L6-I50 HydrophobicContact CD1-CD1 3.82Å; L6-I50 HydrophobicContact CD1-CG1 4.15Å; L6-I50 HydrophobicContact CD1-CG2 4.43Å; L6-I50 HydrophobicContact CD2-CG2 3.78Å; V48-I50 HydrophobicContact CG1-CG1 4.32Å; I50-E54 VanDerWaalsContact CA-O 3.28Å; I50-E54 WeakPolarHBondContact CA-O 3.49Å
51	K	91.1	Very high	93.8	Very high	147 Å²	147	45.8 Å²	45.8	64%	0.639	23%	0.228	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149	132.8	175.9	-71.4	-165.9	174.5	-167.8	0	110.2	S53 E54	K51-S53 PolarHBondContact O-N 2.94Å; K51-E54 PolarHBondContact N-O 2.86Å; K51-E54 WeakPolarHBondContact O-CA 3.28Å; K51-E54 WeakPolarHBondContact O-CB 3.45Å; K51-E54 PolarHBondContact O-N 2.84Å
52	H	89.8	Confident	94	Very high	178 Å²	178	46.6 Å²	46.6	82%	0.824	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	42.1	177.7	-43.7	128.8	0	0	0	113.5	E54	H52-E54 PolarHBondContact O-N 2.97Å; H52-E54 VanDerWaalsContact O-N 3.14Å
53	S	91.1	Very high	94	Very high	42 Å²	42	43.8 Å²	43.8	29%	0.294	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	-6.5	-170.8	-49.9	0	0	0	0	116.6	Q4 L6 S7 K51	Q4-S53 PolarHBondContact NE2-OG 3.25Å; L6-S53 CarbonylContact C-O 3.54Å; L6-S53 WeakPolarHBondContact CA-O 3.49Å; S7-S53 PolarHBondContact N-O 3.28Å; K51-S53 PolarHBondContact O-N 2.94Å
54	E	93.9	Very high	93.9	Very high	70 Å²	70	52 Å²	52	33%	0.327	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.2	171	-57.9	-178.6	126.1	0	0	111.3	S7 V9 I50 K51 H52 K56	S7-E54 CarbonylContact O-C 3.57Å; S7-E54 WeakPolarHBondContact O-CA 3.33Å; V9-E54 HydrophobicContact CG2-CB 3.95Å; V9-E54 HydrophobicContact CG2-CG 4.12Å; I50-E54 VanDerWaalsContact CA-O 3.28Å; I50-E54 WeakPolarHBondContact CA-O 3.49Å; K51-E54 PolarHBondContact N-O 2.86Å; K51-E54 WeakPolarHBondContact O-CA 3.28Å; K51-E54 WeakPolarHBondContact O-CB 3.45Å; K51-E54 PolarHBondContact O-N 2.84Å; H52-E54 PolarHBondContact O-N 2.97Å; H52-E54 VanDerWaalsContact O-N 3.14Å; E54-K56 IonicContact OE1-NZ 2.94Å; E54-K56 PolarHBondContact OE1-NZ 2.89Å; E54-K56 WeakPolarHBondContact OE2-CE 3.48Å; E54-K56 IonicContact OE2-NZ 3.36Å; E54-K56 PolarHBondContact OE2-NZ 2.93Å
55	M	93.8	Very high	93.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.6	167.1	-177.6	-178.2	170.9	0	0	110.2	L6 S7 V9 L15 V48 L57 L329 F346	L6-M55 HydrophobicContact CB-CB 4.45Å; L6-M55 HydrophobicContact CD1-CB 4.32Å; S7-M55 PolarHBondContact O-N 3.23Å; V9-M55 PolarHBondContact N-O 3.21Å; V9-M55 VanDerWaalsContact N-O 3.07Å; L15-M55 HydrophobicContact CD1-CE 4.03Å; L15-M55 HydrophobicContact CD2-CE 3.91Å; V48-M55 HydrophobicContact CG1-CE 3.96Å; V48-M55 HydrophobicContact CG1-CG 4.49Å; M55-L57 HydrophobicContact CE-CD2 4.18Å; M55-L329 HydrophobicContact CE-CD2 3.71Å; M55-L329 HydrophobicContact SD-CD1 4.31Å; M55-L329 HydrophobicContact SD-CD2 4.02Å; M55-F346 HydrophobicContact SD-CG 4.44Å
56	K	94.4	Very high	93.7	Very high	78 Å²	78	56.6 Å²	56.6	34%	0.339	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.4	178.2	-76.7	165.6	178.5	162.4	0	110.5	V9 N10 R49 E54	V9-K56 HydrophobicContact CB-CD 4.41Å; V9-K56 HydrophobicContact CB-CG 3.87Å; V9-K56 VanDerWaalsContact CG1-CE 3.41Å; V9-K56 HydrophobicContact CG1-CG 4.46Å; V9-K56 HydrophobicContact CG2-CG 4.3Å; N10-K56 WeakPolarHBondContact OD1-CA 3.34Å; R49-K56 PolarHBondContact N-O 3.13Å; R49-K56 PolarHBondContact O-N 3.29Å; E54-K56 IonicContact OE1-NZ 2.94Å; E54-K56 PolarHBondContact OE1-NZ 2.89Å; E54-K56 WeakPolarHBondContact OE2-CE 3.48Å; E54-K56 IonicContact OE2-NZ 3.36Å; E54-K56 PolarHBondContact OE2-NZ 2.93Å
57	L	94.7	Very high	93.6	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.052	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	136.3	172.2	-70	-178	0	0	0	110.4	N10 C11 L14 L15 L30 F46 G47 V48 M55	N10-L57 PolarHBondContact ND2-O 3.05Å; N10-L57 PolarHBondContact OD1-N 2.64Å; C11-L57 HydrophobicContact CB-CB 4.4Å; C11-L57 HydrophobicContact CB-CD1 3.42Å; C11-L57 VanDerWaalsContact CB-CD1 3.42Å; C11-L57 HydrophobicContact CB-CG 3.61Å; L14-L57 HydrophobicContact CB-CD1 4.34Å; L14-L57 HydrophobicContact CD1-CD1 3.96Å; L15-L57 HydrophobicContact CD1-CD1 4.04Å; L30-L57 HydrophobicContact CB-CD2 4.24Å; L30-L57 HydrophobicContact CD2-CD1 3.69Å; L30-L57 HydrophobicContact CD2-CD2 3.98Å; F46-L57 HydrophobicContact CB-CB 4.01Å; F46-L57 HydrophobicContact CB-CD1 4.26Å; F46-L57 HydrophobicContact CB-CD2 3.86Å; F46-L57 HydrophobicContact CB-CG 4.25Å; F46-L57 HydrophobicContact CD1-CB 3.99Å; F46-L57 HydrophobicContact CD1-CD1 4.37Å; F46-L57 HydrophobicContact CG-CB 4.26Å; F46-L57 HydrophobicContact CG-CD1 4.19Å; G47-L57 WeakPolarHBondContact O-CA 3.42Å; V48-L57 HydrophobicContact CB-CD2 4.37Å; V48-L57 HydrophobicContact CG2-CD2 3.74Å; M55-L57 HydrophobicContact CE-CD2 4.18Å
58	R	94.2	Very high	93.3	Very high	83 Å²	83	64.4 Å²	64.4	31%	0.313	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.3	173.7	-173.8	-173.6	-170.8	-166.9	4.5	109.5	F46 G47 I60	F46-R58 CarbonylContact C-O 3.57Å; F46-R58 VanDerWaalsContact CA-O 3.24Å; F46-R58 WeakPolarHBondContact CA-O 3.39Å; G47-R58 PolarHBondContact N-O 3.3Å; G47-R58 PolarHBondContact O-N 3.49Å; R58-I60 PolarHBondContact O-N 2.76Å
59	A	94.2	Very high	93.1	Very high	41 Å²	41	64 Å²	64	34%	0.339	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	136.3	175	0	0	0	0	0	111.8	C41	C41-A59 HydrophobicContact CB-CB 3.82Å
60	I	94.6	Very high	93.3	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.041	30%	0.304	C	S	.	.			trans	-109	136.1	179.3	-58.5	-63.6	0	0	0	109.6	L29 T43 V45 G47 R58 L122	L29-I60 HydrophobicContact CD2-CD1 4.44Å; L29-I60 HydrophobicContact CD2-CG1 4.21Å; T43-I60 VanDerWaalsContact CG2-O 3.26Å; T43-I60 WeakPolarHBondContact CG2-O 3.26Å; T43-I60 PolarHBondContact OG1-O 3.41Å; V45-I60 HydrophobicContact CB-CB 4.49Å; V45-I60 HydrophobicContact CG1-CB 4.26Å; V45-I60 HydrophobicContact CG1-CG1 4.41Å; V45-I60 WeakPolarHBondContact O-CB 3.44Å; V45-I60 PolarHBondContact O-N 3Å; G47-I60 VanDerWaalsContact N-CG1 3.34Å; R58-I60 PolarHBondContact O-N 2.76Å; I60-L122 HydrophobicContact CG2-CD1 3.63Å; I60-L122 HydrophobicContact CG2-CG 3.7Å
61	S	93.3	Very high	93.5	Very high	43 Å²	43	57.7 Å²	57.7	30%	0.301	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	150.2	178.4	-64.8	0	0	0	0	111.2	K119 T121 L122	S61-K119 VanDerWaalsContact OG-CE 3.29Å; S61-K119 WeakPolarHBondContact OG-CE 3.45Å; S61-K119 PolarHBondContact OG-NZ 2.89Å; S61-T121 WeakPolarHBondContact O-CA 3.34Å; S61-L122 PolarHBondContact O-N 2.84Å
62	F	95.3	Very high	93.9	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	158.7	171.7	-79.3	9.8	0	0	0	110.9	T43 V45 L69 L109 L122 C124	T43-F62 HydrophobicContact CG2-CB 3.99Å; T43-F62 HydrophobicContact CG2-CD1 3.54Å; T43-F62 HydrophobicContact CG2-CD2 4.08Å; T43-F62 HydrophobicContact CG2-CE1 4Å; T43-F62 HydrophobicContact CG2-CE2 4.49Å; T43-F62 HydrophobicContact CG2-CG 3.58Å; T43-F62 HydrophobicContact CG2-CZ 4.46Å; V45-F62 HydrophobicContact CB-CE1 4.34Å; V45-F62 HydrophobicContact CG2-CE1 4.01Å; V45-F62 HydrophobicContact CG2-CZ 3.98Å; F62-L69 HydrophobicContact CE2-CD2 3.89Å; F62-L69 HydrophobicContact CZ-CD2 3.71Å; F62-L109 HydrophobicContact CE1-CD1 4.32Å; F62-L109 HydrophobicContact CZ-CD1 4.22Å; F62-L122 CarbonylContact C-O 3.59Å; F62-L122 WeakPolarHBondContact CA-O 3.41Å; F62-L122 HydrophobicContact CD1-CB 3.93Å; F62-L122 HydrophobicContact CE1-CB 4.05Å; F62-L122 HydrophobicContact CE1-CD1 4.25Å; F62-C124 HydrophobicContact CD2-CB 4.04Å; F62-C124 HydrophobicContact CE2-CB 3.58Å; F62-C124 HydrophobicContact CZ-CB 4.02Å
63	S	93.9	Very high	94.3	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.084	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-72.6	154.5	172	71.1	0	0	0	0	111.9	D65 S66 D112 L122 K123	S63-D65 WeakPolarHBondContact CB-OD1 3.34Å; S63-D65 PolarHBondContact O-N 2.81Å; S63-D65 VanDerWaalsContact O-N 3.09Å; S63-D65 PolarHBondContact OG-OD1 2.76Å; S63-S66 PolarHBondContact N-OG 2.64Å; S63-S66 WeakPolarHBondContact O-CB 3.18Å; S63-S66 PolarHBondContact O-N 2.82Å; S63-S66 PolarHBondContact O-OG 2.86Å; S63-S66 PolarHBondContact OG-OG 2.87Å; S63-D112 WeakPolarHBondContact CB-OD1 3.2Å; S63-L122 PolarHBondContact N-O 2.92Å; S63-K123 PolarHBondContact OG-NZ 2.78Å; S63-K123 VanDerWaalsContact OG-NZ 3.16Å
64	N	91.8	Very high	94.6	Very high	177 Å²	177	44.4 Å²	44.4	95%	0.947	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.6	-178.1	-62.4	4.9	0	0	0	114.1
65	D	92.7	Very high	94.8	Very high	78 Å²	78	41.8 Å²	41.8	42%	0.417	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	19	175.5	74.9	-43.5	0	0	0	113.5	S63 K123 K125	S63-D65 WeakPolarHBondContact CB-OD1 3.34Å; S63-D65 PolarHBondContact O-N 2.81Å; S63-D65 VanDerWaalsContact O-N 3.09Å; S63-D65 PolarHBondContact OG-OD1 2.76Å; D65-K123 VanDerWaalsContact CG-NZ 3.32Å; D65-K123 IonicContact OD1-NZ 3.72Å; D65-K123 PolarHBondContact OD1-NZ 3.1Å; D65-K123 WeakPolarHBondContact OD2-CE 3.3Å; D65-K123 IonicContact OD2-NZ 3.66Å; D65-K123 PolarHBondContact OD2-NZ 2.9Å; D65-K125 WeakPolarHBondContact O-CE 3.39Å; D65-K125 WeakPolarHBondContact OD2-CE 3.25Å; D65-K125 IonicContact OD2-NZ 3.14Å; D65-K125 PolarHBondContact OD2-NZ 3.03Å
66	S	94.8	Very high	95.1	Very high	19 Å²	19	41.9 Å²	41.9	13%	0.133	22%	0.219	C	C	.	.			trans	-92	145.4	176.1	-66.6	0	0	0	0	113.2	S63 K123 C124	S63-S66 PolarHBondContact N-OG 2.64Å; S63-S66 WeakPolarHBondContact O-CB 3.18Å; S63-S66 PolarHBondContact O-N 2.82Å; S63-S66 PolarHBondContact O-OG 2.86Å; S63-S66 PolarHBondContact OG-OG 2.87Å; S66-K123 WeakPolarHBondContact OG-CA 3.18Å; S66-C124 CarbonylContact C-O 3.42Å; S66-C124 WeakPolarHBondContact CA-O 3.39Å; S66-C124 WeakPolarHBondContact CB-O 3.3Å; S66-C124 PolarHBondContact OG-N 2.83Å
67	C	94.5	Very high	95.2	Very high	38 Å²	38	40.3 Å²	40.3	26%	0.257	22%	0.215	S	C	.	.			trans	-80	140.9	158.8	60.7	0	0	0	0	110.5	L69 C124 E126	C67-L69 PolarHBondContact O-N 3.05Å; C67-C124 PolarHBondContact N-O 2.87Å; C67-C124 WeakPolarHBondContact O-CB 3.28Å; C67-C124 PolarHBondContact SG-O 2.7Å; C67-C124 VanDerWaalsContact SG-O 3.35Å; C67-E126 PolarHBondContact SG-N 3.36Å
68	Y	90.8	Very high	95.2	Very high	142 Å²	142	40.3 Å²	40.3	56%	0.557	22%	0.216	S	C	*	.			trans	-78.5	116	167.2	-78.1	-100.4	0	0	0	109.1	P42 T43	P42-Y68 HydrophobicContact CB-CE1 4.23Å; P42-Y68 WeakPolarHBondContact O-CD1 3.34Å; P42-Y68 WeakPolarHBondContact O-CE1 3.48Å; T43-Y68 HydrophobicContact CG2-CE1 3.93Å
69	L	91.8	Very high	95.1	Very high	6 Å²	6	40 Å²	40	3%	0.031	22%	0.215	C	C	.	.			trans	-86.6	144	173.2	84.1	166	0	0	0	111.1	F31 F62 C67 I92 Y107	F31-L69 HydrophobicContact CE1-CD1 4.14Å; F31-L69 HydrophobicContact CE2-CD1 3.69Å; F31-L69 HydrophobicContact CE2-CD2 4.05Å; F31-L69 HydrophobicContact CE2-CG 3.69Å; F31-L69 HydrophobicContact CZ-CD1 3.46Å; F31-L69 VanDerWaalsContact CZ-CD1 3.46Å; F31-L69 HydrophobicContact CZ-CG 3.87Å; F62-L69 HydrophobicContact CE2-CD2 3.89Å; F62-L69 HydrophobicContact CZ-CD2 3.71Å; C67-L69 PolarHBondContact O-N 3.05Å; L69-I92 HydrophobicContact CD1-CD1 4.15Å; L69-Y107 HydrophobicContact CB-CD1 4.04Å; L69-Y107 HydrophobicContact CB-CD2 4.2Å; L69-Y107 HydrophobicContact CB-CE1 3.99Å; L69-Y107 HydrophobicContact CB-CE2 4.12Å; L69-Y107 HydrophobicContact CB-CG 4.16Å; L69-Y107 HydrophobicContact CD1-CD2 4.02Å; L69-Y107 HydrophobicContact CD1-CG 4.15Å
70	P	95.8	Very high	94.9	Very high	21 Å²	21	39.6 Å²	39.6	14%	0.136	21%	0.207	C	C	.	.			trans	-67	156.2	176	28.3	-34.9	0	0	0	111.2	F31 W36 L72 T97	F31-P70 WeakPolarHBondContact CE2-O 3.43Å; F31-P70 VanDerWaalsContact CZ-O 3.27Å; F31-P70 WeakPolarHBondContact CZ-O 3.27Å; W36-P70 HydrophobicContact CH2-CB 4.04Å; W36-P70 HydrophobicContact CZ3-CB 3.77Å; P70-L72 HydrophobicContact CG-CD1 4.49Å; P70-L72 HydrophobicContact CG-CD2 4.06Å; P70-L72 HydrophobicContact CG-CG 4.16Å; P70-L72 WeakPolarHBondContact O-CG 3.38Å; P70-L72 PolarHBondContact O-N 3.04Å; P70-T97 HydrophobicContact CG-CG2 4.39Å
71	P	97.4	Very high	94.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.006	23%	0.225	C	C	.	.			trans	-65.5	106.8	168.7	-23.2	35.6	0	0	0	110.9	Q33 P37 P98	Q33-P71 HydrophobicContact CG-CB 4.03Å; Q33-P71 HydrophobicContact CG-CG 3.89Å; Q33-P71 WeakPolarHBondContact O-CB 3.09Å; P37-P71 HydrophobicContact CG-CG 3.86Å; P71-P98 HydrophobicContact CB-CG 4.21Å; P71-P98 HydrophobicContact CG-CG 4.29Å; P71-P98 WeakPolarHBondContact O-CD 3.11Å
72	L	98.4	Very high	93.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.			trans	-98.3	132.3	-176.1	-65.5	158.5	0	0	0	110.7	F31 G32 P70 P75 I92 G94 R96 T97 Y107	F31-L72 HydrophobicContact CE1-CB 3.92Å; F31-L72 HydrophobicContact CE1-CD1 4.37Å; F31-L72 HydrophobicContact CZ-CB 3.84Å; F31-L72 HydrophobicContact CZ-CD1 4.02Å; F31-L72 HydrophobicContact CZ-CG 4.1Å; G32-L72 WeakPolarHBondContact CA-O 3.11Å; P70-L72 HydrophobicContact CG-CD1 4.49Å; P70-L72 HydrophobicContact CG-CD2 4.06Å; P70-L72 HydrophobicContact CG-CG 4.16Å; P70-L72 WeakPolarHBondContact O-CG 3.38Å; P70-L72 PolarHBondContact O-N 3.04Å; L72-P75 HydrophobicContact CB-CB 4.24Å; L72-P75 HydrophobicContact CB-CG 4.2Å; L72-I92 HydrophobicContact CD1-CG2 4.34Å; L72-G94 WeakPolarHBondContact CD1-O 3.49Å; L72-G94 WeakPolarHBondContact CD2-O 3.49Å; L72-R96 WeakPolarHBondContact CA-O 3.07Å; L72-T97 HydrophobicContact CD2-CG2 4.21Å; L72-Y107 HydrophobicContact CD1-CD2 4.41Å; L72-Y107 HydrophobicContact CD1-CE2 4.09Å
73	R	98.2	Very high	92.2	Very high	50 Å²	50	49.1 Å²	49.1	19%	0.189	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-98.8	132.8	171.7	-70.2	169.7	-70	160.4	1	111	Q16 G18 G95 R96 T97 N100	Q16-R73 HydrophobicContact CG-CG 4.44Å; Q16-R73 VanDerWaalsContact NE2-CG 3.27Å; G18-R73 CarbonylContact O-C 3.43Å; G18-R73 WeakPolarHBondContact O-CA 3.2Å; R73-G95 CarbonylContact O-C 3.55Å; R73-G95 VanDerWaalsContact O-CA 3.32Å; R73-G95 WeakPolarHBondContact O-CA 3.19Å; R73-R96 HydrophobicContact CB-CB 4.44Å; R73-R96 PolarHBondContact N-O 3.21Å; R73-R96 PolarHBondContact O-N 2.94Å; R73-T97 PolarHBondContact NH2-O 3.5Å; R73-N100 PolarHBondContact NH1-OD1 3.18Å; R73-N100 PolarHBondContact NH2-OD1 3.39Å
74	C	98.3	Very high	90.5	Very high	39 Å²	39	55 Å²	55	26%	0.264	28%	0.283	S	S	.	.	S	Bend	trans	49.4	44.6	-175.7	-52.6	0	0	0	0	114.4	G18 Y138 G139 F206	G18-C74 WeakPolarHBondContact CA-SG 3.41Å; G18-C74 PolarHBondContact O-N 3.11Å; C74-Y138 HydrophobicContact CB-CD2 4.06Å; C74-Y138 WeakPolarHBondContact O-CA 3.39Å; C74-G139 PolarHBondContact O-N 2.97Å; C74-F206 HydrophobicContact CB-CE1 4.2Å
75	P	98.6	Very high	88.9	Confident	14 Å²	14	50.5 Å²	50.5	9%	0.091	28%	0.279	C	S	.	.			trans	-65.5	161.6	164.5	33.5	-35.6	0	0	0	109.8	F31 L72 V77 I92 H93 G94	F31-P75 HydrophobicContact CE1-CG 4.33Å; L72-P75 HydrophobicContact CB-CB 4.24Å; L72-P75 HydrophobicContact CB-CG 4.2Å; P75-V77 HydrophobicContact CG-CG2 3.96Å; P75-I92 HydrophobicContact CB-CG2 3.82Å; P75-I92 HydrophobicContact CG-CG2 4.1Å; P75-H93 WeakPolarHBondContact CA-O 3.37Å; P75-G94 WeakPolarHBondContact CB-O 3.34Å
76	A	98.5	Very high	87.7	Confident	3 Å²	3	52.8 Å²	52.8	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	137.6	157.7	0	0	0	0	0	108.8	I92 H93 H140 M142	A76-I92 WeakPolarHBondContact O-CA 3.3Å; A76-H93 PolarHBondContact N-O 3.08Å; A76-H93 PolarHBondContact O-N 2.8Å; A76-H140 WeakPolarHBondContact CB-CD2 3.29Å; A76-H140 WeakPolarHBondContact CB-NE2 3.43Å; A76-H140 WeakPolarHBondContact CB-O 3.38Å; A76-H140 PolarHBondContact N-CE1 2.87Å; A76-M142 HydrophobicContact CB-CB 4.05Å; A76-M142 HydrophobicContact CB-CE 3.99Å; A76-M142 HydrophobicContact CB-CG 3.71Å; A76-M142 HydrophobicContact CB-SD 4.44Å; A76-M142 WeakPolarHBondContact O-CE 3.37Å
77	V	97.3	Very high	86.9	Confident	44 Å²	44	55.1 Å²	55.1	27%	0.267	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127.5	-179.7	175.2	0	0	0	0	107.8	L22 P75 Y90 L91	L22-V77 HydrophobicContact CD2-CG1 3.4Å; L22-V77 VanDerWaalsContact CD2-CG1 3.4Å; L22-V77 HydrophobicContact CD2-CG2 4.48Å; P75-V77 HydrophobicContact CG-CG2 3.96Å; V77-Y90 HydrophobicContact CG1-CD1 3.5Å; V77-Y90 HydrophobicContact CG1-CE1 3.73Å; V77-L91 WeakPolarHBondContact CA-O 3.49Å
78	C	95.1	Very high	86.5	Confident	10 Å²	10	54.6 Å²	54.6	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.9	179.7	-159.9	0	0	0	0	110.6	Y90 L91 M142 S143	C78-Y90 CarbonylContact O-C 3.59Å; C78-Y90 VanDerWaalsContact O-CA 3.29Å; C78-Y90 WeakPolarHBondContact O-CA 3.24Å; C78-Y90 WeakPolarHBondContact O-CD1 3.35Å; C78-L91 HydrophobicContact CB-CB 4.29Å; C78-L91 PolarHBondContact N-O 2.91Å; C78-L91 PolarHBondContact O-N 2.97Å; C78-M142 HydrophobicContact CB-CB 3.79Å; C78-M142 HydrophobicContact CB-CE 4.29Å; C78-S143 WeakPolarHBondContact SG-CA 3.22Å
79	R	91.8	Very high	86.6	Confident	77 Å²	77	48.4 Å²	48.4	29%	0.291	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	130.4	173	-170	-178.5	-169.3	161	-3.6	108.8	D81 E88 Y90	R79-D81 VanDerWaalsContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CD-OD1 3.48Å; R79-D81 IonicContact NE-OD1 3.15Å; R79-E88 IonicContact CZ-OE1 3.55Å; R79-E88 IonicContact NE-OE1 2.87Å; R79-E88 PolarHBondContact NE-OE1 2.91Å; R79-E88 IonicContact NH2-OE1 2.7Å; R79-E88 PolarHBondContact NH2-OE1 2.77Å; R79-Y90 HydrophobicContact CB-CD1 4.34Å; R79-Y90 HydrophobicContact CB-CE1 3.75Å; R79-Y90 HydrophobicContact CG-CE1 4.28Å; R79-Y90 HydrophobicContact CG-CE2 4.26Å
80	L	89.5	Confident	86.9	Confident	32 Å²	32	49 Å²	49	17%	0.168	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	101.8	162.9	-74.8	155.3	0	0	0	106.4	S89 L91 L108 I144 L187	L80-S89 WeakPolarHBondContact CB-OG 3.4Å; L80-S89 WeakPolarHBondContact CD1-OG 3.29Å; L80-S89 PolarHBondContact N-O 2.79Å; L80-S89 PolarHBondContact O-N 2.86Å; L80-L91 HydrophobicContact CD1-CD1 4.48Å; L80-L91 HydrophobicContact CD1-CD2 4.25Å; L80-L91 HydrophobicContact CD1-CG 3.91Å; L80-L108 HydrophobicContact CD1-CD1 3.88Å; L80-I144 HydrophobicContact CD2-CD1 3.7Å; L80-I144 HydrophobicContact CD2-CG1 3.83Å; L80-I144 HydrophobicContact CG-CD1 4.35Å; L80-I144 HydrophobicContact CG-CG1 4.4Å; L80-L187 HydrophobicContact CD2-CD1 4.23Å
81	D	82.6	Confident	86.9	Confident	77 Å²	77	48.1 Å²	48.1	41%	0.412	27%	0.273	S	S	.	.			trans	-61.2	144.2	171.6	-75.8	-2.3	0	0	0	109	R79 Y83 R265	R79-D81 VanDerWaalsContact CD-OD1 3.31Å; R79-D81 WeakPolarHBondContact CD-OD1 3.48Å; R79-D81 IonicContact NE-OD1 3.15Å; D81-Y83 PolarHBondContact O-N 3.1Å; D81-R265 IonicContact OD1-NH1 2.83Å; D81-R265 IonicContact OD2-CZ 2.82Å; D81-R265 IonicContact OD2-NH1 3.31Å; D81-R265 PolarHBondContact OD2-NH1 3.04Å
82	P	76.7	Confident	87	Confident	86 Å²	86	48.1 Å²	48.1	56%	0.558	27%	0.272	S	S	*	.			trans	-56.4	132.6	-176.8	-25.8	33.3	0	0	0	113.8	E88	P82-E88 HydrophobicContact CG-CB 4.01Å
83	Y	67.6	Low	87	Confident	106 Å²	106	48.1 Å²	48.1	42%	0.416	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-150.2	142.4	-176.9	-172	-105.9	0	0	0	111.6	D81 G85 L86	D81-Y83 PolarHBondContact O-N 3.1Å; Y83-G85 PolarHBondContact O-N 3.08Å; Y83-L86 PolarHBondContact N-O 3.21Å; Y83-L86 WeakPolarHBondContact O-CB 3.29Å; Y83-L86 PolarHBondContact O-N 3.06Å
84	D	58.6	Low	87	Confident	134 Å²	134	45.8 Å²	45.8	72%	0.717	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.6	36.1	178.2	-73.1	1.6	0	0	0	115.8	L86	D84-L86 VanDerWaalsContact C-N 3.28Å; D84-L86 PolarHBondContact O-N 3.04Å
85	G	58.1	Low	87	Confident	83 Å²	83	43.9 Å²	43.9	86%	0.856	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-1.9	-180	0	0	0	0	0	115.1	Y83	Y83-G85 PolarHBondContact O-N 3.08Å
86	L	66.7	Low	87	Confident	127 Å²	127	45.4 Å²	45.4	67%	0.665	26%	0.255	S	S	*	.	B	Isolated β-bridge	trans	-72.5	137.3	166.8	-61.8	175.6	0	0	0	110.1	Y83 D84	Y83-L86 PolarHBondContact N-O 3.21Å; Y83-L86 WeakPolarHBondContact O-CB 3.29Å; Y83-L86 PolarHBondContact O-N 3.06Å; D84-L86 VanDerWaalsContact C-N 3.28Å; D84-L86 PolarHBondContact O-N 3.04Å
87	P	77.9	Confident	86.9	Confident	67 Å²	67	45.8 Å²	45.8	44%	0.435	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-71.5	163.8	176.6	31.9	-36.1	0	0	0	111.6
88	E	87.5	Confident	86.8	Confident	28 Å²	28	45.1 Å²	45.1	13%	0.131	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-50.1	138.7	166.5	-176.6	167.8	-112.4	0	0	111.4	L24 D25 R79 P82	L24-E88 WeakPolarHBondContact CA-OE2 3.45Å; L24-E88 HydrophobicContact CD1-CB 3.99Å; L24-E88 HydrophobicContact CD1-CG 3.76Å; L24-E88 VanDerWaalsContact CD1-O 3.25Å; L24-E88 WeakPolarHBondContact CD1-O 3.46Å; D25-E88 PolarHBondContact N-OE2 3.21Å; R79-E88 IonicContact CZ-OE1 3.55Å; R79-E88 IonicContact NE-OE1 2.87Å; R79-E88 PolarHBondContact NE-OE1 2.91Å; R79-E88 IonicContact NH2-OE1 2.7Å; R79-E88 PolarHBondContact NH2-OE1 2.77Å; P82-E88 HydrophobicContact CG-CB 4.01Å
89	S	93.3	Very high	86.8	Confident	12 Å²	12	48.9 Å²	48.9	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	173.9	-179.3	49.9	0	0	0	0	112.1	L80 L109	L80-S89 WeakPolarHBondContact CB-OG 3.4Å; L80-S89 WeakPolarHBondContact CD1-OG 3.29Å; L80-S89 PolarHBondContact N-O 2.79Å; L80-S89 PolarHBondContact O-N 2.86Å; S89-L109 CarbonylContact C-O 3.52Å; S89-L109 WeakPolarHBondContact CA-O 3.26Å; S89-L109 VanDerWaalsContact CB-O 3.27Å; S89-L109 WeakPolarHBondContact CB-O 3.44Å
90	Y	96.4	Very high	86.8	Confident	17 Å²	17	47.9 Å²	47.9	7%	0.067	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.6	-179.7	-84.6	-89.9	0	0	0	111.9	L22 Q23 L24 V77 C78 R79 L108 L109	L22-Y90 HydrophobicContact CB-CD2 4.09Å; L22-Y90 HydrophobicContact CB-CE1 4.31Å; L22-Y90 HydrophobicContact CB-CE2 3.77Å; L22-Y90 HydrophobicContact CB-CG 4.49Å; L22-Y90 HydrophobicContact CD2-CD1 3.94Å; L22-Y90 HydrophobicContact CD2-CE1 3.97Å; L22-Y90 HydrophobicContact CD2-CG 4.31Å; Q23-Y90 PolarHBondContact N-OH 2.95Å; Q23-Y90 WeakPolarHBondContact O-CE2 3.39Å; Q23-Y90 PolarHBondContact O-OH 3.44Å; L24-Y90 HydrophobicContact CB-CE2 4.44Å; V77-Y90 HydrophobicContact CG1-CD1 3.5Å; V77-Y90 HydrophobicContact CG1-CE1 3.73Å; C78-Y90 CarbonylContact O-C 3.59Å; C78-Y90 VanDerWaalsContact O-CA 3.29Å; C78-Y90 WeakPolarHBondContact O-CA 3.24Å; C78-Y90 WeakPolarHBondContact O-CD1 3.35Å; R79-Y90 HydrophobicContact CB-CD1 4.34Å; R79-Y90 HydrophobicContact CB-CE1 3.75Å; R79-Y90 HydrophobicContact CG-CE1 4.28Å; R79-Y90 HydrophobicContact CG-CE2 4.26Å; Y90-L108 WeakPolarHBondContact O-CA 3.42Å; Y90-L109 PolarHBondContact N-O 3.01Å; Y90-L109 PolarHBondContact O-N 2.7Å
91	L	97.3	Very high	87.1	Confident	4 Å²	4	51.3 Å²	51.3	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	131.6	160.4	-63.8	178	0	0	0	109.4	V77 C78 L80 L106 Y107 L108 M142 I144 C153 L187	V77-L91 WeakPolarHBondContact CA-O 3.49Å; C78-L91 HydrophobicContact CB-CB 4.29Å; C78-L91 PolarHBondContact N-O 2.91Å; C78-L91 PolarHBondContact O-N 2.97Å; L80-L91 HydrophobicContact CD1-CD1 4.48Å; L80-L91 HydrophobicContact CD1-CD2 4.25Å; L80-L91 HydrophobicContact CD1-CG 3.91Å; L91-L106 HydrophobicContact CB-CD1 4.14Å; L91-L106 HydrophobicContact CD2-CD1 4.25Å; L91-Y107 CarbonylContact C-O 3.57Å; L91-Y107 WeakPolarHBondContact CA-O 3.3Å; L91-L108 HydrophobicContact CD2-CB 4.3Å; L91-L108 HydrophobicContact CD2-CD1 3.98Å; L91-M142 HydrophobicContact CB-CE 3.81Å; L91-M142 WeakPolarHBondContact O-CE 3.32Å; L91-I144 HydrophobicContact CD1-CD1 4.16Å; L91-C153 HydrophobicContact CD1-CB 4.09Å; L91-L187 HydrophobicContact CD1-CD1 3.85Å; L91-L187 HydrophobicContact CD1-CD2 3.75Å; L91-L187 HydrophobicContact CD1-CG 4.47Å
92	I	98.5	Very high	87.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.9	175.6	-55.2	176.8	0	0	0	107.3	L22 F31 L69 L72 P75 A76 Y107 L109	L22-I92 HydrophobicContact CD1-CD1 4.33Å; F31-I92 HydrophobicContact CD1-CD1 4.13Å; F31-I92 HydrophobicContact CE1-CD1 4.22Å; F31-I92 HydrophobicContact CE1-CG2 4Å; L69-I92 HydrophobicContact CD1-CD1 4.15Å; L72-I92 HydrophobicContact CD1-CG2 4.34Å; P75-I92 HydrophobicContact CB-CG2 3.82Å; P75-I92 HydrophobicContact CG-CG2 4.1Å; A76-I92 WeakPolarHBondContact O-CA 3.3Å; I92-Y107 PolarHBondContact N-O 2.82Å; I92-Y107 PolarHBondContact O-N 2.85Å; I92-L109 HydrophobicContact CD1-CB 4.48Å; I92-L109 HydrophobicContact CD1-CD2 4.33Å
93	H	98.5	Very high	88.7	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	136.3	-179.7	178.6	-113.4	0	0	0	111.9	P75 A76 S104 S105 L106 H140 M142 M155	P75-H93 WeakPolarHBondContact CA-O 3.37Å; A76-H93 PolarHBondContact N-O 3.08Å; A76-H93 PolarHBondContact O-N 2.8Å; H93-S104 PolarHBondContact NE2-O 2.83Å; H93-S105 PolarHBondContact CD2-O 3.49Å; H93-S105 VanDerWaalsContact CD2-O 3.28Å; H93-L106 HydrophobicContact CB-CD1 3.95Å; H93-H140 VanDerWaalsContact C-CE1 3.41Å; H93-H140 WeakPolarHBondContact CA-NE2 3.38Å; H93-H140 WeakPolarHBondContact CB-NE2 3.49Å; H93-H140 AromaticContact CE1-NE2 3.57Å; H93-H140 AromaticContact CG-NE2 2.93Å; H93-H140 AromaticContact ND1-CD2 3.69Å; H93-H140 AromaticContact ND1-NE2 2.44Å; H93-H140 PolarHBondContact ND1-NE2 2.93Å; H93-H140 PolarHBondContact O-CE1 2.88Å; H93-H140 PolarHBondContact O-NE2 2.82Å; H93-M142 HydrophobicContact CB-CE 3.58Å; H93-M142 HydrophobicContact CB-SD 3.58Å; H93-M142 VanDerWaalsContact CB-SD 3.58Å; H93-M155 VanDerWaalsContact CE1-SD 3.56Å; H93-M155 PolarHBondContact ND1-SD 2.89Å
94	G	98.3	Very high	90.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.255	C	S	.	.			trans	62	-143.7	173.1	0	0	0	0	0	113.7	L72 P75 S103 S105 R137 H140	L72-G94 WeakPolarHBondContact CD1-O 3.49Å; L72-G94 WeakPolarHBondContact CD2-O 3.49Å; P75-G94 WeakPolarHBondContact CB-O 3.34Å; G94-S103 VanDerWaalsContact CA-O 3.25Å; G94-S103 WeakPolarHBondContact CA-O 3.37Å; G94-S105 PolarHBondContact N-O 2.99Å; G94-R137 CarbonylContact C-O 3.56Å; G94-R137 WeakPolarHBondContact CA-O 3.31Å; G94-H140 WeakPolarHBondContact CA-CE1 3.34Å
95	G	98.4	Very high	91.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.			trans	88.6	169.5	-172.8	0	0	0	0	0	113.1	R73 I102 S103 R137 H140	R73-G95 CarbonylContact O-C 3.55Å; R73-G95 VanDerWaalsContact O-CA 3.32Å; R73-G95 WeakPolarHBondContact O-CA 3.19Å; G95-I102 WeakPolarHBondContact O-CA 3.31Å; G95-S103 PolarHBondContact O-N 2.87Å; G95-R137 PolarHBondContact N-O 2.87Å; G95-H140 PolarHBondContact N-CE1 2.92Å
96	R	98.1	Very high	93.8	Very high	46 Å²	46	34.5 Å²	34.5	17%	0.174	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-97.7	125.8	-176.3	-59.2	-178.9	74.2	-172.2	8.1	112.2	L72 R73 E101 I102 Y138 Y161	L72-R96 WeakPolarHBondContact CA-O 3.07Å; R73-R96 HydrophobicContact CB-CB 4.44Å; R73-R96 PolarHBondContact N-O 3.21Å; R73-R96 PolarHBondContact O-N 2.94Å; R96-E101 CarbonylContact C-O 3.58Å; R96-E101 VanDerWaalsContact CA-O 3.25Å; R96-E101 WeakPolarHBondContact CA-O 3.42Å; R96-I102 HydrophobicContact CG-CG1 4.32Å; R96-Y138 HydrophobicContact CG-CD1 3.87Å; R96-Y138 HydrophobicContact CG-CD2 4.11Å; R96-Y138 HydrophobicContact CG-CE1 4.36Å; R96-Y138 HydrophobicContact CG-CG 3.74Å; R96-Y161 PolarHBondContact NH2-OH 2.81Å
97	T	97.6	Very high	95.2	Very high	10 Å²	10	29.1 Å²	29.1	6%	0.061	16%	0.16	C	C	.	.			trans	-66.2	171.7	175.1	76.6	0	0	0	0	111.3	P70 L72 R73 N99 N100 E101	P70-T97 HydrophobicContact CG-CG2 4.39Å; L72-T97 HydrophobicContact CD2-CG2 4.21Å; R73-T97 PolarHBondContact NH2-O 3.5Å; T97-N99 PolarHBondContact O-N 3.05Å; T97-N99 PolarHBondContact OG1-N 2.91Å; T97-N100 PolarHBondContact O-N 3.08Å; T97-E101 HydrophobicContact CG2-CB 4.19Å; T97-E101 PolarHBondContact N-O 2.62Å; T97-E101 PolarHBondContact OG1-N 2.68Å; T97-E101 PolarHBondContact OG1-OE2 3.22Å; T97-E101 VanDerWaalsContact OG1-OE2 3.09Å
98	P	94.5	Very high	96.1	Very high	30 Å²	30	27.7 Å²	27.7	20%	0.195	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.3	172.8	-22.4	35.6	0	0	0	113.3	G35 W36 P71 N100	G35-P98 WeakPolarHBondContact O-CG 3.29Å; W36-P98 HydrophobicContact CD2-CB 4.21Å; W36-P98 HydrophobicContact CD2-CG 3.82Å; W36-P98 HydrophobicContact CE3-CG 4.25Å; W36-P98 HydrophobicContact CG-CB 4.14Å; W36-P98 HydrophobicContact CG-CG 4.06Å; W36-P98 HydrophobicContact CZ2-CG 4.32Å; P71-P98 HydrophobicContact CB-CG 4.21Å; P71-P98 HydrophobicContact CG-CG 4.29Å; P71-P98 WeakPolarHBondContact O-CD 3.11Å; P98-N100 PolarHBondContact O-N 2.69Å
99	N	94.4	Very high	96.5	Very high	89 Å²	89	26.4 Å²	26.4	48%	0.476	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	3.8	174.3	-64.9	-4.9	0	0	0	113.2	W36 T97 E101	W36-N99 PolarHBondContact NE1-OD1 3.13Å; T97-N99 PolarHBondContact O-N 3.05Å; T97-N99 PolarHBondContact OG1-N 2.91Å; N99-E101 HydrophobicContact CB-CG 4.24Å; N99-E101 WeakPolarHBondContact CB-OE2 3.49Å; N99-E101 PolarHBondContact ND2-OE1 3.09Å; N99-E101 PolarHBondContact O-N 2.6Å
100	N	92.3	Very high	96.6	Very high	56 Å²	56	26.9 Å²	26.9	30%	0.299	15%	0.146	S	C	.	.	S	Bend	trans	68	-3.4	-171.5	-61	-59.5	0	0	0	116.5	R73 T97 P98 Y161	R73-N100 PolarHBondContact NH1-OD1 3.18Å; R73-N100 PolarHBondContact NH2-OD1 3.39Å; T97-N100 PolarHBondContact O-N 3.08Å; P98-N100 PolarHBondContact O-N 2.69Å; N100-Y161 WeakPolarHBondContact O-CE2 3.36Å; N100-Y161 PolarHBondContact O-OH 2.96Å
101	E	95.5	Very high	96.4	Very high	105 Å²	105	29 Å²	29	49%	0.491	16%	0.156	S	C	.	.			trans	-54.7	152.8	167.6	-58.9	138.9	178	0	0	110.3	R96 T97 N99	R96-E101 CarbonylContact C-O 3.58Å; R96-E101 VanDerWaalsContact CA-O 3.25Å; R96-E101 WeakPolarHBondContact CA-O 3.42Å; T97-E101 HydrophobicContact CG2-CB 4.19Å; T97-E101 PolarHBondContact N-O 2.62Å; T97-E101 PolarHBondContact OG1-N 2.68Å; T97-E101 PolarHBondContact OG1-OE2 3.22Å; T97-E101 VanDerWaalsContact OG1-OE2 3.09Å; N99-E101 HydrophobicContact CB-CG 4.24Å; N99-E101 WeakPolarHBondContact CB-OE2 3.49Å; N99-E101 PolarHBondContact ND2-OE1 3.09Å; N99-E101 PolarHBondContact O-N 2.6Å
102	I	97.3	Very high	96.2	Very high	25 Å²	25	31.8 Å²	31.8	13%	0.128	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-106.2	129.8	177	-46.2	174.1	0	0	0	107.8	G95 R96 A136 R137 Y138 Y161	G95-I102 WeakPolarHBondContact O-CA 3.31Å; R96-I102 HydrophobicContact CG-CG1 4.32Å; I102-A136 HydrophobicContact CB-CB 4.13Å; I102-A136 HydrophobicContact CG2-CB 4.12Å; I102-A136 WeakPolarHBondContact O-CB 3.48Å; I102-R137 VanDerWaalsContact CG2-C 3.44Å; I102-R137 VanDerWaalsContact CG2-N 3.3Å; I102-Y138 HydrophobicContact CD1-CD1 3.98Å; I102-Y138 HydrophobicContact CD1-CE1 4.21Å; I102-Y138 HydrophobicContact CG1-CD1 4.41Å; I102-Y138 HydrophobicContact CG2-CD1 4.45Å; I102-Y161 HydrophobicContact CD1-CD2 3.46Å; I102-Y161 VanDerWaalsContact CD1-CD2 3.46Å; I102-Y161 HydrophobicContact CD1-CE2 3.86Å; I102-Y161 HydrophobicContact CD1-CG 3.92Å; I102-Y161 HydrophobicContact CG1-CD2 3.72Å; I102-Y161 HydrophobicContact CG1-CE2 3.69Å
103	S	96.6	Very high	95.8	Very high	14 Å²	14	34 Å²	34	10%	0.098	19%	0.187	C	C	.	.			trans	-78	152.9	175.4	-173.9	0	0	0	0	111.8	G94 G95 S105 A136 R137	G94-S103 VanDerWaalsContact CA-O 3.25Å; G94-S103 WeakPolarHBondContact CA-O 3.37Å; G95-S103 PolarHBondContact O-N 2.87Å; S103-S105 WeakPolarHBondContact OG-CB 3.33Å; S103-S105 PolarHBondContact OG-N 2.88Å; S103-A136 VanDerWaalsContact O-CA 3.28Å; S103-A136 WeakPolarHBondContact O-CA 3.38Å; S103-A136 WeakPolarHBondContact O-CB 3.46Å; S103-R137 PolarHBondContact O-N 3.03Å
104	S	96.2	Very high	95.2	Very high	66 Å²	66	38.1 Å²	38.1	46%	0.462	20%	0.202	S	C	.	.			trans	-116.5	6.1	163.6	53.9	0	0	0	0	112.4	H93	H93-S104 PolarHBondContact NE2-O 2.83Å
105	S	96.3	Very high	94.1	Very high	25 Å²	25	39.9 Å²	39.9	18%	0.175	22%	0.22	C	C	.	.			trans	-76.8	142.6	-179.6	-59.9	0	0	0	0	111.3	H93 G94 S103 Y107 E126	H93-S105 PolarHBondContact CD2-O 3.49Å; H93-S105 VanDerWaalsContact CD2-O 3.28Å; G94-S105 PolarHBondContact N-O 2.99Å; S103-S105 WeakPolarHBondContact OG-CB 3.33Å; S103-S105 PolarHBondContact OG-N 2.88Å; S105-Y107 VanDerWaalsContact CB-CZ 3.44Å; S105-Y107 WeakPolarHBondContact CB-OH 3.48Å; S105-Y107 PolarHBondContact OG-OH 2.83Å; S105-E126 WeakPolarHBondContact CB-OE1 3.46Å; S105-E126 PolarHBondContact OG-OE1 3.21Å
106	L	97.4	Very high	92.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	128.3	166.4	178	67.3	0	0	0	108.4	L91 H93 E126 K127 L129 M142	L91-L106 HydrophobicContact CB-CD1 4.14Å; L91-L106 HydrophobicContact CD2-CD1 4.25Å; H93-L106 HydrophobicContact CB-CD1 3.95Å; L106-E126 WeakPolarHBondContact O-CA 3.49Å; L106-K127 HydrophobicContact CB-CB 4.29Å; L106-K127 HydrophobicContact CD2-CB 3.95Å; L106-K127 HydrophobicContact CG-CB 4.06Å; L106-K127 PolarHBondContact O-N 3.07Å; L106-L129 HydrophobicContact CD2-CD1 4.11Å; L106-L129 HydrophobicContact CD2-CD2 4.11Å; L106-L129 HydrophobicContact CD2-CG 4.17Å; L106-M142 HydrophobicContact CD1-CE 4.34Å; L106-M142 HydrophobicContact CD1-SD 4.25Å
107	Y	97.3	Very high	91.3	Very high	13 Å²	13	50.7 Å²	50.7	5%	0.051	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.1	175.2	-56.6	-79.6	0	0	0	110.3	L69 L72 L91 I92 S105 K125 E126	L69-Y107 HydrophobicContact CB-CD1 4.04Å; L69-Y107 HydrophobicContact CB-CD2 4.2Å; L69-Y107 HydrophobicContact CB-CE1 3.99Å; L69-Y107 HydrophobicContact CB-CE2 4.12Å; L69-Y107 HydrophobicContact CB-CG 4.16Å; L69-Y107 HydrophobicContact CD1-CD2 4.02Å; L69-Y107 HydrophobicContact CD1-CG 4.15Å; L72-Y107 HydrophobicContact CD1-CD2 4.41Å; L72-Y107 HydrophobicContact CD1-CE2 4.09Å; L91-Y107 CarbonylContact C-O 3.57Å; L91-Y107 WeakPolarHBondContact CA-O 3.3Å; I92-Y107 PolarHBondContact N-O 2.82Å; I92-Y107 PolarHBondContact O-N 2.85Å; S105-Y107 VanDerWaalsContact CB-CZ 3.44Å; S105-Y107 WeakPolarHBondContact CB-OH 3.48Å; S105-Y107 PolarHBondContact OG-OH 2.83Å; Y107-K125 WeakPolarHBondContact CA-O 3.23Å; Y107-E126 HydrophobicContact CD1-CB 3.91Å; Y107-E126 HydrophobicContact CD1-CG 4.18Å; Y107-E126 HydrophobicContact CE1-CB 3.87Å; Y107-E126 HydrophobicContact CE1-CG 3.86Å
108	L	96.3	Very high	90.2	Very high	38 Å²	38	59.7 Å²	59.7	20%	0.199	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	113.7	166.8	175.8	61.9	0	0	0	108.8	L80 Y90 L91 T110 C124 K125 K127	L80-L108 HydrophobicContact CD1-CD1 3.88Å; Y90-L108 WeakPolarHBondContact O-CA 3.42Å; L91-L108 HydrophobicContact CD2-CB 4.3Å; L91-L108 HydrophobicContact CD2-CD1 3.98Å; L108-T110 HydrophobicContact CD1-CG2 4.15Å; L108-T110 HydrophobicContact CD2-CG2 4.37Å; L108-T110 HydrophobicContact CG-CG2 4Å; L108-C124 WeakPolarHBondContact O-CA 3.32Å; L108-K125 PolarHBondContact N-O 3.5Å; L108-K125 PolarHBondContact O-N 2.83Å; L108-K127 HydrophobicContact CB-CG 4.2Å
109	L	96.9	Very high	89.7	Confident	1 Å²	1	62 Å²	62	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	126.3	174.8	-170.8	69.5	0	0	0	109.6	L22 F62 S89 Y90 I92 L122 C124	L22-L109 HydrophobicContact CD1-CD2 3.61Å; F62-L109 HydrophobicContact CE1-CD1 4.32Å; F62-L109 HydrophobicContact CZ-CD1 4.22Å; S89-L109 CarbonylContact C-O 3.52Å; S89-L109 WeakPolarHBondContact CA-O 3.26Å; S89-L109 VanDerWaalsContact CB-O 3.27Å; S89-L109 WeakPolarHBondContact CB-O 3.44Å; Y90-L109 PolarHBondContact N-O 3.01Å; Y90-L109 PolarHBondContact O-N 2.7Å; I92-L109 HydrophobicContact CD1-CB 4.48Å; I92-L109 HydrophobicContact CD1-CD2 4.33Å; L109-L122 HydrophobicContact CD1-CB 4.14Å; L109-L122 HydrophobicContact CD1-CD1 4.22Å; L109-L122 HydrophobicContact CD2-CD1 4.36Å; L109-C124 HydrophobicContact CD1-CB 3.85Å
110	T	94.7	Very high	89.6	Confident	22 Å²	22	57.9 Å²	57.9	14%	0.135	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	158.5	-172.8	44.1	0	0	0	0	110.4	L108 L122 K123	L108-T110 HydrophobicContact CD1-CG2 4.15Å; L108-T110 HydrophobicContact CD2-CG2 4.37Å; L108-T110 HydrophobicContact CG-CG2 4Å; T110-L122 CarbonylContact O-C 3.6Å; T110-L122 WeakPolarHBondContact O-CA 3.4Å; T110-K123 PolarHBondContact N-O 2.91Å; T110-K123 PolarHBondContact O-N 3.06Å; T110-K123 VanDerWaalsContact OG1-CB 3.29Å; T110-K123 WeakPolarHBondContact OG1-CB 3.43Å; T110-K123 WeakPolarHBondContact OG1-CG 3.49Å; T110-K123 PolarHBondContact OG1-O 2.79Å
111	M	93.1	Very high	89.7	Confident	60 Å²	60	56.3 Å²	56.3	30%	0.296	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	135.9	159.3	-168	-144.9	-52.7	0	0	108.8	D25 L120	D25-M111 HydrophobicContact CB-CE 3.85Å; D25-M111 VanDerWaalsContact CG-CE 3.47Å; M111-L120 HydrophobicContact CG-CD1 3.66Å
112	D	92.1	Very high	89.7	Confident	64 Å²	64	51.3 Å²	51.3	34%	0.342	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-55.5	167.2	-178.8	80.5	0	0	0	110.9	S63 T121 K123	S63-D112 WeakPolarHBondContact CB-OD1 3.2Å; D112-T121 HydrophobicContact CB-CG2 4.15Å; D112-T121 WeakPolarHBondContact CB-O 3.32Å; D112-T121 PolarHBondContact N-O 3.47Å; D112-K123 HydrophobicContact CB-CB 3.87Å; D112-K123 IonicContact OD1-NZ 2.87Å; D112-K123 PolarHBondContact OD1-NZ 2.85Å
113	S	89.7	Confident	89.6	Confident	45 Å²	45	52.1 Å²	52.1	32%	0.315	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	160.2	-171.1	49.9	0	0	0	0	111.2	T121	S113-T121 PolarHBondContact N-O 2.76Å; S113-T121 PolarHBondContact O-N 3Å; S113-T121 WeakPolarHBondContact OG-CB 3.23Å
114	R	86.9	Confident	89.6	Confident	88 Å²	88	51.4 Å²	51.4	33%	0.332	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.5	161.3	-75.7	-163.5	179.6	-105.4	5.3	109.3	D25 E27 R118 K119 L120	D25-R114 PolarHBondContact O-NH2 2.79Å; D25-R114 IonicContact OD2-CZ 3.14Å; D25-R114 IonicContact OD2-NE 2.7Å; D25-R114 PolarHBondContact OD2-NE 2.85Å; D25-R114 IonicContact OD2-NH2 2.74Å; D25-R114 PolarHBondContact OD2-NH2 2.99Å; E27-R114 IonicContact OE1-NH1 3.15Å; E27-R114 PolarHBondContact OE1-NH1 2.81Å; E27-R114 VanDerWaalsContact OE1-NH1 3.15Å; R114-R118 PolarHBondContact NH1-O 3.34Å; R114-K119 WeakPolarHBondContact CA-O 3.42Å; R114-L120 HydrophobicContact CG-CD1 4.45Å
115	G	73.8	Confident	89.6	Confident	37 Å²	37	52.4 Å²	52.4	38%	0.381	27%	0.271	S	S	.	.			trans	-72.5	-179.8	176.7	0	0	0	0	0	112.9	R118 K119	G115-R118 WeakPolarHBondContact O-CA 3.3Å; G115-R118 PolarHBondContact O-N 3.28Å; G115-K119 PolarHBondContact N-O 2.9Å
116	C	65.2	Low	89.6	Confident	120 Å²	120	56 Å²	56	81%	0.811	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-47.3	145.4	166.5	-61.9	0	0	0	0	110.6	R118	C116-R118 PolarHBondContact O-N 3.37Å
117	N	73.8	Confident	89.4	Confident	153 Å²	153	59.9 Å²	59.9	82%	0.818	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	61.9	23.7	-171.1	-52.4	-32.7	0	0	0	114.8	K119	N117-K119 PolarHBondContact O-N 2.67Å
118	R	74	Confident	89.2	Confident	200 Å²	200	67.5 Å²	67.5	76%	0.755	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	55.3	21.1	178.5	-57	-176.5	-179.9	-176.3	-0.3	114.4	R114 G115 C116 L120	R114-R118 PolarHBondContact NH1-O 3.34Å; G115-R118 WeakPolarHBondContact O-CA 3.3Å; G115-R118 PolarHBondContact O-N 3.28Å; C116-R118 PolarHBondContact O-N 3.37Å; R118-L120 PolarHBondContact O-N 3.27Å
119	K	84.6	Confident	89.1	Confident	78 Å²	78	67 Å²	67	34%	0.339	34%	0.335	S	S	.	.			trans	-62	120	176.7	-177.3	-177.6	172	-171.6	0	108.4	S61 R114 G115 N117	S61-K119 VanDerWaalsContact OG-CE 3.29Å; S61-K119 WeakPolarHBondContact OG-CE 3.45Å; S61-K119 PolarHBondContact OG-NZ 2.89Å; R114-K119 WeakPolarHBondContact CA-O 3.42Å; G115-K119 PolarHBondContact N-O 2.9Å; N117-K119 PolarHBondContact O-N 2.67Å
120	L	91.3	Very high	88.9	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.01	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	128	175.2	178.1	60.2	0	0	0	109.5	L29 M111 R114 R118 L122	L29-L120 HydrophobicContact CD2-CD2 4.17Å; M111-L120 HydrophobicContact CG-CD1 3.66Å; R114-L120 HydrophobicContact CG-CD1 4.45Å; R118-L120 PolarHBondContact O-N 3.27Å; L120-L122 HydrophobicContact CD1-CD2 4.07Å; L120-L122 HydrophobicContact CD2-CD2 3.95Å; L120-L122 HydrophobicContact CG-CD2 3.87Å; L120-L122 HydrophobicContact CG-CG 4.41Å
121	T	94	Very high	88.9	Confident	24 Å²	24	73 Å²	73	15%	0.147	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.1	167.6	-55.4	0	0	0	0	107.7	S61 D112 S113	S61-T121 WeakPolarHBondContact O-CA 3.34Å; D112-T121 HydrophobicContact CB-CG2 4.15Å; D112-T121 WeakPolarHBondContact CB-O 3.32Å; D112-T121 PolarHBondContact N-O 3.47Å; S113-T121 PolarHBondContact N-O 2.76Å; S113-T121 PolarHBondContact O-N 3Å; S113-T121 WeakPolarHBondContact OG-CB 3.23Å
122	L	95.8	Very high	89.1	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	155.3	179.9	-60.8	177.5	0	0	0	111.4	L24 L29 V45 I60 S61 F62 S63 L109 T110 L120	L24-L122 HydrophobicContact CD2-CD2 3.61Å; L29-L122 HydrophobicContact CD1-CD1 3.76Å; L29-L122 HydrophobicContact CD1-CD2 4.32Å; V45-L122 HydrophobicContact CG1-CD1 3.93Å; I60-L122 HydrophobicContact CG2-CD1 3.63Å; I60-L122 HydrophobicContact CG2-CG 3.7Å; S61-L122 PolarHBondContact O-N 2.84Å; F62-L122 CarbonylContact C-O 3.59Å; F62-L122 WeakPolarHBondContact CA-O 3.41Å; F62-L122 HydrophobicContact CD1-CB 3.93Å; F62-L122 HydrophobicContact CE1-CB 4.05Å; F62-L122 HydrophobicContact CE1-CD1 4.25Å; S63-L122 PolarHBondContact N-O 2.92Å; L109-L122 HydrophobicContact CD1-CB 4.14Å; L109-L122 HydrophobicContact CD1-CD1 4.22Å; L109-L122 HydrophobicContact CD2-CD1 4.36Å; T110-L122 CarbonylContact O-C 3.6Å; T110-L122 WeakPolarHBondContact O-CA 3.4Å; L120-L122 HydrophobicContact CD1-CD2 4.07Å; L120-L122 HydrophobicContact CD2-CD2 3.95Å; L120-L122 HydrophobicContact CG-CD2 3.87Å; L120-L122 HydrophobicContact CG-CG 4.41Å
123	K	95.8	Very high	89.3	Confident	41 Å²	41	75.4 Å²	75.4	18%	0.178	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	118.9	170.3	163.8	-177.9	-96.7	51.5	0	108.4	S63 D65 S66 T110 D112 K125	S63-K123 PolarHBondContact OG-NZ 2.78Å; S63-K123 VanDerWaalsContact OG-NZ 3.16Å; D65-K123 VanDerWaalsContact CG-NZ 3.32Å; D65-K123 IonicContact OD1-NZ 3.72Å; D65-K123 PolarHBondContact OD1-NZ 3.1Å; D65-K123 WeakPolarHBondContact OD2-CE 3.3Å; D65-K123 IonicContact OD2-NZ 3.66Å; D65-K123 PolarHBondContact OD2-NZ 2.9Å; S66-K123 WeakPolarHBondContact OG-CA 3.18Å; T110-K123 PolarHBondContact N-O 2.91Å; T110-K123 PolarHBondContact O-N 3.06Å; T110-K123 VanDerWaalsContact OG1-CB 3.29Å; T110-K123 WeakPolarHBondContact OG1-CB 3.43Å; T110-K123 WeakPolarHBondContact OG1-CG 3.49Å; T110-K123 PolarHBondContact OG1-O 2.79Å; D112-K123 HydrophobicContact CB-CB 3.87Å; D112-K123 IonicContact OD1-NZ 2.87Å; D112-K123 PolarHBondContact OD1-NZ 2.85Å; K123-K125 HydrophobicContact CG-CG 4.25Å
124	C	96.9	Very high	89.6	Confident	0 Å²	0	73.4 Å²	73.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.3	175.8	-174.2	0	0	0	0	109.4	F62 S66 C67 L108 L109	F62-C124 HydrophobicContact CD2-CB 4.04Å; F62-C124 HydrophobicContact CE2-CB 3.58Å; F62-C124 HydrophobicContact CZ-CB 4.02Å; S66-C124 CarbonylContact C-O 3.42Å; S66-C124 WeakPolarHBondContact CA-O 3.39Å; S66-C124 WeakPolarHBondContact CB-O 3.3Å; S66-C124 PolarHBondContact OG-N 2.83Å; C67-C124 PolarHBondContact N-O 2.87Å; C67-C124 WeakPolarHBondContact O-CB 3.28Å; C67-C124 PolarHBondContact SG-O 2.7Å; C67-C124 VanDerWaalsContact SG-O 3.35Å; L108-C124 WeakPolarHBondContact O-CA 3.32Å; L109-C124 HydrophobicContact CD1-CB 3.85Å
125	K	96.2	Very high	90	Very high	87 Å²	87	71.5 Å²	71.5	38%	0.378	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.5	175	-63.2	-161.7	174.7	-166.9	0	111.1	D65 Y107 L108 K123	D65-K125 WeakPolarHBondContact O-CE 3.39Å; D65-K125 WeakPolarHBondContact OD2-CE 3.25Å; D65-K125 IonicContact OD2-NZ 3.14Å; D65-K125 PolarHBondContact OD2-NZ 3.03Å; Y107-K125 WeakPolarHBondContact CA-O 3.23Å; L108-K125 PolarHBondContact N-O 3.5Å; L108-K125 PolarHBondContact O-N 2.83Å; K123-K125 HydrophobicContact CG-CG 4.25Å
126	E	95.8	Very high	91.1	Very high	101 Å²	101	71.3 Å²	71.3	47%	0.472	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.1	166.3	-167.6	156.6	-169.6	0	0	109	C67 S105 L106 Y107	C67-E126 PolarHBondContact SG-N 3.36Å; S105-E126 WeakPolarHBondContact CB-OE1 3.46Å; S105-E126 PolarHBondContact OG-OE1 3.21Å; L106-E126 WeakPolarHBondContact O-CA 3.49Å; Y107-E126 HydrophobicContact CD1-CB 3.91Å; Y107-E126 HydrophobicContact CD1-CG 4.18Å; Y107-E126 HydrophobicContact CE1-CB 3.87Å; Y107-E126 HydrophobicContact CE1-CG 3.86Å
127	K	94.2	Very high	92.7	Very high	83 Å²	83	66.1 Å²	66.1	36%	0.361	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	105.3	-177	-85.8	-79.7	-166.4	160.5	0	107.2	L106 L108 L187	L106-K127 HydrophobicContact CB-CB 4.29Å; L106-K127 HydrophobicContact CD2-CB 3.95Å; L106-K127 HydrophobicContact CG-CB 4.06Å; L106-K127 PolarHBondContact O-N 3.07Å; L108-K127 HydrophobicContact CB-CG 4.2Å; K127-L187 PolarHBondContact NZ-O 3.34Å
128	E	91.8	Very high	93.9	Very high	174 Å²	174	59.8 Å²	59.8	81%	0.813	31%	0.314	S	S	*	.			trans	-62.2	141.1	168.2	-63.9	-174	165.6	0	0	109.8
129	L	93.6	Very high	95	Very high	26 Å²	26	50.6 Å²	50.6	14%	0.136	28%	0.282	C	S	.	.			trans	-116.4	143.4	170.8	-68.5	177.1	0	0	0	109	L106 V133 F185 G190	L106-L129 HydrophobicContact CD2-CD1 4.11Å; L106-L129 HydrophobicContact CD2-CD2 4.11Å; L106-L129 HydrophobicContact CD2-CG 4.17Å; L129-V133 HydrophobicContact CB-CG1 4.22Å; L129-V133 HydrophobicContact CB-CG2 3.91Å; L129-V133 VanDerWaalsContact O-CG2 3.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.26Å; L129-F185 HydrophobicContact CD1-CD1 3.76Å; L129-F185 HydrophobicContact CD1-CD2 4.28Å; L129-F185 HydrophobicContact CD1-CE1 3.85Å; L129-F185 HydrophobicContact CD1-CE2 4.36Å; L129-F185 HydrophobicContact CD1-CG 4Å; L129-F185 HydrophobicContact CD1-CZ 4.16Å; L129-F185 HydrophobicContact CD2-CB 4.31Å; L129-F185 HydrophobicContact CD2-CG 4.45Å; L129-G190 CarbonylContact C-O 3.56Å; L129-G190 VanDerWaalsContact CA-O 3.29Å; L129-G190 WeakPolarHBondContact CA-O 3.37Å
130	V	94.6	Very high	95.7	Very high	82 Å²	82	47.4 Å²	47.4	50%	0.497	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	154.2	176.5	-62.7	0	0	0	0	111.5	G190 C191 S192	V130-G190 PolarHBondContact N-O 3.08Å; V130-C191 CarbonylContact O-C 3.48Å; V130-S192 PolarHBondContact O-N 2.8Å
131	G	94.8	Very high	96	Very high	67 Å²	67	48 Å²	48	69%	0.691	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	95.3	-135.4	-175	0	0	0	0	0	112	V133	G131-V133 VanDerWaalsContact C-N 3.31Å; G131-V133 PolarHBondContact O-N 2.96Å
132	E	96.6	Very high	96.2	Very high	111 Å²	111	47.2 Å²	47.2	52%	0.519	27%	0.268	S	S	.	.	S	Bend	trans	-85.7	73.8	-177.1	-61.4	177.7	122.1	0	0	110.3	F183 S192 A194	E132-F183 WeakPolarHBondContact O-CD1 3.35Å; E132-S192 PolarHBondContact N-O 2.84Å; E132-S192 WeakPolarHBondContact O-CB 3.49Å; E132-S192 PolarHBondContact O-OG 2.83Å; E132-A194 HydrophobicContact CB-CB 3.85Å; E132-A194 PolarHBondContact OE2-N 3.05Å
133	V	96.2	Very high	96.3	Very high	65 Å²	65	47.7 Å²	47.7	39%	0.394	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-73.4	135.1	-178.3	-173.7	0	0	0	0	110.5	L129 G131	L129-V133 HydrophobicContact CB-CG1 4.22Å; L129-V133 HydrophobicContact CB-CG2 3.91Å; L129-V133 VanDerWaalsContact O-CG2 3.25Å; L129-V133 WeakPolarHBondContact O-CG2 3.26Å; G131-V133 VanDerWaalsContact C-N 3.31Å; G131-V133 PolarHBondContact O-N 2.96Å
134	P	96.3	Very high	96.2	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.013	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-68.2	136.3	176.9	27.4	-35.6	0	0	0	112.7	M155 F183 F185	P134-M155 HydrophobicContact CB-CE 3.44Å; P134-M155 VanDerWaalsContact CB-CE 3.44Å; P134-M155 HydrophobicContact CB-SD 4.3Å; P134-M155 HydrophobicContact CG-CE 3.75Å; P134-M155 HydrophobicContact CG-SD 4.06Å; P134-F183 HydrophobicContact CB-CD1 3.86Å; P134-F183 HydrophobicContact CB-CD2 4.2Å; P134-F183 HydrophobicContact CB-CE1 3.78Å; P134-F183 HydrophobicContact CB-CE2 4.15Å; P134-F183 HydrophobicContact CB-CG 4.07Å; P134-F183 HydrophobicContact CB-CZ 3.95Å; P134-F183 HydrophobicContact CG-CD1 4.25Å; P134-F183 HydrophobicContact CG-CG 4.43Å; P134-F185 HydrophobicContact CG-CE1 3.95Å; P134-F185 HydrophobicContact CG-CZ 3.87Å
135	G	94.5	Very high	96.1	Very high	49 Å²	49	47.1 Å²	47.1	51%	0.505	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-61.7	152.5	168.1	0	0	0	0	0	113.3	R137	G135-R137 PolarHBondContact O-N 3.08Å; G135-R137 PolarHBondContact O-NE 2.95Å
136	A	97.1	Very high	95.9	Very high	32 Å²	32	47.3 Å²	47.3	26%	0.264	27%	0.271	S	S	.	.	S	Bend	trans	-50.5	125.2	-176.7	0	0	0	0	0	113.3	I102 S103 S160	I102-A136 HydrophobicContact CB-CB 4.13Å; I102-A136 HydrophobicContact CG2-CB 4.12Å; I102-A136 WeakPolarHBondContact O-CB 3.48Å; S103-A136 VanDerWaalsContact O-CA 3.28Å; S103-A136 WeakPolarHBondContact O-CA 3.38Å; S103-A136 WeakPolarHBondContact O-CB 3.46Å; A136-S160 WeakPolarHBondContact O-CB 3.49Å
137	R	98.4	Very high	95.8	Very high	11 Å²	11	42.9 Å²	42.9	4%	0.042	25%	0.252	C	S	.	.			trans	-151.8	158.8	-172	60.1	-178.2	73.4	-162.7	5.8	113.8	G94 G95 I102 S103 G135 H140 G157 R159	G94-R137 CarbonylContact C-O 3.56Å; G94-R137 WeakPolarHBondContact CA-O 3.31Å; G95-R137 PolarHBondContact N-O 2.87Å; I102-R137 VanDerWaalsContact CG2-C 3.44Å; I102-R137 VanDerWaalsContact CG2-N 3.3Å; S103-R137 PolarHBondContact O-N 3.03Å; G135-R137 PolarHBondContact O-N 3.08Å; G135-R137 PolarHBondContact O-NE 2.95Å; R137-H140 VanDerWaalsContact C-CE1 3.48Å; R137-H140 HydrophobicContact CG-CB 4.42Å; R137-H140 PolarHBondContact O-CE1 2.84Å; R137-G157 WeakPolarHBondContact CD-O 3.39Å; R137-G157 PolarHBondContact NH1-O 3.39Å; R137-R159 CarbonylContact C-O 3.56Å; R137-R159 WeakPolarHBondContact CA-O 3.44Å; R137-R159 WeakPolarHBondContact CB-O 3.46Å
138	Y	98.8	Very high	95.7	Very high	21 Å²	21	47.2 Å²	47.2	8%	0.082	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-136.5	159.2	174.1	74.9	-77.5	0	0	0	111.1	C74 R96 I102 H140 G158 R159 V175 F206	C74-Y138 HydrophobicContact CB-CD2 4.06Å; C74-Y138 WeakPolarHBondContact O-CA 3.39Å; R96-Y138 HydrophobicContact CG-CD1 3.87Å; R96-Y138 HydrophobicContact CG-CD2 4.11Å; R96-Y138 HydrophobicContact CG-CE1 4.36Å; R96-Y138 HydrophobicContact CG-CG 3.74Å; I102-Y138 HydrophobicContact CD1-CD1 3.98Å; I102-Y138 HydrophobicContact CD1-CE1 4.21Å; I102-Y138 HydrophobicContact CG1-CD1 4.41Å; I102-Y138 HydrophobicContact CG2-CD1 4.45Å; Y138-H140 PolarHBondContact O-N 2.86Å; Y138-G158 CarbonylContact O-C 3.57Å; Y138-G158 WeakPolarHBondContact O-CA 3.35Å; Y138-R159 HydrophobicContact CD1-CB 4.19Å; Y138-R159 VanDerWaalsContact CD1-O 3.26Å; Y138-R159 WeakPolarHBondContact CD1-O 2.9Å; Y138-R159 HydrophobicContact CE1-CB 3.68Å; Y138-R159 PolarHBondContact N-O 2.85Å; Y138-R159 PolarHBondContact O-N 2.79Å; Y138-V175 HydrophobicContact CE1-CG1 4.1Å; Y138-F206 HydrophobicContact CD2-CZ 4.14Å; Y138-F206 AromaticContact CE2-CZ 3.86Å; Y138-F206 HydrophobicContact CE2-CZ 3.86Å
139	G	98.4	Very high	95.5	Very high	7 Å²	7	42.2 Å²	42.2	7%	0.072	26%	0.261	C	S	.	.	S	Bend	trans	65.8	21.5	-177.5	0	0	0	0	0	113.9	C74 S205 F206	C74-G139 PolarHBondContact O-N 2.97Å; G139-S205 CarbonylContact O-C 3.54Å; G139-S205 WeakPolarHBondContact O-CA 3.44Å; G139-F206 PolarHBondContact O-N 2.86Å
140	H	98.7	Very high	95.3	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.051	28%	0.276	C	S	.	.			trans	-88.8	169.2	166.8	54.7	-61.4	0	0	0	110.7	A76 H93 G94 G95 R137 Y138 M155 F156 G157	A76-H140 WeakPolarHBondContact CB-CD2 3.29Å; A76-H140 WeakPolarHBondContact CB-NE2 3.43Å; A76-H140 WeakPolarHBondContact CB-O 3.38Å; A76-H140 PolarHBondContact N-CE1 2.87Å; H93-H140 VanDerWaalsContact C-CE1 3.41Å; H93-H140 WeakPolarHBondContact CA-NE2 3.38Å; H93-H140 WeakPolarHBondContact CB-NE2 3.49Å; H93-H140 AromaticContact CE1-NE2 3.57Å; H93-H140 AromaticContact CG-NE2 2.93Å; H93-H140 AromaticContact ND1-CD2 3.69Å; H93-H140 AromaticContact ND1-NE2 2.44Å; H93-H140 PolarHBondContact ND1-NE2 2.93Å; H93-H140 PolarHBondContact O-CE1 2.88Å; H93-H140 PolarHBondContact O-NE2 2.82Å; G94-H140 WeakPolarHBondContact CA-CE1 3.34Å; G95-H140 PolarHBondContact N-CE1 2.92Å; R137-H140 VanDerWaalsContact C-CE1 3.48Å; R137-H140 HydrophobicContact CG-CB 4.42Å; R137-H140 PolarHBondContact O-CE1 2.84Å; Y138-H140 PolarHBondContact O-N 2.86Å; H140-M155 PolarHBondContact CD2-SD 3.2Å; H140-F156 WeakPolarHBondContact CB-O 3.32Å; H140-G157 WeakPolarHBondContact CB-O 3.31Å
141	A	98.3	Very high	95.2	Very high	13 Å²	13	44.2 Å²	44.2	11%	0.107	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	155.3	172.8	0	0	0	0	0	112.2	M155 F156 H207 A209	A141-M155 WeakPolarHBondContact O-CA 3.2Å; A141-M155 VanDerWaalsContact O-CG 3.26Å; A141-M155 WeakPolarHBondContact O-CG 3.35Å; A141-F156 PolarHBondContact N-O 2.78Å; A141-F156 PolarHBondContact O-N 2.9Å; A141-F156 VanDerWaalsContact O-N 3.16Å; A141-H207 WeakPolarHBondContact CB-NE2 3.47Å; A141-A209 HydrophobicContact CB-CB 3.52Å
142	M	97.7	Very high	95.1	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.044	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.1	166	-79.1	-168.6	-52.2	0	0	109.8	A76 C78 L91 H93 L106 V154 M155 F185	A76-M142 HydrophobicContact CB-CB 4.05Å; A76-M142 HydrophobicContact CB-CE 3.99Å; A76-M142 HydrophobicContact CB-CG 3.71Å; A76-M142 HydrophobicContact CB-SD 4.44Å; A76-M142 WeakPolarHBondContact O-CE 3.37Å; C78-M142 HydrophobicContact CB-CB 3.79Å; C78-M142 HydrophobicContact CB-CE 4.29Å; L91-M142 HydrophobicContact CB-CE 3.81Å; L91-M142 WeakPolarHBondContact O-CE 3.32Å; H93-M142 HydrophobicContact CB-CE 3.58Å; H93-M142 HydrophobicContact CB-SD 3.58Å; H93-M142 VanDerWaalsContact CB-SD 3.58Å; L106-M142 HydrophobicContact CD1-CE 4.34Å; L106-M142 HydrophobicContact CD1-SD 4.25Å; M142-V154 CarbonylContact C-O 3.52Å; M142-V154 VanDerWaalsContact CA-O 3.23Å; M142-V154 WeakPolarHBondContact CA-O 3.36Å; M142-M155 HydrophobicContact CG-CB 3.92Å; M142-M155 HydrophobicContact CG-CG 3.67Å; M142-F185 HydrophobicContact SD-CE2 3.99Å
143	S	96.8	Very high	95.2	Very high	9 Å²	9	36 Å²	36	6%	0.063	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	139.3	176.7	-72.9	0	0	0	0	110.9	C78 V154	C78-S143 WeakPolarHBondContact SG-CA 3.22Å; S143-V154 PolarHBondContact N-O 2.81Å; S143-V154 PolarHBondContact O-N 2.88Å
144	I	95.1	Very high	95.3	Very high	30 Å²	30	33 Å²	33	15%	0.154	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.8	172.8	-56.3	-54.5	0	0	0	109.6	L80 L91 T151 A152 C153 L187 A211	L80-I144 HydrophobicContact CD2-CD1 3.7Å; L80-I144 HydrophobicContact CD2-CG1 3.83Å; L80-I144 HydrophobicContact CG-CD1 4.35Å; L80-I144 HydrophobicContact CG-CG1 4.4Å; L91-I144 HydrophobicContact CD1-CD1 4.16Å; I144-T151 HydrophobicContact CG2-CG2 3.39Å; I144-A152 WeakPolarHBondContact CA-O 3.42Å; I144-C153 HydrophobicContact CD1-CB 3.98Å; I144-L187 HydrophobicContact CD1-CD1 4.16Å; I144-A211 WeakPolarHBondContact O-CB 3.32Å
145	V	94.5	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.9	165.4	-68.8	0	0	0	0	110.1	T151 A152 V154 E213 V216 V238	V145-T151 WeakPolarHBondContact O-CA 3.48Å; V145-A152 HydrophobicContact CG2-CB 4.13Å; V145-A152 PolarHBondContact N-O 2.9Å; V145-A152 PolarHBondContact O-N 3.4Å; V145-V154 HydrophobicContact CB-CG2 4.34Å; V145-V154 HydrophobicContact CG1-CG2 3.66Å; V145-V154 HydrophobicContact CG2-CG2 3.76Å; V145-E213 CarbonylContact C-O 3.56Å; V145-E213 WeakPolarHBondContact CA-O 3.45Å; V145-V216 HydrophobicContact CG1-CG2 3.35Å; V145-V238 HydrophobicContact CG2-CB 4.11Å; V145-V238 HydrophobicContact CG2-CG1 4.22Å
146	Q	92.6	Very high	95.6	Very high	90 Å²	90	30.6 Å²	30.6	42%	0.421	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.7	173.4	-69.4	-173.9	-15.8	0	0	109.4	K150 T151 E213 D214	Q146-K150 CarbonylContact C-O 3.54Å; Q146-K150 VanDerWaalsContact CA-O 3.3Å; Q146-K150 WeakPolarHBondContact CA-O 3.37Å; Q146-T151 HydrophobicContact CG-CG2 4.33Å; Q146-E213 PolarHBondContact N-O 3.03Å; Q146-E213 CarbonylContact O-C 3.5Å; Q146-D214 PolarHBondContact O-N 2.96Å
147	S	93.8	Very high	95.6	Very high	8 Å²	8	29.1 Å²	29.1	6%	0.056	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	127	-177.1	-171.7	0	0	0	0	110.3	G149 K150 V238 E239 L240	S147-G149 PolarHBondContact O-N 2.98Å; S147-G149 VanDerWaalsContact O-N 3.13Å; S147-K150 PolarHBondContact N-O 3.27Å; S147-K150 PolarHBondContact O-N 3.17Å; S147-V238 WeakPolarHBondContact CB-O 3.48Å; S147-V238 PolarHBondContact OG-O 3.09Å; S147-E239 WeakPolarHBondContact OG-CA 3.38Å; S147-L240 PolarHBondContact OG-N 2.85Å
148	R	90.6	Very high	95.6	Very high	175 Å²	175	28.6 Å²	28.6	66%	0.66	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.9	32.3	177	-55.2	174	176.6	-129.9	4.2	114	E239	R148-E239 IonicContact CZ-OE2 2.64Å; R148-E239 IonicContact NE-OE2 3.9Å; R148-E239 PolarHBondContact NE-OE2 2.92Å; R148-E239 IonicContact NH2-OE2 3.57Å; R148-E239 PolarHBondContact NH2-OE2 2.87Å
149	G	87.5	Confident	95.6	Very high	69 Å²	69	29.1 Å²	29.1	71%	0.711	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.6	7.6	-177.7	0	0	0	0	0	115.2	S147	S147-G149 PolarHBondContact O-N 2.98Å; S147-G149 VanDerWaalsContact O-N 3.13Å
150	K	90.4	Very high	95.6	Very high	101 Å²	101	30.2 Å²	30.2	44%	0.439	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	157.7	172	-59.1	-176	-177.5	-176.1	0	110.9	Q146 S147 L240 L241	Q146-K150 CarbonylContact C-O 3.54Å; Q146-K150 VanDerWaalsContact CA-O 3.3Å; Q146-K150 WeakPolarHBondContact CA-O 3.37Å; S147-K150 PolarHBondContact N-O 3.27Å; S147-K150 PolarHBondContact O-N 3.17Å; K150-L240 HydrophobicContact CB-CB 3.98Å; K150-L240 HydrophobicContact CB-CD1 3.76Å; K150-L240 HydrophobicContact CD-CB 4Å; K150-L241 PolarHBondContact NZ-O 2.97Å
151	T	91.6	Very high	95.5	Very high	49 Å²	49	31 Å²	31	30%	0.301	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.7	179.2	-57.9	0	0	0	0	110.3	I144 V145 Q146	I144-T151 HydrophobicContact CG2-CG2 3.39Å; V145-T151 WeakPolarHBondContact O-CA 3.48Å; Q146-T151 HydrophobicContact CG-CG2 4.33Å
152	A	94.6	Very high	95.2	Very high	6 Å²	6	32.2 Å²	32.2	5%	0.05	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.1	172.7	0	0	0	0	0	110.9	I144 V145 F185 L240	I144-A152 WeakPolarHBondContact CA-O 3.42Å; V145-A152 HydrophobicContact CG2-CB 4.13Å; V145-A152 PolarHBondContact N-O 2.9Å; V145-A152 PolarHBondContact O-N 3.4Å; A152-F185 WeakPolarHBondContact CA-O 3.27Å; A152-L240 HydrophobicContact CB-CD1 3.82Å; A152-L240 HydrophobicContact CB-CD2 3.9Å
153	C	96.9	Very high	94.8	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	124.5	169.2	-172.5	0	0	0	0	109.9	L91 I144 L184 F185 L187	L91-C153 HydrophobicContact CD1-CB 4.09Å; I144-C153 HydrophobicContact CD1-CB 3.98Å; C153-L184 WeakPolarHBondContact O-CA 3.5Å; C153-F185 HydrophobicContact CB-CB 4.17Å; C153-F185 HydrophobicContact CB-CD2 3.87Å; C153-F185 HydrophobicContact CB-CG 4.42Å; C153-F185 PolarHBondContact N-O 2.82Å; C153-F185 PolarHBondContact O-N 3.37Å; C153-L187 HydrophobicContact CB-CD1 4.35Å; C153-L187 HydrophobicContact CB-CD2 4.16Å; C153-L187 HydrophobicContact CB-CG 4.42Å
154	V	98.3	Very high	94.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	136.5	168.7	-176.5	0	0	0	0	108.7	M142 S143 V145 V182 F183 L184 V216 F218 L236 V238	M142-V154 CarbonylContact C-O 3.52Å; M142-V154 VanDerWaalsContact CA-O 3.23Å; M142-V154 WeakPolarHBondContact CA-O 3.36Å; S143-V154 PolarHBondContact N-O 2.81Å; S143-V154 PolarHBondContact O-N 2.88Å; V145-V154 HydrophobicContact CB-CG2 4.34Å; V145-V154 HydrophobicContact CG1-CG2 3.66Å; V145-V154 HydrophobicContact CG2-CG2 3.76Å; V154-V182 HydrophobicContact CG1-CG1 3.92Å; V154-F183 CarbonylContact C-O 3.59Å; V154-F183 WeakPolarHBondContact CA-O 3.46Å; V154-L184 HydrophobicContact CB-CD2 4.34Å; V154-L184 HydrophobicContact CG1-CD2 4.49Å; V154-L184 HydrophobicContact CG2-CD2 3.76Å; V154-V216 HydrophobicContact CB-CG2 4.1Å; V154-V216 HydrophobicContact CG1-CG2 4.31Å; V154-V216 HydrophobicContact CG2-CG2 3.8Å; V154-F218 HydrophobicContact CG1-CZ 4.06Å; V154-L236 HydrophobicContact CG1-CD2 3.54Å; V154-L236 HydrophobicContact CG2-CD2 4.43Å; V154-V238 HydrophobicContact CG2-CG2 4.14Å
155	M	98.4	Very high	93.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137.4	169.8	-168.8	-153.7	68.7	0	0	111.1	H93 P134 H140 A141 M142 F183 F185	H93-M155 VanDerWaalsContact CE1-SD 3.56Å; H93-M155 PolarHBondContact ND1-SD 2.89Å; P134-M155 HydrophobicContact CB-CE 3.44Å; P134-M155 VanDerWaalsContact CB-CE 3.44Å; P134-M155 HydrophobicContact CB-SD 4.3Å; P134-M155 HydrophobicContact CG-CE 3.75Å; P134-M155 HydrophobicContact CG-SD 4.06Å; H140-M155 PolarHBondContact CD2-SD 3.2Å; A141-M155 WeakPolarHBondContact O-CA 3.2Å; A141-M155 VanDerWaalsContact O-CG 3.26Å; A141-M155 WeakPolarHBondContact O-CG 3.35Å; M142-M155 HydrophobicContact CG-CB 3.92Å; M142-M155 HydrophobicContact CG-CG 3.67Å; M155-F183 HydrophobicContact CB-CB 4.33Å; M155-F183 HydrophobicContact CE-CB 4.12Å; M155-F183 HydrophobicContact CE-CD2 3.41Å; M155-F183 VanDerWaalsContact CE-CD2 3.41Å; M155-F183 HydrophobicContact CE-CE2 4.04Å; M155-F183 HydrophobicContact CE-CG 3.86Å; M155-F183 PolarHBondContact N-O 2.64Å; M155-F183 PolarHBondContact O-N 3.37Å; M155-F185 HydrophobicContact CB-CE2 3.96Å; M155-F185 HydrophobicContact CB-CZ 3.76Å; M155-F185 HydrophobicContact CE-CZ 4.49Å; M155-F185 HydrophobicContact CG-CZ 4.33Å; M155-F185 HydrophobicContact SD-CZ 3.92Å
156	F	98.6	Very high	93.6	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	148.4	-178.3	-179.6	-122	0	0	0	113.8	H140 A141 P180 V182 L200 Q204 H207 F218	H140-F156 WeakPolarHBondContact CB-O 3.32Å; A141-F156 PolarHBondContact N-O 2.78Å; A141-F156 PolarHBondContact O-N 2.9Å; A141-F156 VanDerWaalsContact O-N 3.16Å; F156-P180 HydrophobicContact CE2-CB 4.08Å; F156-P180 HydrophobicContact CZ-CB 4.41Å; F156-V182 HydrophobicContact CD2-CG2 3.96Å; F156-L200 HydrophobicContact CD2-CD1 4.3Å; F156-L200 HydrophobicContact CE1-CD2 4.46Å; F156-L200 HydrophobicContact CE2-CB 4.37Å; F156-L200 HydrophobicContact CE2-CD1 3.75Å; F156-L200 HydrophobicContact CE2-CG 4.46Å; F156-L200 HydrophobicContact CZ-CB 4.32Å; F156-L200 HydrophobicContact CZ-CD1 3.99Å; F156-L200 HydrophobicContact CZ-CD2 4.01Å; F156-L200 HydrophobicContact CZ-CG 4.33Å; F156-Q204 HydrophobicContact CE1-CG 3.81Å; F156-Q204 HydrophobicContact CZ-CG 4.15Å; F156-H207 AromaticContact CD1-CE1 3.74Å; F156-H207 AromaticContact CD1-NE2 3.74Å; F156-H207 PolarHBondContact O-CE1 3.35Å; F156-F218 HydrophobicContact CB-CE1 3.76Å; F156-F218 HydrophobicContact CB-CE2 4.18Å; F156-F218 HydrophobicContact CB-CZ 3.56Å; F156-F218 HydrophobicContact CD1-CD1 4.02Å; F156-F218 HydrophobicContact CD1-CD2 4.01Å; F156-F218 HydrophobicContact CD1-CE1 4.08Å; F156-F218 HydrophobicContact CD1-CE2 4.06Å; F156-F218 AromaticContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CZ 4.11Å; F156-F218 HydrophobicContact CE1-CD2 4.49Å; F156-F218 HydrophobicContact CG-CE1 4.35Å; F156-F218 HydrophobicContact CG-CE2 4.24Å; F156-F218 HydrophobicContact CG-CZ 4.1Å
157	G	98.3	Very high	93.4	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.275	C	S	.	.			trans	66.6	-147.6	171.1	0	0	0	0	0	115.7	R137 H140 Q204	R137-G157 WeakPolarHBondContact CD-O 3.39Å; R137-G157 PolarHBondContact NH1-O 3.39Å; H140-G157 WeakPolarHBondContact CB-O 3.31Å; G157-Q204 CarbonylContact C-O 3.55Å; G157-Q204 VanDerWaalsContact CA-O 3.26Å; G157-Q204 WeakPolarHBondContact CA-O 3.41Å
158	G	98.4	Very high	93.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	29%	0.291	C	S	.	.			trans	96.8	176.7	-178.3	0	0	0	0	0	114.6	Y138 D177 C178 Q204	Y138-G158 CarbonylContact O-C 3.57Å; Y138-G158 WeakPolarHBondContact O-CA 3.35Å; G158-D177 CarbonylContact O-C 3.6Å; G158-D177 WeakPolarHBondContact O-CA 3.44Å; G158-C178 PolarHBondContact O-N 3.07Å; G158-Q204 PolarHBondContact N-O 2.94Å
159	R	98.4	Very high	93.1	Very high	32 Å²	32	46.3 Å²	46.3	12%	0.121	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	146.6	172.4	-68.8	-176.8	-163	178.3	10.9	112.3	R137 Y138 V175 V176 D177 S205 H222	R137-R159 CarbonylContact C-O 3.56Å; R137-R159 WeakPolarHBondContact CA-O 3.44Å; R137-R159 WeakPolarHBondContact CB-O 3.46Å; Y138-R159 HydrophobicContact CD1-CB 4.19Å; Y138-R159 VanDerWaalsContact CD1-O 3.26Å; Y138-R159 WeakPolarHBondContact CD1-O 2.9Å; Y138-R159 HydrophobicContact CE1-CB 3.68Å; Y138-R159 PolarHBondContact N-O 2.85Å; Y138-R159 PolarHBondContact O-N 2.79Å; R159-V175 HydrophobicContact CB-CB 4.45Å; R159-V176 CarbonylContact C-O 3.57Å; R159-V176 WeakPolarHBondContact CA-O 3.03Å; R159-V176 WeakPolarHBondContact CB-O 3.37Å; R159-D177 WeakPolarHBondContact CG-OD1 3.36Å; R159-D177 IonicContact NE-OD1 3.91Å; R159-D177 PolarHBondContact NE-OD1 2.93Å; R159-S205 PolarHBondContact NE-OG 3.07Å; R159-S205 PolarHBondContact NH2-OG 2.91Å; R159-S205 VanDerWaalsContact NH2-OG 3.15Å; R159-H222 PolarHBondContact NH2-CE1 2.93Å; R159-H222 PolarHBondContact NH2-ND1 3.45Å
160	S	97.7	Very high	93.3	Very high	30 Å²	30	51.1 Å²	51.1	21%	0.21	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	168.2	166.9	59.3	0	0	0	0	110	A136 V175 V176	A136-S160 WeakPolarHBondContact O-CB 3.49Å; S160-V175 CarbonylContact O-C 3.52Å; S160-V175 WeakPolarHBondContact O-CA 3.14Å; S160-V175 VanDerWaalsContact O-CB 3.26Å; S160-V175 WeakPolarHBondContact O-CB 3.23Å; S160-V176 PolarHBondContact N-O 3.28Å; S160-V176 PolarHBondContact O-N 3.26Å
161	Y	96.3	Very high	93.2	Very high	29 Å²	29	54 Å²	54	11%	0.114	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	160.5	164.3	-76.5	-56.8	0	0	0	111.2	R96 N100 I102 R167 N173 V175	R96-Y161 PolarHBondContact NH2-OH 2.81Å; N100-Y161 WeakPolarHBondContact O-CE2 3.36Å; N100-Y161 PolarHBondContact O-OH 2.96Å; I102-Y161 HydrophobicContact CD1-CD2 3.46Å; I102-Y161 VanDerWaalsContact CD1-CD2 3.46Å; I102-Y161 HydrophobicContact CD1-CE2 3.86Å; I102-Y161 HydrophobicContact CD1-CG 3.92Å; I102-Y161 HydrophobicContact CG1-CD2 3.72Å; I102-Y161 HydrophobicContact CG1-CE2 3.69Å; Y161-R167 VanDerWaalsContact CD2-NH2 3.34Å; Y161-R167 VanDerWaalsContact CG-NH2 3.35Å; Y161-N173 HydrophobicContact CE1-CB 4.49Å; Y161-N173 PolarHBondContact OH-OD1 2.88Å; Y161-V175 HydrophobicContact CD1-CG1 3.69Å; Y161-V175 HydrophobicContact CE1-CG1 3.98Å
162	M	92.5	Very high	93	Very high	38 Å²	38	57.8 Å²	57.8	19%	0.187	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-49.4	142.1	167.6	-69.1	-68.3	-71.5	0	0	111.2	E166 R167 S174 V176	M162-E166 HydrophobicContact CE-CB 3.99Å; M162-E166 WeakPolarHBondContact CE-OE2 3.42Å; M162-R167 HydrophobicContact CB-CB 4.15Å; M162-R167 HydrophobicContact CB-CG 4.4Å; M162-S174 PolarHBondContact N-O 3.13Å; M162-S174 VanDerWaalsContact N-O 3.16Å; M162-V176 HydrophobicContact SD-CG1 3.58Å; M162-V176 VanDerWaalsContact SD-CG1 3.58Å
163	P	90.1	Very high	92.8	Very high	66 Å²	66	60 Å²	60	43%	0.429	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-53.9	147.4	176.1	-26.2	35	0	0	0	112.8	G165 E166 R167	P163-G165 PolarHBondContact O-N 3.36Å; P163-E166 PolarHBondContact O-N 3.23Å; P163-R167 PolarHBondContact O-N 3.21Å
164	A	85.1	Confident	92.7	Very high	102 Å²	102	61.9 Å²	61.9	84%	0.843	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.9	-173.7	0	0	0	0	0	114.7
165	G	87.6	Confident	92.6	Very high	82 Å²	82	63.1 Å²	63.1	85%	0.845	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.4	173.6	0	0	0	0	0	115.1	P163	P163-G165 PolarHBondContact O-N 3.36Å
166	E	87.9	Confident	92.6	Very high	124 Å²	124	65.3 Å²	65.3	58%	0.579	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-13.9	-176.4	-65.4	170.1	-146.4	0	0	112.7	M162 P163 T168	M162-E166 HydrophobicContact CE-CB 3.99Å; M162-E166 WeakPolarHBondContact CE-OE2 3.42Å; P163-E166 PolarHBondContact O-N 3.23Å; E166-T168 PolarHBondContact O-N 3.3Å
167	R	89	Confident	92.5	Very high	57 Å²	57	66.1 Å²	66.1	22%	0.215	37%	0.365	C	S	.	.			trans	-82.5	108.6	-174.1	-167.6	-178	-169.6	-172.6	4.6	111.8	Y161 M162 P163 W172	Y161-R167 VanDerWaalsContact CD2-NH2 3.34Å; Y161-R167 VanDerWaalsContact CG-NH2 3.35Å; M162-R167 HydrophobicContact CB-CB 4.15Å; M162-R167 HydrophobicContact CB-CG 4.4Å; P163-R167 PolarHBondContact O-N 3.21Å; R167-W172 HydrophobicContact CG-CE3 3.81Å; R167-W172 HydrophobicContact CG-CZ3 4.15Å; R167-W172 PolarHBondContact NE-O 2.88Å; R167-W172 PolarHBondContact NH2-O 3.11Å
168	T	88.9	Confident	92.5	Very high	63 Å²	63	66.3 Å²	66.3	39%	0.387	37%	0.366	S	S	.	.			trans	-86.5	171.6	170.1	67.8	0	0	0	0	111.7	E166 E170 R171 W172	E166-T168 PolarHBondContact O-N 3.3Å; T168-E170 VanDerWaalsContact C-N 3.35Å; T168-R171 CarbonylContact O-C 3.54Å; T168-R171 PolarHBondContact OG1-N 3.04Å; T168-W172 VanDerWaalsContact O-CA 3.28Å; T168-W172 WeakPolarHBondContact O-CA 3.38Å; T168-W172 PolarHBondContact O-N 2.88Å
169	T	89.6	Confident	92.4	Very high	123 Å²	123	70.1 Å²	70.1	76%	0.755	39%	0.391	S	S	*	.	S	Bend	trans	-65.8	-36.4	170.3	42.5	0	0	0	0	112.5	W172	T169-W172 VanDerWaalsContact O-CB 3.3Å; T169-W172 WeakPolarHBondContact O-CB 3.06Å; T169-W172 PolarHBondContact O-N 2.94Å
170	E	90.9	Very high	92.3	Very high	170 Å²	170	69.8 Å²	69.8	79%	0.794	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-44.6	175.5	-61.5	166.4	175	0	0	111.3	T168 W172	T168-E170 VanDerWaalsContact C-N 3.35Å; E170-W172 VanDerWaalsContact C-N 3.3Å; E170-W172 PolarHBondContact O-N 2.79Å
171	R	87.8	Confident	92.3	Very high	160 Å²	160	71.2 Å²	71.2	60%	0.604	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	26.8	178.6	-63.7	-174.4	-179.7	-169.9	-2.8	112.5	T168 N173 S174	T168-R171 CarbonylContact O-C 3.54Å; T168-R171 PolarHBondContact OG1-N 3.04Å; R171-N173 VanDerWaalsContact C-N 3.29Å; R171-N173 PolarHBondContact O-N 2.96Å; R171-S174 WeakPolarHBondContact CB-OG 3.47Å; R171-S174 WeakPolarHBondContact O-CB 3.36Å; R171-S174 PolarHBondContact O-N 2.88Å; R171-S174 VanDerWaalsContact O-N 3.12Å; R171-S174 PolarHBondContact O-OG 2.88Å
172	W	87.8	Confident	92.4	Very high	129 Å²	129	69.9 Å²	69.9	49%	0.489	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-36.5	-172.1	-172.9	-103.3	0	0	0	112.5	R167 T168 T169 E170	R167-W172 HydrophobicContact CG-CE3 3.81Å; R167-W172 HydrophobicContact CG-CZ3 4.15Å; R167-W172 PolarHBondContact NE-O 2.88Å; R167-W172 PolarHBondContact NH2-O 3.11Å; T168-W172 VanDerWaalsContact O-CA 3.28Å; T168-W172 WeakPolarHBondContact O-CA 3.38Å; T168-W172 PolarHBondContact O-N 2.88Å; T169-W172 VanDerWaalsContact O-CB 3.3Å; T169-W172 WeakPolarHBondContact O-CB 3.06Å; T169-W172 PolarHBondContact O-N 2.94Å; E170-W172 VanDerWaalsContact C-N 3.3Å; E170-W172 PolarHBondContact O-N 2.79Å
173	N	91	Very high	92.7	Very high	52 Å²	52	68.5 Å²	68.5	28%	0.278	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	0.1	177.9	-81.1	-45.2	0	0	0	114.6	Y161 R171 Y386	Y161-N173 HydrophobicContact CE1-CB 4.49Å; Y161-N173 PolarHBondContact OH-OD1 2.88Å; R171-N173 VanDerWaalsContact C-N 3.29Å; R171-N173 PolarHBondContact O-N 2.96Å; N173-Y386 HydrophobicContact CB-CE2 3.96Å; N173-Y386 VanDerWaalsContact ND2-CZ 3.28Å; N173-Y386 PolarHBondContact ND2-OH 2.91Å
174	S	94.3	Very high	93	Very high	40 Å²	40	65.6 Å²	65.6	28%	0.28	37%	0.365	S	S	.	.			trans	-65.9	138.1	178	-55.8	0	0	0	0	111.5	M162 R171	M162-S174 PolarHBondContact N-O 3.13Å; M162-S174 VanDerWaalsContact N-O 3.16Å; R171-S174 WeakPolarHBondContact CB-OG 3.47Å; R171-S174 WeakPolarHBondContact O-CB 3.36Å; R171-S174 PolarHBondContact O-N 2.88Å; R171-S174 VanDerWaalsContact O-N 3.12Å; R171-S174 PolarHBondContact O-OG 2.88Å
175	V	96.8	Very high	93.6	Very high	27 Å²	27	60.8 Å²	60.8	16%	0.164	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	157.5	-174.8	-69	0	0	0	0	111.1	Y138 R159 S160 Y161 I224	Y138-V175 HydrophobicContact CE1-CG1 4.1Å; R159-V175 HydrophobicContact CB-CB 4.45Å; S160-V175 CarbonylContact O-C 3.52Å; S160-V175 WeakPolarHBondContact O-CA 3.14Å; S160-V175 VanDerWaalsContact O-CB 3.26Å; S160-V175 WeakPolarHBondContact O-CB 3.23Å; Y161-V175 HydrophobicContact CD1-CG1 3.69Å; Y161-V175 HydrophobicContact CE1-CG1 3.98Å; V175-I224 HydrophobicContact CG2-CD1 3.92Å
176	V	97.1	Very high	93.8	Very high	47 Å²	47	59.7 Å²	59.7	29%	0.285	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	152.1	172.7	-72	0	0	0	0	109	R159 S160 M162	R159-V176 CarbonylContact C-O 3.57Å; R159-V176 WeakPolarHBondContact CA-O 3.03Å; R159-V176 WeakPolarHBondContact CB-O 3.37Å; S160-V176 PolarHBondContact N-O 3.28Å; S160-V176 PolarHBondContact O-N 3.26Å; M162-V176 HydrophobicContact SD-CG1 3.58Å; M162-V176 VanDerWaalsContact SD-CG1 3.58Å
177	D	97.9	Very high	93.6	Very high	17 Å²	17	55.7 Å²	55.7	9%	0.091	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	139.7	164.2	-72.4	-54.4	0	0	0	109.1	G158 R159 S205 S223 I224	G158-D177 CarbonylContact O-C 3.6Å; G158-D177 WeakPolarHBondContact O-CA 3.44Å; R159-D177 WeakPolarHBondContact CG-OD1 3.36Å; R159-D177 IonicContact NE-OD1 3.91Å; R159-D177 PolarHBondContact NE-OD1 2.93Å; D177-S205 WeakPolarHBondContact OD1-CB 3.46Å; D177-S205 PolarHBondContact OD1-N 2.92Å; D177-S205 PolarHBondContact OD1-OG 2.79Å; D177-S223 WeakPolarHBondContact OD2-CA 3.44Å; D177-I224 HydrophobicContact CB-CG2 4.3Å; D177-I224 WeakPolarHBondContact OD2-CB 3.35Å; D177-I224 VanDerWaalsContact OD2-CG2 3.3Å; D177-I224 WeakPolarHBondContact OD2-CG2 3.29Å; D177-I224 PolarHBondContact OD2-N 2.81Å
178	C	97.6	Very high	93.5	Very high	4 Å²	4	60.6 Å²	60.6	3%	0.027	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-67.2	154.1	177.5	-60.8	0	0	0	0	110.5	G158 G203	G158-C178 PolarHBondContact O-N 3.07Å; C178-G203 WeakPolarHBondContact O-CA 3.33Å
179	P	96.6	Very high	93.4	Very high	81 Å²	81	64 Å²	64	53%	0.526	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-49.9	139.4	171.8	-27.9	35.4	0	0	0	111.6	Q181	P179-Q181 HydrophobicContact CB-CG 4.5Å; P179-Q181 PolarHBondContact O-N 2.84Å
180	P	96.1	Very high	93.4	Very high	24 Å²	24	58.8 Å²	58.8	16%	0.156	29%	0.288	C	S	.	.			trans	-77.7	50.5	-171.5	32.9	-37.7	0	0	0	113.3	F156 L200 D202	F156-P180 HydrophobicContact CE2-CB 4.08Å; F156-P180 HydrophobicContact CZ-CB 4.41Å; P180-L200 HydrophobicContact CB-CB 4.29Å; P180-L200 VanDerWaalsContact CB-O 3.29Å; P180-L200 WeakPolarHBondContact CB-O 3.44Å; P180-L200 WeakPolarHBondContact CG-O 2.93Å; P180-D202 WeakPolarHBondContact CB-O 3.45Å
181	Q	97.3	Very high	93.5	Very high	61 Å²	61	53.4 Å²	53.4	29%	0.285	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	137.7	172.8	-60.5	-178	-73.3	0	0	110.3	P179 F183 H195	P179-Q181 HydrophobicContact CB-CG 4.5Å; P179-Q181 PolarHBondContact O-N 2.84Å; Q181-F183 HydrophobicContact CB-CD2 4.45Å; Q181-F183 HydrophobicContact CB-CE2 3.77Å; Q181-F183 HydrophobicContact CB-CZ 4.11Å; Q181-F183 WeakPolarHBondContact O-CD2 3.44Å; Q181-H195 WeakPolarHBondContact CA-O 3.48Å
182	V	98.3	Very high	93.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.3	166.6	172.8	0	0	0	0	108	V154 F156 L184 H195 L197 L200 L236 L247	V154-V182 HydrophobicContact CG1-CG1 3.92Å; F156-V182 HydrophobicContact CD2-CG2 3.96Å; V182-L184 HydrophobicContact CG1-CD2 4.35Å; V182-H195 HydrophobicContact CB-CB 4.49Å; V182-H195 PolarHBondContact N-O 2.7Å; V182-H195 PolarHBondContact O-N 2.99Å; V182-L197 HydrophobicContact CG2-CD1 4.02Å; V182-L200 HydrophobicContact CG2-CD1 3.66Å; V182-L236 HydrophobicContact CG1-CD2 3.65Å; V182-L236 HydrophobicContact CG2-CD2 4.21Å; V182-L247 HydrophobicContact CG1-CD2 4.07Å
183	F	98.4	Very high	94.3	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.039	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	136.6	173.1	-62.6	-102	0	0	0	109.3	E132 P134 V154 M155 Q181 F185 S193 A194	E132-F183 WeakPolarHBondContact O-CD1 3.35Å; P134-F183 HydrophobicContact CB-CD1 3.86Å; P134-F183 HydrophobicContact CB-CD2 4.2Å; P134-F183 HydrophobicContact CB-CE1 3.78Å; P134-F183 HydrophobicContact CB-CE2 4.15Å; P134-F183 HydrophobicContact CB-CG 4.07Å; P134-F183 HydrophobicContact CB-CZ 3.95Å; P134-F183 HydrophobicContact CG-CD1 4.25Å; P134-F183 HydrophobicContact CG-CG 4.43Å; V154-F183 CarbonylContact C-O 3.59Å; V154-F183 WeakPolarHBondContact CA-O 3.46Å; M155-F183 HydrophobicContact CB-CB 4.33Å; M155-F183 HydrophobicContact CE-CB 4.12Å; M155-F183 HydrophobicContact CE-CD2 3.41Å; M155-F183 VanDerWaalsContact CE-CD2 3.41Å; M155-F183 HydrophobicContact CE-CE2 4.04Å; M155-F183 HydrophobicContact CE-CG 3.86Å; M155-F183 PolarHBondContact N-O 2.64Å; M155-F183 PolarHBondContact O-N 3.37Å; Q181-F183 HydrophobicContact CB-CD2 4.45Å; Q181-F183 HydrophobicContact CB-CE2 3.77Å; Q181-F183 HydrophobicContact CB-CZ 4.11Å; Q181-F183 WeakPolarHBondContact O-CD2 3.44Å; F183-F185 HydrophobicContact CB-CD1 4.48Å; F183-F185 HydrophobicContact CB-CE1 3.73Å; F183-F185 HydrophobicContact CB-CZ 4.26Å; F183-S193 WeakPolarHBondContact CA-O 3.27Å; F183-A194 HydrophobicContact CD1-CB 3.91Å; F183-A194 HydrophobicContact CE1-CB 3.69Å; F183-A194 HydrophobicContact CZ-CB 4.28Å
184	L	97.8	Very high	94.6	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.2	171.4	-63.4	-176.7	0	0	0	109.3	C153 V154 V182 S192 S193 V238 P245 L247	C153-L184 WeakPolarHBondContact O-CA 3.5Å; V154-L184 HydrophobicContact CB-CD2 4.34Å; V154-L184 HydrophobicContact CG1-CD2 4.49Å; V154-L184 HydrophobicContact CG2-CD2 3.76Å; V182-L184 HydrophobicContact CG1-CD2 4.35Å; L184-S192 WeakPolarHBondContact O-CA 3.19Å; L184-S193 PolarHBondContact N-O 3.39Å; L184-S193 PolarHBondContact O-N 2.93Å; L184-V238 HydrophobicContact CD1-CG1 3.77Å; L184-V238 HydrophobicContact CD2-CG1 4.07Å; L184-V238 HydrophobicContact CD2-CG2 4.21Å; L184-P245 HydrophobicContact CD1-CB 3.9Å; L184-P245 HydrophobicContact CD1-CG 3.69Å; L184-L247 HydrophobicContact CD1-CD1 3.79Å; L184-L247 HydrophobicContact CD1-CD2 4Å; L184-L247 HydrophobicContact CD1-CG 4.12Å; L184-L247 HydrophobicContact CG-CD2 4.31Å
185	F	95.9	Very high	94.8	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.3	172.6	-40.8	-38.9	0	0	0	110.5	L129 P134 M142 A152 C153 M155 F183 L187 C191 S192	L129-F185 HydrophobicContact CD1-CD1 3.76Å; L129-F185 HydrophobicContact CD1-CD2 4.28Å; L129-F185 HydrophobicContact CD1-CE1 3.85Å; L129-F185 HydrophobicContact CD1-CE2 4.36Å; L129-F185 HydrophobicContact CD1-CG 4Å; L129-F185 HydrophobicContact CD1-CZ 4.16Å; L129-F185 HydrophobicContact CD2-CB 4.31Å; L129-F185 HydrophobicContact CD2-CG 4.45Å; P134-F185 HydrophobicContact CG-CE1 3.95Å; P134-F185 HydrophobicContact CG-CZ 3.87Å; M142-F185 HydrophobicContact SD-CE2 3.99Å; A152-F185 WeakPolarHBondContact CA-O 3.27Å; C153-F185 HydrophobicContact CB-CB 4.17Å; C153-F185 HydrophobicContact CB-CD2 3.87Å; C153-F185 HydrophobicContact CB-CG 4.42Å; C153-F185 PolarHBondContact N-O 2.82Å; C153-F185 PolarHBondContact O-N 3.37Å; M155-F185 HydrophobicContact CB-CE2 3.96Å; M155-F185 HydrophobicContact CB-CZ 3.76Å; M155-F185 HydrophobicContact CE-CZ 4.49Å; M155-F185 HydrophobicContact CG-CZ 4.33Å; M155-F185 HydrophobicContact SD-CZ 3.92Å; F183-F185 HydrophobicContact CB-CD1 4.48Å; F183-F185 HydrophobicContact CB-CE1 3.73Å; F183-F185 HydrophobicContact CB-CZ 4.26Å; F185-L187 HydrophobicContact CB-CD2 4.28Å; F185-C191 CarbonylContact C-O 3.59Å; F185-C191 WeakPolarHBondContact CA-O 3.23Å; F185-S192 WeakPolarHBondContact CD1-OG 3.42Å
186	D	91.8	Very high	94.8	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.5	161	-170.3	-56	0	0	0	108.7	E188 F189 G190 C191	D186-E188 WeakPolarHBondContact OD1-CB 3.38Å; D186-E188 PolarHBondContact OD1-N 3.34Å; D186-F189 WeakPolarHBondContact OD1-CD2 3.47Å; D186-F189 PolarHBondContact OD1-N 2.79Å; D186-G190 CarbonylContact O-C 3.57Å; D186-G190 VanDerWaalsContact O-CA 3.23Å; D186-G190 WeakPolarHBondContact O-CA 3.26Å; D186-G190 PolarHBondContact O-N 3Å; D186-C191 HydrophobicContact CB-CB 4.2Å; D186-C191 PolarHBondContact N-O 2.98Å; D186-C191 PolarHBondContact O-N 2.81Å
187	L	85.3	Confident	94.8	Very high	41 Å²	41	42.6 Å²	42.6	22%	0.215	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-15.1	-173.9	-58.4	176.1	0	0	0	113.5	L80 L91 K127 I144 C153 F185	L80-L187 HydrophobicContact CD2-CD1 4.23Å; L91-L187 HydrophobicContact CD1-CD1 3.85Å; L91-L187 HydrophobicContact CD1-CD2 3.75Å; L91-L187 HydrophobicContact CD1-CG 4.47Å; K127-L187 PolarHBondContact NZ-O 3.34Å; I144-L187 HydrophobicContact CD1-CD1 4.16Å; C153-L187 HydrophobicContact CB-CD1 4.35Å; C153-L187 HydrophobicContact CB-CD2 4.16Å; C153-L187 HydrophobicContact CB-CG 4.42Å; F185-L187 HydrophobicContact CB-CD2 4.28Å
188	E	85.6	Confident	94.7	Very high	159 Å²	159	47.1 Å²	47.1	74%	0.743	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-50.9	176.4	-175.2	-179.4	172.5	0	0	109.7	D186	D186-E188 WeakPolarHBondContact OD1-CB 3.38Å; D186-E188 PolarHBondContact OD1-N 3.34Å
189	F	86.8	Confident	94.7	Very high	135 Å²	135	50.2 Å²	50.2	59%	0.592	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.8	-177.4	-57.9	-71.7	0	0	0	114.4	D186 C191	D186-F189 WeakPolarHBondContact OD1-CD2 3.47Å; D186-F189 PolarHBondContact OD1-N 2.79Å; F189-C191 VanDerWaalsContact C-N 3.29Å; F189-C191 PolarHBondContact O-N 2.84Å
190	G	90.2	Very high	94.6	Very high	13 Å²	13	46.6 Å²	46.6	13%	0.134	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	24.5	-179.3	0	0	0	0	0	114	L129 V130 D186	L129-G190 CarbonylContact C-O 3.56Å; L129-G190 VanDerWaalsContact CA-O 3.29Å; L129-G190 WeakPolarHBondContact CA-O 3.37Å; V130-G190 PolarHBondContact N-O 3.08Å; D186-G190 CarbonylContact O-C 3.57Å; D186-G190 VanDerWaalsContact O-CA 3.23Å; D186-G190 WeakPolarHBondContact O-CA 3.26Å; D186-G190 PolarHBondContact O-N 3Å
191	C	92.6	Very high	94.3	Very high	58 Å²	58	49.6 Å²	49.6	39%	0.392	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.6	-174	-66.1	0	0	0	0	111.7	V130 F185 D186 F189	V130-C191 CarbonylContact O-C 3.48Å; F185-C191 CarbonylContact C-O 3.59Å; F185-C191 WeakPolarHBondContact CA-O 3.23Å; D186-C191 HydrophobicContact CB-CB 4.2Å; D186-C191 PolarHBondContact N-O 2.98Å; D186-C191 PolarHBondContact O-N 2.81Å; F189-C191 VanDerWaalsContact C-N 3.29Å; F189-C191 PolarHBondContact O-N 2.84Å
192	S	96.4	Very high	94	Very high	8 Å²	8	50.1 Å²	50.1	6%	0.056	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137.6	176.1	-172.4	0	0	0	0	111	V130 E132 L184 F185	V130-S192 PolarHBondContact O-N 2.8Å; E132-S192 PolarHBondContact N-O 2.84Å; E132-S192 WeakPolarHBondContact O-CB 3.49Å; E132-S192 PolarHBondContact O-OG 2.83Å; L184-S192 WeakPolarHBondContact O-CA 3.19Å; F185-S192 WeakPolarHBondContact CD1-OG 3.42Å
193	S	96.8	Very high	93.7	Very high	34 Å²	34	50.9 Å²	50.9	24%	0.238	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.5	173.5	57.2	0	0	0	0	110.8	F183 L184 H195	F183-S193 WeakPolarHBondContact CA-O 3.27Å; L184-S193 PolarHBondContact N-O 3.39Å; L184-S193 PolarHBondContact O-N 2.93Å; S193-H195 PolarHBondContact OG-NE2 2.79Å
194	A	97.8	Very high	93.6	Very high	19 Å²	19	50.5 Å²	50.5	16%	0.157	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.9	-175.6	0	0	0	0	0	111.6	E132 F183	E132-A194 HydrophobicContact CB-CB 3.85Å; E132-A194 PolarHBondContact OE2-N 3.05Å; F183-A194 HydrophobicContact CD1-CB 3.91Å; F183-A194 HydrophobicContact CE1-CB 3.69Å; F183-A194 HydrophobicContact CZ-CB 4.28Å
195	H	97.7	Very high	93.6	Very high	42 Å²	42	50.2 Å²	50.2	19%	0.194	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.4	-171.8	-57.7	-91	0	0	0	110.1	Q181 V182 S193 L247	Q181-H195 WeakPolarHBondContact CA-O 3.48Å; V182-H195 HydrophobicContact CB-CB 4.49Å; V182-H195 PolarHBondContact N-O 2.7Å; V182-H195 PolarHBondContact O-N 2.99Å; S193-H195 PolarHBondContact OG-NE2 2.79Å; H195-L247 HydrophobicContact CB-CD2 3.68Å
196	T	97.3	Very high	93.8	Very high	105 Å²	105	52.4 Å²	52.4	64%	0.644	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	128.8	173.1	-54.8	0	0	0	0	108.8
197	L	97.5	Very high	94.1	Very high	19 Å²	19	50.4 Å²	50.4	10%	0.099	29%	0.285	C	S	.	.			trans	-122.8	133.7	-176.4	-61.8	170.8	0	0	0	109.5	V182 E199 L200 L236 L247 C249	V182-L197 HydrophobicContact CG2-CD1 4.02Å; L197-E199 PolarHBondContact O-N 3.13Å; L197-L200 HydrophobicContact CB-CD1 4.18Å; L197-L200 HydrophobicContact CB-CG 4.31Å; L197-L200 HydrophobicContact CD1-CD1 4.12Å; L197-L200 PolarHBondContact O-N 3.21Å; L197-L236 HydrophobicContact CD1-CD1 3.39Å; L197-L247 HydrophobicContact CD1-CB 4.49Å; L197-L247 HydrophobicContact CD1-CD2 4.46Å; L197-L247 HydrophobicContact CD2-CB 4.19Å; L197-C249 HydrophobicContact CD1-CB 4.2Å
198	P	95.6	Very high	94.7	Very high	113 Å²	113	48.9 Å²	48.9	73%	0.734	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-19.9	-170.2	26.7	-33.6	0	0	0	114	L200	P198-L200 VanDerWaalsContact C-N 3.27Å
199	E	96.5	Very high	95.3	Very high	69 Å²	69	42.5 Å²	42.5	32%	0.322	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-20.4	174.3	-56.3	72.7	-156	0	0	112.4	L197 S201 F234 C249	L197-E199 PolarHBondContact O-N 3.13Å; E199-S201 PolarHBondContact O-N 3.18Å; E199-F234 WeakPolarHBondContact O-CE1 3.48Å; E199-C249 HydrophobicContact CB-CB 3.94Å; E199-C249 HydrophobicContact CG-CB 3.95Å; E199-C249 WeakPolarHBondContact OE2-CB 3.41Å
200	L	95.4	Very high	95.7	Very high	5 Å²	5	36.4 Å²	36.4	3%	0.026	23%	0.225	C	C	.	.			trans	-103.3	68.9	-176	-55.3	179.2	0	0	0	109.6	F156 P180 V182 L197 P198 F234	F156-L200 HydrophobicContact CD2-CD1 4.3Å; F156-L200 HydrophobicContact CE1-CD2 4.46Å; F156-L200 HydrophobicContact CE2-CB 4.37Å; F156-L200 HydrophobicContact CE2-CD1 3.75Å; F156-L200 HydrophobicContact CE2-CG 4.46Å; F156-L200 HydrophobicContact CZ-CB 4.32Å; F156-L200 HydrophobicContact CZ-CD1 3.99Å; F156-L200 HydrophobicContact CZ-CD2 4.01Å; F156-L200 HydrophobicContact CZ-CG 4.33Å; P180-L200 HydrophobicContact CB-CB 4.29Å; P180-L200 VanDerWaalsContact CB-O 3.29Å; P180-L200 WeakPolarHBondContact CB-O 3.44Å; P180-L200 WeakPolarHBondContact CG-O 2.93Å; V182-L200 HydrophobicContact CG2-CD1 3.66Å; L197-L200 HydrophobicContact CB-CD1 4.18Å; L197-L200 HydrophobicContact CB-CG 4.31Å; L197-L200 HydrophobicContact CD1-CD1 4.12Å; L197-L200 PolarHBondContact O-N 3.21Å; P198-L200 VanDerWaalsContact C-N 3.27Å; L200-F234 HydrophobicContact CD2-CB 4.32Å; L200-F234 HydrophobicContact CD2-CD1 3.98Å; L200-F234 HydrophobicContact CD2-CD2 3.53Å; L200-F234 HydrophobicContact CD2-CE1 4.09Å; L200-F234 HydrophobicContact CD2-CE2 3.64Å; L200-F234 HydrophobicContact CD2-CG 3.7Å; L200-F234 HydrophobicContact CD2-CZ 3.92Å
201	S	89.1	Confident	95.9	Very high	87 Å²	87	36.7 Å²	36.7	61%	0.608	23%	0.227	S	C	*	.			trans	-70.7	-36.5	-173.6	65.7	0	0	0	0	114.5	E199	E199-S201 PolarHBondContact O-N 3.18Å
202	D	90.5	Very high	96	Very high	71 Å²	71	36 Å²	36	38%	0.38	22%	0.216	S	C	.	.	S	Bend	trans	-121.3	145.6	-169.9	-40.6	-35.5	0	0	0	111.3	P180 R232	P180-D202 WeakPolarHBondContact CB-O 3.45Å; D202-R232 IonicContact OD2-CZ 2.69Å; D202-R232 IonicContact OD2-NH2 3.18Å; D202-R232 PolarHBondContact OD2-NH2 2.94Å
203	G	93.4	Very high	95.8	Very high	16 Å²	16	40.8 Å²	40.8	17%	0.165	24%	0.237	C	C	.	.			trans	-57.5	150	168.6	0	0	0	0	0	112	C178	C178-G203 WeakPolarHBondContact O-CA 3.33Å
204	Q	96.2	Very high	95.8	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	23%	0.232	C	C	.	.			trans	-154.8	148.6	173.2	59.1	175.2	53.8	0	0	113	F156 G157 G158 G220 H222	F156-Q204 HydrophobicContact CE1-CG 3.81Å; F156-Q204 HydrophobicContact CZ-CG 4.15Å; G157-Q204 CarbonylContact C-O 3.55Å; G157-Q204 VanDerWaalsContact CA-O 3.26Å; G157-Q204 WeakPolarHBondContact CA-O 3.41Å; G158-Q204 PolarHBondContact N-O 2.94Å; Q204-G220 PolarHBondContact NE2-O 2.67Å; Q204-G220 VanDerWaalsContact NE2-O 3.12Å; Q204-H222 WeakPolarHBondContact CA-O 3.37Å
205	S	98.2	Very high	95.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-130.8	161.7	-179.6	44.4	0	0	0	0	111.9	G139 R159 D177 H207 G221 H222	G139-S205 CarbonylContact O-C 3.54Å; G139-S205 WeakPolarHBondContact O-CA 3.44Å; R159-S205 PolarHBondContact NE-OG 3.07Å; R159-S205 PolarHBondContact NH2-OG 2.91Å; R159-S205 VanDerWaalsContact NH2-OG 3.15Å; D177-S205 WeakPolarHBondContact OD1-CB 3.46Å; D177-S205 PolarHBondContact OD1-N 2.92Å; D177-S205 PolarHBondContact OD1-OG 2.79Å; S205-H207 PolarHBondContact O-N 2.78Å; S205-H207 VanDerWaalsContact O-N 3.1Å; S205-G221 CarbonylContact O-C 3.01Å; S205-G221 WeakPolarHBondContact O-CA 3.33Å; S205-H222 PolarHBondContact N-O 2.94Å; S205-H222 PolarHBondContact O-N 2.96Å; S205-H222 PolarHBondContact OG-O 2.56Å
206	F	98.4	Very high	95.7	Very high	48 Å²	48	37.4 Å²	37.4	21%	0.211	22%	0.216	C	C	.	.	S	Bend	trans	55.8	27.6	178.3	-49.3	-77.6	0	0	0	114.5	C74 Y138 G139 S259 S260	C74-F206 HydrophobicContact CB-CE1 4.2Å; Y138-F206 HydrophobicContact CD2-CZ 4.14Å; Y138-F206 AromaticContact CE2-CZ 3.86Å; Y138-F206 HydrophobicContact CE2-CZ 3.86Å; G139-F206 PolarHBondContact O-N 2.86Å; F206-S259 WeakPolarHBondContact O-CA 3.49Å; F206-S260 WeakPolarHBondContact CB-OG 3.41Å; F206-S260 PolarHBondContact O-N 2.57Å
207	H	98.3	Very high	95.8	Very high	15 Å²	15	32.7 Å²	32.7	7%	0.069	19%	0.186	C	C	.	.			trans	-77.7	156.1	169.2	58.7	-95.9	0	0	0	110.4	A141 F156 S205 F218 G220	A141-H207 WeakPolarHBondContact CB-NE2 3.47Å; F156-H207 AromaticContact CD1-CE1 3.74Å; F156-H207 AromaticContact CD1-NE2 3.74Å; F156-H207 PolarHBondContact O-CE1 3.35Å; S205-H207 PolarHBondContact O-N 2.78Å; S205-H207 VanDerWaalsContact O-N 3.1Å; H207-F218 AromaticContact CD2-CD1 3.78Å; H207-F218 AromaticContact NE2-CD1 3.75Å; H207-G220 WeakPolarHBondContact CB-O 3.49Å
208	V	98.1	Very high	95.8	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.055	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	142	169.5	163.5	0	0	0	0	109	I210 F218 I219 I258 A261 V263	V208-I210 HydrophobicContact CG1-CD1 3.93Å; V208-I210 HydrophobicContact CG1-CG1 3.67Å; V208-F218 CarbonylContact O-C 3.6Å; V208-F218 WeakPolarHBondContact O-CA 3.14Å; V208-I219 HydrophobicContact CB-CB 4.19Å; V208-I219 HydrophobicContact CB-CG1 4.5Å; V208-I219 HydrophobicContact CG1-CB 4.44Å; V208-I219 HydrophobicContact CG1-CD1 4.17Å; V208-I219 HydrophobicContact CG1-CG1 4.24Å; V208-I219 PolarHBondContact N-O 2.82Å; V208-I219 PolarHBondContact O-N 2.82Å; V208-I258 HydrophobicContact CG2-CD1 4.44Å; V208-A261 HydrophobicContact CG2-CB 4.07Å; V208-V263 HydrophobicContact CB-CG2 4.39Å; V208-V263 HydrophobicContact CG1-CG2 3.82Å; V208-V263 HydrophobicContact CG2-CG2 3.68Å
209	A	97.9	Very high	95.9	Very high	26 Å²	26	26.6 Å²	26.6	22%	0.215	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.1	166.8	0	0	0	0	0	109.8	A141 V216 Y217 F218	A141-A209 HydrophobicContact CB-CB 3.52Å; A209-V216 HydrophobicContact CB-CG1 4.3Å; A209-Y217 WeakPolarHBondContact CA-O 3.38Å; A209-F218 HydrophobicContact CB-CD1 3.79Å; A209-F218 HydrophobicContact CB-CE1 3.92Å
210	I	96.1	Very high	96	Very high	6 Å²	6	23.3 Å²	23.3	3%	0.031	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.1	177.5	-48.9	-178.8	0	0	0	108.2	V208 Y217 I219 V263 Y272 V274 V291 L293	V208-I210 HydrophobicContact CG1-CD1 3.93Å; V208-I210 HydrophobicContact CG1-CG1 3.67Å; I210-Y217 PolarHBondContact N-O 2.88Å; I210-Y217 PolarHBondContact O-N 2.88Å; I210-I219 HydrophobicContact CD1-CD1 4.14Å; I210-V263 HydrophobicContact CD1-CG1 4.3Å; I210-Y272 HydrophobicContact CD1-CD2 4.35Å; I210-Y272 HydrophobicContact CD1-CG 4.18Å; I210-Y272 HydrophobicContact CG2-CD1 4.06Å; I210-Y272 HydrophobicContact CG2-CD2 3.53Å; I210-Y272 HydrophobicContact CG2-CE1 3.81Å; I210-Y272 HydrophobicContact CG2-CE2 3.24Å; I210-Y272 HydrophobicContact CG2-CG 3.93Å; I210-Y272 VanDerWaalsContact CG2-CZ 3.4Å; I210-V274 HydrophobicContact CD1-CG2 4.44Å; I210-V291 HydrophobicContact CD1-CB 4.33Å; I210-V291 HydrophobicContact CD1-CG1 4.07Å; I210-L293 HydrophobicContact CB-CD1 4.32Å; I210-L293 HydrophobicContact CG2-CD1 3.67Å; I210-L293 HydrophobicContact CG2-CG 4.4Å
211	A	94.8	Very high	96.1	Very high	19 Å²	19	23.1 Å²	23.1	16%	0.157	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	151.6	-176.9	0	0	0	0	0	113.7	I144 S215 V216 H270	I144-A211 WeakPolarHBondContact O-CB 3.32Å; A211-S215 VanDerWaalsContact CA-O 3.29Å; A211-S215 WeakPolarHBondContact CA-O 3.34Å; A211-V216 HydrophobicContact CB-CG2 4.05Å; A211-H270 PolarHBondContact O-ND1 3.37Å
212	R	93.4	Very high	96.5	Very high	43 Å²	43	19.2 Å²	19.2	16%	0.162	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	125	171	177.8	177.6	-178.2	-61.4	-29.3	107.7	D214 S215 L293 D294	R212-D214 PolarHBondContact O-N 2.95Å; R212-S215 PolarHBondContact N-O 2.96Å; R212-S215 PolarHBondContact O-N 3.28Å; R212-L293 HydrophobicContact CB-CB 3.96Å; R212-L293 HydrophobicContact CB-CD1 3.72Å; R212-L293 WeakPolarHBondContact CD-O 3.25Å; R212-L293 HydrophobicContact CG-CB 4.39Å; R212-D294 PolarHBondContact NH1-O 3.43Å
213	E	93.2	Very high	96.8	Very high	109 Å²	109	16 Å²	16	51%	0.509	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	-118.7	178.8	-62.3	167.3	170	0	0	112.1	V145 Q146 S215	V145-E213 CarbonylContact C-O 3.56Å; V145-E213 WeakPolarHBondContact CA-O 3.45Å; Q146-E213 PolarHBondContact N-O 3.03Å; Q146-E213 CarbonylContact O-C 3.5Å; E213-S215 VanDerWaalsContact C-N 3.32Å; E213-S215 PolarHBondContact O-N 3.24Å
214	D	95.5	Very high	96.9	Very high	22 Å²	22	17.7 Å²	17.7	12%	0.118	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.3	-177.1	70.1	13.2	0	0	0	114.4	Q146 R212 R237 V238	Q146-D214 PolarHBondContact O-N 2.96Å; R212-D214 PolarHBondContact O-N 2.95Å; D214-R237 WeakPolarHBondContact O-CA 3.44Å; D214-R237 WeakPolarHBondContact OD1-CG 3.35Å; D214-R237 IonicContact OD1-NE 2.66Å; D214-R237 PolarHBondContact OD1-NE 3.04Å; D214-R237 IonicContact OD2-CZ 3.46Å; D214-R237 IonicContact OD2-NE 3.82Å; D214-R237 PolarHBondContact OD2-NE 2.85Å; D214-R237 IonicContact OD2-NH2 3.84Å; D214-R237 PolarHBondContact OD2-NH2 3.18Å; D214-V238 PolarHBondContact O-N 2.92Å
215	S	96.9	Very high	96.7	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	135.6	-166.1	-68.4	0	0	0	0	112.6	A211 R212 E213 R235 L236	A211-S215 VanDerWaalsContact CA-O 3.29Å; A211-S215 WeakPolarHBondContact CA-O 3.34Å; R212-S215 PolarHBondContact N-O 2.96Å; R212-S215 PolarHBondContact O-N 3.28Å; E213-S215 VanDerWaalsContact C-N 3.32Å; E213-S215 PolarHBondContact O-N 3.24Å; S215-R235 PolarHBondContact OG-NE 3.06Å; S215-R235 VanDerWaalsContact OG-NE 3.08Å; S215-R235 PolarHBondContact OG-NH2 2.86Å; S215-L236 CarbonylContact C-O 3.46Å; S215-L236 VanDerWaalsContact CA-O 3.31Å; S215-L236 WeakPolarHBondContact CA-O 3.39Å
216	V	97.9	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.3	171.8	-170.8	0	0	0	0	109.7	V145 V154 A209 A211 F218 R235 L236	V145-V216 HydrophobicContact CG1-CG2 3.35Å; V154-V216 HydrophobicContact CB-CG2 4.1Å; V154-V216 HydrophobicContact CG1-CG2 4.31Å; V154-V216 HydrophobicContact CG2-CG2 3.8Å; A209-V216 HydrophobicContact CB-CG1 4.3Å; A211-V216 HydrophobicContact CB-CG2 4.05Å; V216-F218 HydrophobicContact CB-CZ 4.31Å; V216-F218 HydrophobicContact CG1-CD1 4.24Å; V216-F218 HydrophobicContact CG1-CE1 3.72Å; V216-F218 HydrophobicContact CG1-CE2 4.38Å; V216-F218 HydrophobicContact CG1-CZ 3.8Å; V216-R235 CarbonylContact O-C 3.56Å; V216-R235 WeakPolarHBondContact O-CA 3.05Å; V216-L236 PolarHBondContact N-O 2.97Å; V216-L236 PolarHBondContact O-N 3.06Å
217	Y	98.4	Very high	96.2	Very high	6 Å²	6	29.6 Å²	29.6	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	115.4	176.3	-62.4	-89.2	0	0	0	110	A209 I210 L233 F234 R235 L252 L293 G297 I298	A209-Y217 WeakPolarHBondContact CA-O 3.38Å; I210-Y217 PolarHBondContact N-O 2.88Å; I210-Y217 PolarHBondContact O-N 2.88Å; Y217-L233 HydrophobicContact CD1-CD1 4.49Å; Y217-F234 CarbonylContact C-O 3.56Å; Y217-F234 VanDerWaalsContact CA-O 3.31Å; Y217-F234 WeakPolarHBondContact CA-O 3.38Å; Y217-R235 HydrophobicContact CD1-CB 3.7Å; Y217-R235 HydrophobicContact CD1-CG 3.95Å; Y217-R235 HydrophobicContact CE1-CB 3.55Å; Y217-R235 HydrophobicContact CE1-CG 3.47Å; Y217-R235 VanDerWaalsContact CE1-CG 3.47Å; Y217-R235 HydrophobicContact CE2-CG 4.42Å; Y217-R235 PolarHBondContact OH-NE 3.08Å; Y217-L252 HydrophobicContact CE1-CD1 4.39Å; Y217-L293 HydrophobicContact CD2-CD1 3.77Å; Y217-L293 HydrophobicContact CD2-CD2 3.62Å; Y217-L293 HydrophobicContact CD2-CG 4.34Å; Y217-L293 HydrophobicContact CE2-CD1 4.05Å; Y217-L293 HydrophobicContact CE2-CD2 3.79Å; Y217-L293 HydrophobicContact CE2-CG 4.44Å; Y217-L293 HydrophobicContact CG-CD2 4.17Å; Y217-G297 WeakPolarHBondContact OH-CA 3.44Å; Y217-I298 HydrophobicContact CD1-CB 3.72Å; Y217-I298 HydrophobicContact CD1-CD1 4.13Å; Y217-I298 HydrophobicContact CD1-CG2 3.5Å; Y217-I298 VanDerWaalsContact CD1-CG2 3.5Å; Y217-I298 HydrophobicContact CE1-CB 3.66Å; Y217-I298 HydrophobicContact CE1-CG2 3.44Å; Y217-I298 VanDerWaalsContact CE1-CG2 3.44Å; Y217-I298 HydrophobicContact CG-CB 4.22Å; Y217-I298 HydrophobicContact CG-CD1 4.13Å; Y217-I298 HydrophobicContact CG-CG2 4.43Å
218	F	98.3	Very high	96.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	120.6	173.4	-57.4	-65.3	0	0	0	109.6	V154 F156 H207 V208 A209 V216 L233 F234 L236	V154-F218 HydrophobicContact CG1-CZ 4.06Å; F156-F218 HydrophobicContact CB-CE1 3.76Å; F156-F218 HydrophobicContact CB-CE2 4.18Å; F156-F218 HydrophobicContact CB-CZ 3.56Å; F156-F218 HydrophobicContact CD1-CD1 4.02Å; F156-F218 HydrophobicContact CD1-CD2 4.01Å; F156-F218 HydrophobicContact CD1-CE1 4.08Å; F156-F218 HydrophobicContact CD1-CE2 4.06Å; F156-F218 AromaticContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CG 3.98Å; F156-F218 HydrophobicContact CD1-CZ 4.11Å; F156-F218 HydrophobicContact CE1-CD2 4.49Å; F156-F218 HydrophobicContact CG-CE1 4.35Å; F156-F218 HydrophobicContact CG-CE2 4.24Å; F156-F218 HydrophobicContact CG-CZ 4.1Å; H207-F218 AromaticContact CD2-CD1 3.78Å; H207-F218 AromaticContact NE2-CD1 3.75Å; V208-F218 CarbonylContact O-C 3.6Å; V208-F218 WeakPolarHBondContact O-CA 3.14Å; A209-F218 HydrophobicContact CB-CD1 3.79Å; A209-F218 HydrophobicContact CB-CE1 3.92Å; V216-F218 HydrophobicContact CB-CZ 4.31Å; V216-F218 HydrophobicContact CG1-CD1 4.24Å; V216-F218 HydrophobicContact CG1-CE1 3.72Å; V216-F218 HydrophobicContact CG1-CE2 4.38Å; V216-F218 HydrophobicContact CG1-CZ 3.8Å; F218-L233 WeakPolarHBondContact O-CA 3.05Å; F218-F234 HydrophobicContact CB-CB 4.38Å; F218-F234 HydrophobicContact CB-CD2 4.47Å; F218-F234 HydrophobicContact CD2-CB 4.41Å; F218-F234 PolarHBondContact N-O 2.46Å; F218-F234 PolarHBondContact O-N 3.48Å; F218-L236 HydrophobicContact CE2-CB 3.89Å; F218-L236 HydrophobicContact CE2-CD2 4.24Å
219	I	98.3	Very high	96	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.4	-172.5	-33.7	-176.7	0	0	0	110.3	V208 I210 L233 L256 I258 V291 I298	V208-I219 HydrophobicContact CB-CB 4.19Å; V208-I219 HydrophobicContact CB-CG1 4.5Å; V208-I219 HydrophobicContact CG1-CB 4.44Å; V208-I219 HydrophobicContact CG1-CD1 4.17Å; V208-I219 HydrophobicContact CG1-CG1 4.24Å; V208-I219 PolarHBondContact N-O 2.82Å; V208-I219 PolarHBondContact O-N 2.82Å; I210-I219 HydrophobicContact CD1-CD1 4.14Å; I219-L233 HydrophobicContact CB-CD1 4.47Å; I219-L233 HydrophobicContact CG1-CD1 3.89Å; I219-L233 HydrophobicContact CG2-CD1 4.41Å; I219-L256 HydrophobicContact CG2-CB 4.04Å; I219-L256 HydrophobicContact CG2-CD1 4.26Å; I219-L256 HydrophobicContact CG2-CG 4.21Å; I219-I258 HydrophobicContact CG2-CD1 4.45Å; I219-V291 HydrophobicContact CD1-CG1 4.45Å; I219-I298 HydrophobicContact CD1-CD1 3.89Å
220	G	97.3	Very high	95.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.18	C	C	.	.			trans	61.6	-139.5	-179.2	0	0	0	0	0	113	Q204 H207 R232 L256	Q204-G220 PolarHBondContact NE2-O 2.67Å; Q204-G220 VanDerWaalsContact NE2-O 3.12Å; H207-G220 WeakPolarHBondContact CB-O 3.49Å; G220-R232 PolarHBondContact N-O 2.84Å; G220-L256 VanDerWaalsContact CA-O 3.27Å; G220-L256 WeakPolarHBondContact CA-O 3.49Å
221	G	97.6	Very high	95.8	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.01	20%	0.204	C	C	.	.			trans	118	166.9	-172.3	0	0	0	0	0	112.2	S205 R229 I258	S205-G221 CarbonylContact O-C 3.01Å; S205-G221 WeakPolarHBondContact O-CA 3.33Å; G221-R229 WeakPolarHBondContact O-CA 3.32Å; G221-I258 PolarHBondContact N-O 3.49Å
222	H	98	Very high	95.8	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.028	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-109.7	137.8	166.7	-171.7	-88.9	0	0	0	109.7	R159 Q204 S205 I224 D227 S228 R229	R159-H222 PolarHBondContact NH2-CE1 2.93Å; R159-H222 PolarHBondContact NH2-ND1 3.45Å; Q204-H222 WeakPolarHBondContact CA-O 3.37Å; S205-H222 PolarHBondContact N-O 2.94Å; S205-H222 PolarHBondContact O-N 2.96Å; S205-H222 PolarHBondContact OG-O 2.56Å; H222-I224 WeakPolarHBondContact CE1-CA 3.4Å; H222-I224 PolarHBondContact CE1-N 2.81Å; H222-I224 VanDerWaalsContact NE2-CA 3.28Å; H222-I224 WeakPolarHBondContact NE2-CA 3.27Å; H222-D227 WeakPolarHBondContact NE2-CA 3.28Å; H222-D227 IonicContact NE2-OD1 2.68Å; H222-D227 PolarHBondContact NE2-OD1 2.86Å; H222-S228 WeakPolarHBondContact CA-O 3.35Å; H222-R229 HydrophobicContact CB-CG 4.4Å; H222-R229 VanDerWaalsContact CD2-CZ 3.44Å; H222-R229 PolarHBondContact CD2-NH1 3.38Å
223	S	96.6	Very high	96	Very high	4 Å²	4	34.6 Å²	34.6	3%	0.028	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-106.6	116.1	166.6	161.5	0	0	0	0	108.5	D177 T225 S226 D227 S228	D177-S223 WeakPolarHBondContact OD2-CA 3.44Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-S226 VanDerWaalsContact CB-OG 3.25Å; S223-S226 WeakPolarHBondContact CB-OG 3.37Å; S223-S226 PolarHBondContact OG-N 3.07Å; S223-S226 PolarHBondContact OG-OG 3.16Å; S223-D227 WeakPolarHBondContact O-CA 3.47Å; S223-D227 PolarHBondContact O-N 3.18Å; S223-S228 PolarHBondContact N-O 3.48Å; S223-S228 PolarHBondContact O-N 3.34Å; S223-S228 VanDerWaalsContact O-N 3.16Å
224	I	95	Very high	96.3	Very high	51 Å²	51	30 Å²	30	26%	0.262	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-28.3	-179.8	-155.6	179.3	0	0	0	112.2	V175 D177 H222 S226	V175-I224 HydrophobicContact CG2-CD1 3.92Å; D177-I224 HydrophobicContact CB-CG2 4.3Å; D177-I224 WeakPolarHBondContact OD2-CB 3.35Å; D177-I224 VanDerWaalsContact OD2-CG2 3.3Å; D177-I224 WeakPolarHBondContact OD2-CG2 3.29Å; D177-I224 PolarHBondContact OD2-N 2.81Å; H222-I224 WeakPolarHBondContact CE1-CA 3.4Å; H222-I224 PolarHBondContact CE1-N 2.81Å; H222-I224 VanDerWaalsContact NE2-CA 3.28Å; H222-I224 WeakPolarHBondContact NE2-CA 3.27Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.19Å
225	T	91.8	Very high	96.4	Very high	129 Å²	129	31.5 Å²	31.5	79%	0.791	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-25.6	179.5	-53.8	0	0	0	0	112.6	S223	S223-T225 VanDerWaalsContact C-N 3.33Å
226	S	92.9	Very high	96.5	Very high	64 Å²	64	31.4 Å²	31.4	45%	0.448	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	8.5	-179.6	60.4	0	0	0	0	113.6	S223 I224 S228	S223-S226 VanDerWaalsContact CB-OG 3.25Å; S223-S226 WeakPolarHBondContact CB-OG 3.37Å; S223-S226 PolarHBondContact OG-N 3.07Å; S223-S226 PolarHBondContact OG-OG 3.16Å; I224-S226 VanDerWaalsContact C-N 3.28Å; I224-S226 PolarHBondContact O-N 3.19Å; S226-S228 VanDerWaalsContact C-N 3.29Å; S226-S228 WeakPolarHBondContact O-CB 3.31Å; S226-S228 PolarHBondContact O-N 3.21Å; S226-S228 PolarHBondContact O-OG 2.91Å; S226-S228 PolarHBondContact OG-OG 3.19Å
227	D	94.3	Very high	96.5	Very high	106 Å²	106	35.4 Å²	35.4	57%	0.567	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	32.5	55.9	-170.3	-162.9	40.7	0	0	0	114.4	H222 S223	H222-D227 WeakPolarHBondContact NE2-CA 3.28Å; H222-D227 IonicContact NE2-OD1 2.68Å; H222-D227 PolarHBondContact NE2-OD1 2.86Å; S223-D227 WeakPolarHBondContact O-CA 3.47Å; S223-D227 PolarHBondContact O-N 3.18Å
228	S	95	Very high	96.4	Very high	42 Å²	42	35.1 Å²	35.1	29%	0.294	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-147.9	156.1	-169.1	67.8	0	0	0	0	114.5	H222 S223 S226 P230	H222-S228 WeakPolarHBondContact CA-O 3.35Å; S223-S228 PolarHBondContact N-O 3.48Å; S223-S228 PolarHBondContact O-N 3.34Å; S223-S228 VanDerWaalsContact O-N 3.16Å; S226-S228 VanDerWaalsContact C-N 3.29Å; S226-S228 WeakPolarHBondContact O-CB 3.31Å; S226-S228 PolarHBondContact O-N 3.21Å; S226-S228 PolarHBondContact O-OG 2.91Å; S226-S228 PolarHBondContact OG-OG 3.19Å; S228-P230 VanDerWaalsContact O-CD 3.22Å; S228-P230 WeakPolarHBondContact O-CD 3.32Å
229	R	96.6	Very high	96.4	Very high	28 Å²	28	36.7 Å²	36.7	11%	0.106	20%	0.199	C	C	.	.			trans	-114.7	68.7	177.8	-63.6	173.9	-176.1	71.2	-1.9	109.9	G221 H222 S257 S259 Y278 Q279 D281	G221-R229 WeakPolarHBondContact O-CA 3.32Å; H222-R229 HydrophobicContact CB-CG 4.4Å; H222-R229 VanDerWaalsContact CD2-CZ 3.44Å; H222-R229 PolarHBondContact CD2-NH1 3.38Å; R229-S257 WeakPolarHBondContact O-CB 3.42Å; R229-S257 PolarHBondContact O-OG 2.89Å; R229-S259 PolarHBondContact NE-OG 2.74Å; R229-Y278 VanDerWaalsContact CD-O 3.26Å; R229-Y278 WeakPolarHBondContact CD-O 3.26Å; R229-Q279 WeakPolarHBondContact CD-O 3.41Å; R229-D281 IonicContact CZ-OD1 2.69Å; R229-D281 IonicContact NH1-OD1 2.65Å; R229-D281 PolarHBondContact NH1-OD1 2.81Å; R229-D281 IonicContact NH2-OD1 2.68Å; R229-D281 PolarHBondContact NH2-OD1 2.86Å; R229-D281 IonicContact NH2-OD2 3.15Å
230	P	94.2	Very high	96.2	Very high	33 Å²	33	37.6 Å²	37.6	21%	0.214	20%	0.203	C	C	.	.			trans	-58.3	145.2	179.6	26.7	-35.1	0	0	0	110.2	S228 R232	S228-P230 VanDerWaalsContact O-CD 3.22Å; S228-P230 WeakPolarHBondContact O-CD 3.32Å; P230-R232 HydrophobicContact CB-CG 4.09Å; P230-R232 HydrophobicContact CG-CG 3.93Å; P230-R232 PolarHBondContact O-N 2.82Å
231	P	95.9	Very high	95.9	Very high	81 Å²	81	40.2 Å²	40.2	53%	0.526	22%	0.217	S	C	.	.			trans	-75.5	54.6	-178.5	32.8	-36.8	0	0	0	112	G255	P231-G255 CarbonylContact O-C 3.56Å; P231-G255 VanDerWaalsContact O-CA 3.26Å; P231-G255 WeakPolarHBondContact O-CA 3.4Å
232	R	95.1	Very high	95.3	Very high	38 Å²	38	49.4 Å²	49.4	14%	0.143	26%	0.26	C	S	.	.			trans	-67.9	138.7	-178.2	-70.2	172.5	177.6	173.6	1.6	110.2	D202 G220 P230 F234	D202-R232 IonicContact OD2-CZ 2.69Å; D202-R232 IonicContact OD2-NH2 3.18Å; D202-R232 PolarHBondContact OD2-NH2 2.94Å; G220-R232 PolarHBondContact N-O 2.84Å; P230-R232 HydrophobicContact CB-CG 4.09Å; P230-R232 HydrophobicContact CG-CG 3.93Å; P230-R232 PolarHBondContact O-N 2.82Å; R232-F234 HydrophobicContact CB-CD2 4.47Å; R232-F234 HydrophobicContact CB-CE2 4.04Å; R232-F234 HydrophobicContact CB-CZ 4.33Å; R232-F234 HydrophobicContact CG-CE2 4.14Å; R232-F234 HydrophobicContact CG-CZ 4.09Å
233	L	98.1	Very high	94.7	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	112.3	160.7	172.5	61.2	0	0	0	107.2	Y217 F218 I219 L252 F254 G255 I298 I300	Y217-L233 HydrophobicContact CD1-CD1 4.49Å; F218-L233 WeakPolarHBondContact O-CA 3.05Å; I219-L233 HydrophobicContact CB-CD1 4.47Å; I219-L233 HydrophobicContact CG1-CD1 3.89Å; I219-L233 HydrophobicContact CG2-CD1 4.41Å; L233-L252 HydrophobicContact CB-CB 4.28Å; L233-L252 HydrophobicContact CD2-CB 3.81Å; L233-L252 HydrophobicContact CD2-CD1 4Å; L233-L252 HydrophobicContact CG-CB 3.88Å; L233-L252 HydrophobicContact CG-CD1 4.07Å; L233-L252 HydrophobicContact CG-CG 4.43Å; L233-L252 PolarHBondContact O-N 3.07Å; L233-F254 HydrophobicContact CD2-CD2 3.87Å; L233-F254 HydrophobicContact CD2-CE2 3.65Å; L233-F254 HydrophobicContact CD2-CG 4.46Å; L233-F254 HydrophobicContact CD2-CZ 4.07Å; L233-G255 VanDerWaalsContact CB-CA 3.49Å; L233-I298 HydrophobicContact CD1-CD1 3.92Å; L233-I298 HydrophobicContact CD2-CD1 4.43Å; L233-I298 HydrophobicContact CD2-CG2 3.93Å; L233-I300 HydrophobicContact CD2-CD1 4.1Å
234	F	98	Very high	94.3	Very high	13 Å²	13	56.8 Å²	56.8	6%	0.057	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	137.8	174.5	-57.2	-62.9	0	0	0	108.8	E199 L200 Y217 F218 R232 E250 T251	E199-F234 WeakPolarHBondContact O-CE1 3.48Å; L200-F234 HydrophobicContact CD2-CB 4.32Å; L200-F234 HydrophobicContact CD2-CD1 3.98Å; L200-F234 HydrophobicContact CD2-CD2 3.53Å; L200-F234 HydrophobicContact CD2-CE1 4.09Å; L200-F234 HydrophobicContact CD2-CE2 3.64Å; L200-F234 HydrophobicContact CD2-CG 3.7Å; L200-F234 HydrophobicContact CD2-CZ 3.92Å; Y217-F234 CarbonylContact C-O 3.56Å; Y217-F234 VanDerWaalsContact CA-O 3.31Å; Y217-F234 WeakPolarHBondContact CA-O 3.38Å; F218-F234 HydrophobicContact CB-CB 4.38Å; F218-F234 HydrophobicContact CB-CD2 4.47Å; F218-F234 HydrophobicContact CD2-CB 4.41Å; F218-F234 PolarHBondContact N-O 2.46Å; F218-F234 PolarHBondContact O-N 3.48Å; R232-F234 HydrophobicContact CB-CD2 4.47Å; R232-F234 HydrophobicContact CB-CE2 4.04Å; R232-F234 HydrophobicContact CB-CZ 4.33Å; R232-F234 HydrophobicContact CG-CE2 4.14Å; R232-F234 HydrophobicContact CG-CZ 4.09Å; F234-E250 CarbonylContact C-O 3.51Å; F234-E250 WeakPolarHBondContact CA-O 3.27Å; F234-T251 HydrophobicContact CD1-CG2 4.28Å; F234-T251 HydrophobicContact CE1-CG2 4.16Å
235	R	98.2	Very high	94.2	Very high	53 Å²	53	56.1 Å²	56.1	20%	0.2	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.1	161.2	177.7	-156	-172.3	171.2	3.4	108.4	S215 V216 Y217 C249 E250 L252	S215-R235 PolarHBondContact OG-NE 3.06Å; S215-R235 VanDerWaalsContact OG-NE 3.08Å; S215-R235 PolarHBondContact OG-NH2 2.86Å; V216-R235 CarbonylContact O-C 3.56Å; V216-R235 WeakPolarHBondContact O-CA 3.05Å; Y217-R235 HydrophobicContact CD1-CB 3.7Å; Y217-R235 HydrophobicContact CD1-CG 3.95Å; Y217-R235 HydrophobicContact CE1-CB 3.55Å; Y217-R235 HydrophobicContact CE1-CG 3.47Å; Y217-R235 VanDerWaalsContact CE1-CG 3.47Å; Y217-R235 HydrophobicContact CE2-CG 4.42Å; Y217-R235 PolarHBondContact OH-NE 3.08Å; R235-C249 CarbonylContact O-C 3.55Å; R235-C249 WeakPolarHBondContact O-CA 3.43Å; R235-E250 HydrophobicContact CB-CG 3.77Å; R235-E250 WeakPolarHBondContact CD-OE1 3.25Å; R235-E250 HydrophobicContact CG-CG 4.45Å; R235-E250 IonicContact CZ-OE1 2.64Å; R235-E250 PolarHBondContact N-O 2.88Å; R235-E250 IonicContact NE-OE1 2.87Å; R235-E250 IonicContact NH1-OE1 2.76Å; R235-E250 PolarHBondContact NH1-OE1 3.05Å; R235-E250 PolarHBondContact O-N 3.17Å; R235-L252 HydrophobicContact CB-CD1 4.48Å
236	L	98.4	Very high	94.5	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.8	162.4	177.1	72.6	0	0	0	109	V154 V182 L197 S215 V216 F218 V238 L247	V154-L236 HydrophobicContact CG1-CD2 3.54Å; V154-L236 HydrophobicContact CG2-CD2 4.43Å; V182-L236 HydrophobicContact CG1-CD2 3.65Å; V182-L236 HydrophobicContact CG2-CD2 4.21Å; L197-L236 HydrophobicContact CD1-CD1 3.39Å; S215-L236 CarbonylContact C-O 3.46Å; S215-L236 VanDerWaalsContact CA-O 3.31Å; S215-L236 WeakPolarHBondContact CA-O 3.39Å; V216-L236 PolarHBondContact N-O 2.97Å; V216-L236 PolarHBondContact O-N 3.06Å; F218-L236 HydrophobicContact CE2-CB 3.89Å; F218-L236 HydrophobicContact CE2-CD2 4.24Å; L236-V238 HydrophobicContact CD2-CG2 3.76Å; L236-V238 HydrophobicContact CG-CG2 3.86Å; L236-L247 HydrophobicContact CD1-CB 4.35Å; L236-L247 HydrophobicContact CD1-CD2 4.28Å
237	R	97.9	Very high	94.7	Very high	84 Å²	84	52.7 Å²	52.7	32%	0.317	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.2	168.4	-168.1	174.4	-174.9	-121.6	-9.9	110	D214 E239 L247 S248	D214-R237 WeakPolarHBondContact O-CA 3.44Å; D214-R237 WeakPolarHBondContact OD1-CG 3.35Å; D214-R237 IonicContact OD1-NE 2.66Å; D214-R237 PolarHBondContact OD1-NE 3.04Å; D214-R237 IonicContact OD2-CZ 3.46Å; D214-R237 IonicContact OD2-NE 3.82Å; D214-R237 PolarHBondContact OD2-NE 2.85Å; D214-R237 IonicContact OD2-NH2 3.84Å; D214-R237 PolarHBondContact OD2-NH2 3.18Å; R237-E239 IonicContact CZ-OE1 3.2Å; R237-E239 IonicContact NH1-OE1 2.67Å; R237-E239 PolarHBondContact NH1-OE1 2.96Å; R237-E239 IonicContact NH2-OE1 2.89Å; R237-L247 WeakPolarHBondContact O-CA 3.48Å; R237-S248 PolarHBondContact N-O 2.85Å; R237-S248 PolarHBondContact O-N 2.83Å; R237-S248 VanDerWaalsContact O-N 3.07Å
238	V	97.9	Very high	94.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	106.5	-173.9	-174.9	0	0	0	0	110.5	V145 S147 V154 L184 D214 L236 L240 L247	V145-V238 HydrophobicContact CG2-CB 4.11Å; V145-V238 HydrophobicContact CG2-CG1 4.22Å; S147-V238 WeakPolarHBondContact CB-O 3.48Å; S147-V238 PolarHBondContact OG-O 3.09Å; V154-V238 HydrophobicContact CG2-CG2 4.14Å; L184-V238 HydrophobicContact CD1-CG1 3.77Å; L184-V238 HydrophobicContact CD2-CG1 4.07Å; L184-V238 HydrophobicContact CD2-CG2 4.21Å; D214-V238 PolarHBondContact O-N 2.92Å; L236-V238 HydrophobicContact CD2-CG2 3.76Å; L236-V238 HydrophobicContact CG-CG2 3.86Å; V238-L240 HydrophobicContact CG1-CD2 3.84Å; V238-L240 HydrophobicContact CG1-CG 4.38Å; V238-L247 HydrophobicContact CG2-CG 4.49Å
239	E	96.9	Very high	95	Very high	36 Å²	36	49.3 Å²	49.3	17%	0.168	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	112.6	174.3	-67.1	-159.3	-139.1	0	0	111.4	S147 R148 R237 L241 P245 L246	S147-E239 WeakPolarHBondContact OG-CA 3.38Å; R148-E239 IonicContact CZ-OE2 2.64Å; R148-E239 IonicContact NE-OE2 3.9Å; R148-E239 PolarHBondContact NE-OE2 2.92Å; R148-E239 IonicContact NH2-OE2 3.57Å; R148-E239 PolarHBondContact NH2-OE2 2.87Å; R237-E239 IonicContact CZ-OE1 3.2Å; R237-E239 IonicContact NH1-OE1 2.67Å; R237-E239 PolarHBondContact NH1-OE1 2.96Å; R237-E239 IonicContact NH2-OE1 2.89Å; E239-L241 HydrophobicContact CB-CD2 4.19Å; E239-L241 PolarHBondContact O-N 2.96Å; E239-P245 WeakPolarHBondContact O-CA 3.18Å; E239-L246 HydrophobicContact CB-CB 4.27Å; E239-L246 PolarHBondContact N-O 3.16Å; E239-L246 PolarHBondContact O-N 3.28Å
240	L	94.6	Very high	95.1	Very high	20 Å²	20	52 Å²	52	11%	0.105	29%	0.292	C	S	.	.			trans	-85.2	75.5	-176.1	-60.6	175.2	0	0	0	111.1	S147 K150 A152 V238 P245	S147-L240 PolarHBondContact OG-N 2.85Å; K150-L240 HydrophobicContact CB-CB 3.98Å; K150-L240 HydrophobicContact CB-CD1 3.76Å; K150-L240 HydrophobicContact CD-CB 4Å; A152-L240 HydrophobicContact CB-CD1 3.82Å; A152-L240 HydrophobicContact CB-CD2 3.9Å; V238-L240 HydrophobicContact CG1-CD2 3.84Å; V238-L240 HydrophobicContact CG1-CG 4.38Å; L240-P245 HydrophobicContact CD2-CB 4.25Å
241	L	91.4	Very high	95.2	Very high	54 Å²	54	54 Å²	54	28%	0.283	30%	0.304	S	S	.	.			trans	-68	-178.3	-179.1	-52	-177.3	0	0	0	112.9	K150 E239 L246	K150-L241 PolarHBondContact NZ-O 2.97Å; E239-L241 HydrophobicContact CB-CD2 4.19Å; E239-L241 PolarHBondContact O-N 2.96Å; L241-L246 HydrophobicContact CD1-CB 3.99Å; L241-L246 HydrophobicContact CG-CB 4.48Å
242	Q	85	Confident	95.3	Very high	195 Å²	195	51.8 Å²	51.8	91%	0.911	29%	0.287	S	S	*	.	S	Bend	trans	-90.8	115	166.2	-173.7	175.2	8.4	0	0	108.7
243	G	85	Confident	95.2	Very high	73 Å²	73	57.9 Å²	57.9	75%	0.753	32%	0.323	S	S	*	.	S	Bend	trans	105.7	-135.2	-165.2	0	0	0	0	0	110.3
244	S	87.7	Confident	95.1	Very high	92 Å²	92	63 Å²	63	64%	0.643	35%	0.345	S	S	*	.	S	Bend	trans	-71.1	141.4	176.9	52.4	0	0	0	0	112.4
245	P	94.3	Very high	95	Very high	37 Å²	37	63 Å²	63	24%	0.24	35%	0.349	C	S	.	.			trans	-65.1	153.9	166.1	30.8	-34.7	0	0	0	110.6	L184 E239 L240 L247	L184-P245 HydrophobicContact CD1-CB 3.9Å; L184-P245 HydrophobicContact CD1-CG 3.69Å; E239-P245 WeakPolarHBondContact O-CA 3.18Å; L240-P245 HydrophobicContact CD2-CB 4.25Å; P245-L247 HydrophobicContact CB-CD1 4.06Å; P245-L247 HydrophobicContact CG-CD1 4.01Å
246	L	96.7	Very high	94.8	Very high	97 Å²	97	61.7 Å²	61.7	51%	0.508	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.7	169.4	171.9	65.3	0	0	0	108.6	E239 L241	E239-L246 HydrophobicContact CB-CB 4.27Å; E239-L246 PolarHBondContact N-O 3.16Å; E239-L246 PolarHBondContact O-N 3.28Å; L241-L246 HydrophobicContact CD1-CB 3.99Å; L241-L246 HydrophobicContact CG-CB 4.48Å
247	L	97.9	Very high	94.7	Very high	23 Å²	23	64 Å²	64	12%	0.12	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.3	178.2	-64.5	78.4	0	0	0	109.6	V182 L184 H195 L197 L236 R237 V238 P245	V182-L247 HydrophobicContact CG1-CD2 4.07Å; L184-L247 HydrophobicContact CD1-CD1 3.79Å; L184-L247 HydrophobicContact CD1-CD2 4Å; L184-L247 HydrophobicContact CD1-CG 4.12Å; L184-L247 HydrophobicContact CG-CD2 4.31Å; H195-L247 HydrophobicContact CB-CD2 3.68Å; L197-L247 HydrophobicContact CD1-CB 4.49Å; L197-L247 HydrophobicContact CD1-CD2 4.46Å; L197-L247 HydrophobicContact CD2-CB 4.19Å; L236-L247 HydrophobicContact CD1-CB 4.35Å; L236-L247 HydrophobicContact CD1-CD2 4.28Å; R237-L247 WeakPolarHBondContact O-CA 3.48Å; V238-L247 HydrophobicContact CG2-CG 4.49Å; P245-L247 HydrophobicContact CB-CD1 4.06Å; P245-L247 HydrophobicContact CG-CD1 4.01Å
248	S	97.6	Very high	94.7	Very high	64 Å²	64	60.1 Å²	60.1	45%	0.448	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	136.3	168.9	59.5	0	0	0	0	109.6	R237	R237-S248 PolarHBondContact N-O 2.85Å; R237-S248 PolarHBondContact O-N 2.83Å; R237-S248 VanDerWaalsContact O-N 3.07Å
249	C	98.2	Very high	94.7	Very high	14 Å²	14	60.3 Å²	60.3	10%	0.095	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	143.2	173.2	-161.6	0	0	0	0	109.9	L197 E199 R235	L197-C249 HydrophobicContact CD1-CB 4.2Å; E199-C249 HydrophobicContact CB-CB 3.94Å; E199-C249 HydrophobicContact CG-CB 3.95Å; E199-C249 WeakPolarHBondContact OE2-CB 3.41Å; R235-C249 CarbonylContact O-C 3.55Å; R235-C249 WeakPolarHBondContact O-CA 3.43Å
250	E	97.2	Very high	94.7	Very high	83 Å²	83	61 Å²	61	39%	0.388	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.4	166.4	61.5	-176	-171.3	0	0	110.2	F234 R235 L252	F234-E250 CarbonylContact C-O 3.51Å; F234-E250 WeakPolarHBondContact CA-O 3.27Å; R235-E250 HydrophobicContact CB-CG 3.77Å; R235-E250 WeakPolarHBondContact CD-OE1 3.25Å; R235-E250 HydrophobicContact CG-CG 4.45Å; R235-E250 IonicContact CZ-OE1 2.64Å; R235-E250 PolarHBondContact N-O 2.88Å; R235-E250 IonicContact NE-OE1 2.87Å; R235-E250 IonicContact NH1-OE1 2.76Å; R235-E250 PolarHBondContact NH1-OE1 3.05Å; R235-E250 PolarHBondContact O-N 3.17Å; E250-L252 HydrophobicContact CG-CD2 4.24Å
251	T	97.4	Very high	94.9	Very high	76 Å²	76	60.7 Å²	60.7	47%	0.466	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.3	172.4	-54.9	0	0	0	0	109	F234	F234-T251 HydrophobicContact CD1-CG2 4.28Å; F234-T251 HydrophobicContact CE1-CG2 4.16Å
252	L	97.1	Very high	95.1	Very high	35 Å²	35	59.2 Å²	59.2	18%	0.183	35%	0.351	C	S	.	.			trans	-120.5	126.7	-178	-56.3	177.3	0	0	0	109.9	Y217 L233 R235 E250 F254 I298	Y217-L252 HydrophobicContact CE1-CD1 4.39Å; L233-L252 HydrophobicContact CB-CB 4.28Å; L233-L252 HydrophobicContact CD2-CB 3.81Å; L233-L252 HydrophobicContact CD2-CD1 4Å; L233-L252 HydrophobicContact CG-CB 3.88Å; L233-L252 HydrophobicContact CG-CD1 4.07Å; L233-L252 HydrophobicContact CG-CG 4.43Å; L233-L252 PolarHBondContact O-N 3.07Å; R235-L252 HydrophobicContact CB-CD1 4.48Å; E250-L252 HydrophobicContact CG-CD2 4.24Å; L252-F254 HydrophobicContact CB-CD1 4.27Å; L252-F254 HydrophobicContact CB-CE1 3.86Å; L252-F254 HydrophobicContact CB-CZ 4.28Å; L252-F254 HydrophobicContact CD1-CE1 4.46Å; L252-F254 HydrophobicContact CD1-CZ 4.2Å; L252-F254 PolarHBondContact O-N 3.01Å; L252-I298 HydrophobicContact CD1-CG2 3.71Å
253	D	94.5	Very high	95.7	Very high	166 Å²	166	52 Å²	52	89%	0.888	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	5.7	-165.3	-57.8	-44.7	0	0	0	115.7
254	F	95.4	Very high	96.1	Very high	107 Å²	107	48.6 Å²	48.6	47%	0.469	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.3	31.1	-174.1	59.2	-88.4	0	0	0	113.4	L233 L252 I298 I300	L233-F254 HydrophobicContact CD2-CD2 3.87Å; L233-F254 HydrophobicContact CD2-CE2 3.65Å; L233-F254 HydrophobicContact CD2-CG 4.46Å; L233-F254 HydrophobicContact CD2-CZ 4.07Å; L252-F254 HydrophobicContact CB-CD1 4.27Å; L252-F254 HydrophobicContact CB-CE1 3.86Å; L252-F254 HydrophobicContact CB-CZ 4.28Å; L252-F254 HydrophobicContact CD1-CE1 4.46Å; L252-F254 HydrophobicContact CD1-CZ 4.2Å; L252-F254 PolarHBondContact O-N 3.01Å; F254-I298 HydrophobicContact CE2-CG2 4.11Å; F254-I298 HydrophobicContact CZ-CG2 4.07Å; F254-I300 HydrophobicContact CD2-CD1 4.49Å
255	G	94.9	Very high	96.3	Very high	15 Å²	15	47 Å²	47	16%	0.155	27%	0.265	C	S	.	.			trans	-71.6	175.3	177.3	0	0	0	0	0	115.1	P231 L233	P231-G255 CarbonylContact O-C 3.56Å; P231-G255 VanDerWaalsContact O-CA 3.26Å; P231-G255 WeakPolarHBondContact O-CA 3.4Å; L233-G255 VanDerWaalsContact CB-CA 3.49Å
256	L	95.8	Very high	95.9	Very high	24 Å²	24	46.3 Å²	46.3	13%	0.126	26%	0.259	C	S	.	.			trans	-111.7	131	-175.1	-61.7	177	0	0	0	111.2	I219 G220 I258 N289 I300	I219-L256 HydrophobicContact CG2-CB 4.04Å; I219-L256 HydrophobicContact CG2-CD1 4.26Å; I219-L256 HydrophobicContact CG2-CG 4.21Å; G220-L256 VanDerWaalsContact CA-O 3.27Å; G220-L256 WeakPolarHBondContact CA-O 3.49Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 3.87Å; L256-I258 HydrophobicContact CB-CG1 3.91Å; L256-I258 HydrophobicContact CB-CG2 4.15Å; L256-I258 HydrophobicContact CD1-CD1 4.03Å; L256-I258 PolarHBondContact O-N 3.02Å; L256-N289 WeakPolarHBondContact CD1-OD1 3.36Å; L256-I300 HydrophobicContact CD1-CD1 4.49Å; L256-I300 HydrophobicContact CD1-CG2 4.09Å; L256-I300 HydrophobicContact CD2-CG2 4.24Å; L256-I300 HydrophobicContact CG-CD1 4.35Å; L256-I300 HydrophobicContact CG-CG2 4.38Å
257	S	96.1	Very high	95.1	Very high	49 Å²	49	42.6 Å²	42.6	34%	0.343	25%	0.245	S	C	.	.			trans	-77.5	83.8	171.2	-177.4	0	0	0	0	109.7	R229	R229-S257 WeakPolarHBondContact O-CB 3.42Å; R229-S257 PolarHBondContact O-OG 2.89Å
258	I	97.2	Very high	94	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	28%	0.277	C	S	.	.			trans	-142.1	146.6	-175	58.5	178.3	0	0	0	112.1	V208 I219 G221 L256 A261 V274 Y278	V208-I258 HydrophobicContact CG2-CD1 4.44Å; I219-I258 HydrophobicContact CG2-CD1 4.45Å; G221-I258 PolarHBondContact N-O 3.49Å; L256-I258 VanDerWaalsContact C-N 3.34Å; L256-I258 HydrophobicContact CB-CD1 3.87Å; L256-I258 HydrophobicContact CB-CG1 3.91Å; L256-I258 HydrophobicContact CB-CG2 4.15Å; L256-I258 HydrophobicContact CD1-CD1 4.03Å; L256-I258 PolarHBondContact O-N 3.02Å; I258-A261 HydrophobicContact CD1-CB 4.04Å; I258-V274 HydrophobicContact CD1-CG1 3.88Å; I258-Y278 WeakPolarHBondContact CA-O 3.35Å
259	S	98.1	Very high	93.1	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.028	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-132.7	153.7	158.7	79.3	0	0	0	0	111.4	F206 R229 A261 G277 Y278	F206-S259 WeakPolarHBondContact O-CA 3.49Å; R229-S259 PolarHBondContact NE-OG 2.74Å; S259-A261 PolarHBondContact O-N 2.91Å; S259-G277 CarbonylContact O-C 3.52Å; S259-G277 VanDerWaalsContact O-CA 3.28Å; S259-G277 WeakPolarHBondContact O-CA 3.43Å; S259-Y278 PolarHBondContact N-O 2.92Å; S259-Y278 PolarHBondContact O-N 2.79Å
260	S	97.6	Very high	92.8	Very high	50 Å²	50	48.2 Å²	48.2	35%	0.35	28%	0.283	S	S	.	.	S	Bend	trans	56.2	30.3	175.3	-43.7	0	0	0	0	114.3	F206	F206-S260 WeakPolarHBondContact CB-OG 3.41Å; F206-S260 PolarHBondContact O-N 2.57Å
261	A	97.5	Very high	92.6	Very high	15 Å²	15	48.6 Å²	48.6	12%	0.124	28%	0.283	C	S	.	.			trans	-70.8	148.2	177.9	0	0	0	0	0	111.5	V208 I258 S259 V274 G276	V208-A261 HydrophobicContact CG2-CB 4.07Å; I258-A261 HydrophobicContact CD1-CB 4.04Å; S259-A261 PolarHBondContact O-N 2.91Å; A261-V274 HydrophobicContact CB-CG1 3.76Å; A261-G276 WeakPolarHBondContact CB-O 3.44Å
262	L	96.9	Very high	92.5	Very high	23 Å²	23	46.1 Å²	46.1	12%	0.12	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.5	-180	-53.6	-176.7	0	0	0	109.4	L275 G320 I328 L330	L262-L275 HydrophobicContact CB-CB 4.33Å; L262-L275 PolarHBondContact N-O 2.83Å; L262-L275 PolarHBondContact O-N 3.38Å; L262-G320 WeakPolarHBondContact CD2-O 3.48Å; L262-I328 HydrophobicContact CB-CD1 4.02Å; L262-I328 HydrophobicContact CB-CG2 4.3Å; L262-I328 HydrophobicContact CD1-CG2 3.69Å; L262-L330 HydrophobicContact CD1-CD1 3.77Å
263	V	95.8	Very high	92.5	Very high	43 Å²	43	44.9 Å²	44.9	26%	0.261	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132.2	-176.2	-171.3	0	0	0	0	110.3	V208 I210 Y272 I273 V274 S322	V208-V263 HydrophobicContact CB-CG2 4.39Å; V208-V263 HydrophobicContact CG1-CG2 3.82Å; V208-V263 HydrophobicContact CG2-CG2 3.68Å; I210-V263 HydrophobicContact CD1-CG1 4.3Å; V263-Y272 HydrophobicContact CG1-CD1 4.46Å; V263-I273 WeakPolarHBondContact CA-O 3.25Å; V263-V274 HydrophobicContact CG2-CG2 4.32Å; V263-S322 WeakPolarHBondContact O-CB 3.38Å
264	T	94.5	Very high	92.6	Very high	2 Å²	2	37 Å²	37	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.6	171.3	-167.4	0	0	0	0	110.9	Y272 I273 S322 C327 I328 F351	T264-Y272 CarbonylContact O-C 3.59Å; T264-Y272 VanDerWaalsContact O-CA 3.25Å; T264-Y272 WeakPolarHBondContact O-CA 3.22Å; T264-I273 HydrophobicContact CG2-CB 4.16Å; T264-I273 PolarHBondContact N-O 3.11Å; T264-I273 VanDerWaalsContact N-O 3.08Å; T264-I273 PolarHBondContact O-N 3.04Å; T264-S322 PolarHBondContact OG1-OG 2.97Å; T264-S322 VanDerWaalsContact OG1-OG 3.08Å; T264-C327 PolarHBondContact OG1-O 3.24Å; T264-C327 VanDerWaalsContact OG1-O 3.06Å; T264-I328 HydrophobicContact CG2-CD1 3.87Å; T264-I328 HydrophobicContact CG2-CG1 3.84Å; T264-F351 HydrophobicContact CG2-CD2 4.36Å
265	R	90.7	Very high	92.6	Very high	59 Å²	59	32 Å²	32	22%	0.223	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	129.2	178.9	-171.5	-176.9	-178.8	171.3	-2	109	D81 P268 G269 Y272 G326	D81-R265 IonicContact OD1-NH1 2.83Å; D81-R265 IonicContact OD2-CZ 2.82Å; D81-R265 IonicContact OD2-NH1 3.31Å; D81-R265 PolarHBondContact OD2-NH1 3.04Å; R265-P268 PolarHBondContact NH2-O 3.42Å; R265-G269 PolarHBondContact NE-O 2.94Å; R265-G269 VanDerWaalsContact NE-O 3.11Å; R265-Y272 HydrophobicContact CB-CD1 3.87Å; R265-Y272 HydrophobicContact CB-CE1 3.98Å; R265-Y272 HydrophobicContact CG-CD1 3.99Å; R265-Y272 HydrophobicContact CG-CE1 3.78Å; R265-G326 PolarHBondContact O-N 3.41Å; R265-G326 VanDerWaalsContact O-N 3.1Å
266	T	87.1	Confident	92.6	Very high	21 Å²	21	31.3 Å²	31.3	13%	0.129	19%	0.188	C	C	.	.			trans	-100.4	87.8	-178.9	52.4	0	0	0	0	110.2	K271 I273	T266-K271 PolarHBondContact N-O 3.17Å; T266-K271 VanDerWaalsContact OG1-CG 3.3Å; T266-K271 WeakPolarHBondContact OG1-CG 3.28Å; T266-K271 PolarHBondContact OG1-O 3.26Å; T266-K271 VanDerWaalsContact OG1-O 3.08Å; T266-I273 HydrophobicContact CG2-CD1 3.56Å; T266-I273 HydrophobicContact CG2-CG1 3.95Å
267	G	78.8	Confident	92.6	Very high	20 Å²	20	30.2 Å²	30.2	21%	0.206	18%	0.182	C	C	.	.	S	Bend	trans	83	-169.5	178.4	0	0	0	0	0	114.3	G269	G267-G269 PolarHBondContact O-N 2.84Å
268	P	74.8	Confident	92.7	Very high	124 Å²	124	29.6 Å²	29.6	81%	0.805	17%	0.173	S	C	*	.	S	Bend	trans	-74.1	-23.7	-172.1	28.8	-35.1	0	0	0	113.7	R265	R265-P268 PolarHBondContact NH2-O 3.42Å
269	G	80.3	Confident	92.5	Very high	39 Å²	39	31.9 Å²	31.9	40%	0.402	18%	0.184	S	C	.	.	S	Bend	trans	-63.9	166.6	175	0	0	0	0	0	112.7	R265 G267 K271	R265-G269 PolarHBondContact NE-O 2.94Å; R265-G269 VanDerWaalsContact NE-O 3.11Å; G267-G269 PolarHBondContact O-N 2.84Å; G269-K271 PolarHBondContact O-N 2.64Å
270	H	90.1	Very high	92.3	Very high	56 Å²	56	33.3 Å²	33.3	26%	0.259	19%	0.194	S	C	.	.	S	Bend	trans	-80.7	49	169.3	-68	-88.9	0	0	0	111	A211 Y272 L293	A211-H270 PolarHBondContact O-ND1 3.37Å; H270-Y272 HydrophobicContact CB-CE2 3.82Å; H270-Y272 PolarHBondContact ND1-OH 2.93Å; H270-Y272 WeakPolarHBondContact O-CD2 3.45Å; H270-Y272 WeakPolarHBondContact O-CE2 3.44Å; H270-L293 HydrophobicContact CB-CB 3.88Å; H270-L293 WeakPolarHBondContact CB-O 3.35Å; H270-L293 PolarHBondContact O-N 3.12Å
271	K	93.8	Very high	91.9	Very high	90 Å²	90	35.5 Å²	35.5	39%	0.391	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.5	173.3	-171.3	179.6	-174.3	177.3	0	108	T266 G269 T290 I292	T266-K271 PolarHBondContact N-O 3.17Å; T266-K271 VanDerWaalsContact OG1-CG 3.3Å; T266-K271 WeakPolarHBondContact OG1-CG 3.28Å; T266-K271 PolarHBondContact OG1-O 3.26Å; T266-K271 VanDerWaalsContact OG1-O 3.08Å; G269-K271 PolarHBondContact O-N 2.64Å; K271-T290 HydrophobicContact CD-CG2 4.29Å; K271-T290 VanDerWaalsContact CE-CG2 3.42Å; K271-T290 HydrophobicContact CG-CG2 3.89Å; K271-I292 HydrophobicContact CG-CG1 4.33Å
272	Y	95.6	Very high	91.5	Very high	25 Å²	25	39.9 Å²	39.9	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	157.1	-176.6	-52.5	-94.8	0	0	0	109.5	I210 V263 T264 R265 H270 T290 V291 L293	I210-Y272 HydrophobicContact CD1-CD2 4.35Å; I210-Y272 HydrophobicContact CD1-CG 4.18Å; I210-Y272 HydrophobicContact CG2-CD1 4.06Å; I210-Y272 HydrophobicContact CG2-CD2 3.53Å; I210-Y272 HydrophobicContact CG2-CE1 3.81Å; I210-Y272 HydrophobicContact CG2-CE2 3.24Å; I210-Y272 HydrophobicContact CG2-CG 3.93Å; I210-Y272 VanDerWaalsContact CG2-CZ 3.4Å; V263-Y272 HydrophobicContact CG1-CD1 4.46Å; T264-Y272 CarbonylContact O-C 3.59Å; T264-Y272 VanDerWaalsContact O-CA 3.25Å; T264-Y272 WeakPolarHBondContact O-CA 3.22Å; R265-Y272 HydrophobicContact CB-CD1 3.87Å; R265-Y272 HydrophobicContact CB-CE1 3.98Å; R265-Y272 HydrophobicContact CG-CD1 3.99Å; R265-Y272 HydrophobicContact CG-CE1 3.78Å; H270-Y272 HydrophobicContact CB-CE2 3.82Å; H270-Y272 PolarHBondContact ND1-OH 2.93Å; H270-Y272 WeakPolarHBondContact O-CD2 3.45Å; H270-Y272 WeakPolarHBondContact O-CE2 3.44Å; Y272-T290 WeakPolarHBondContact O-CA 3.43Å; Y272-V291 PolarHBondContact N-O 2.95Å; Y272-V291 PolarHBondContact O-N 3.17Å; Y272-L293 HydrophobicContact CE2-CD1 4.24Å; Y272-L293 HydrophobicContact CE2-CG 4.3Å
273	I	96.6	Very high	91.4	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.046	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	125.4	170.5	-68.4	176.3	0	0	0	108.2	V263 T264 T266 N289 L303 F351	V263-I273 WeakPolarHBondContact CA-O 3.25Å; T264-I273 HydrophobicContact CG2-CB 4.16Å; T264-I273 PolarHBondContact N-O 3.11Å; T264-I273 VanDerWaalsContact N-O 3.08Å; T264-I273 PolarHBondContact O-N 3.04Å; T266-I273 HydrophobicContact CG2-CD1 3.56Å; T266-I273 HydrophobicContact CG2-CG1 3.95Å; I273-N289 CarbonylContact C-O 3.47Å; I273-N289 VanDerWaalsContact CA-O 3.3Å; I273-N289 WeakPolarHBondContact CA-O 3.5Å; I273-L303 HydrophobicContact CD1-CD2 3.69Å; I273-L303 HydrophobicContact CG1-CD2 4.01Å; I273-L303 HydrophobicContact CG2-CD2 3.98Å; I273-F351 HydrophobicContact CD1-CB 3.36Å; I273-F351 HydrophobicContact CD1-CD1 3.55Å; I273-F351 HydrophobicContact CD1-CD2 4.3Å; I273-F351 HydrophobicContact CD1-CE1 4.44Å; I273-F351 HydrophobicContact CD1-CG 3.47Å; I273-F351 VanDerWaalsContact CD1-CG 3.47Å; I273-F351 HydrophobicContact CG2-CD1 4Å; I273-F351 HydrophobicContact CG2-CD2 4.32Å; I273-F351 HydrophobicContact CG2-CE1 3.86Å; I273-F351 HydrophobicContact CG2-CE2 4.19Å; I273-F351 HydrophobicContact CG2-CG 4.25Å; I273-F351 HydrophobicContact CG2-CZ 3.97Å
274	V	97.1	Very high	91.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	106.7	175.5	-179.2	0	0	0	0	107.4	I210 I258 A261 V263 N289 V291	I210-V274 HydrophobicContact CD1-CG2 4.44Å; I258-V274 HydrophobicContact CD1-CG1 3.88Å; A261-V274 HydrophobicContact CB-CG1 3.76Å; V263-V274 HydrophobicContact CG2-CG2 4.32Å; V274-N289 HydrophobicContact CB-CB 4.47Å; V274-N289 PolarHBondContact N-O 3.01Å; V274-N289 PolarHBondContact O-N 2.9Å; V274-V291 HydrophobicContact CG2-CG2 3.65Å
275	L	95.9	Very high	91.4	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.5	-177	179.7	61.2	0	0	0	110.6	L262 G277 C288 W308 I328 V349 F351	L262-L275 HydrophobicContact CB-CB 4.33Å; L262-L275 PolarHBondContact N-O 2.83Å; L262-L275 PolarHBondContact O-N 3.38Å; L275-G277 PolarHBondContact O-N 2.92Å; L275-C288 WeakPolarHBondContact CD1-SG 3.38Å; L275-W308 HydrophobicContact CD1-CH2 3.78Å; L275-W308 HydrophobicContact CD1-CZ2 3.8Å; L275-W308 HydrophobicContact CD2-CH2 4.29Å; L275-W308 HydrophobicContact CG-CH2 4.37Å; L275-I328 HydrophobicContact CB-CD1 3.65Å; L275-I328 HydrophobicContact CD2-CB 4.28Å; L275-I328 HydrophobicContact CD2-CD1 3.66Å; L275-I328 HydrophobicContact CD2-CG2 4.04Å; L275-I328 HydrophobicContact CG-CD1 4.3Å; L275-V349 HydrophobicContact CD2-CB 4.45Å; L275-V349 HydrophobicContact CD2-CG1 4.41Å; L275-V349 HydrophobicContact CD2-CG2 4.19Å; L275-F351 HydrophobicContact CD1-CZ 4.03Å; L275-F351 HydrophobicContact CD2-CE2 4.21Å; L275-F351 HydrophobicContact CD2-CZ 4.12Å; L275-F351 HydrophobicContact CG-CZ 4.49Å
276	G	93.9	Very high	91.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.243	C	C	.	.			trans	60.7	-125.3	164.5	0	0	0	0	0	115.6	A261 R285 E287	A261-G276 WeakPolarHBondContact CB-O 3.44Å; G276-R285 WeakPolarHBondContact CA-O 3.4Å; G276-E287 PolarHBondContact N-O 2.87Å; G276-E287 VanDerWaalsContact N-O 3.13Å
277	G	96.1	Very high	91.9	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.01	25%	0.254	C	S	.	.			trans	87.7	-146.6	-164.8	0	0	0	0	0	112	S259 L275 R285 W318	S259-G277 CarbonylContact O-C 3.52Å; S259-G277 VanDerWaalsContact O-CA 3.28Å; S259-G277 WeakPolarHBondContact O-CA 3.43Å; L275-G277 PolarHBondContact O-N 2.92Å; G277-R285 PolarHBondContact O-N 2.92Å; G277-W318 PolarHBondContact O-NE1 3.28Å
278	Y	97.6	Very high	92.7	Very high	36 Å²	36	44.3 Å²	44.3	14%	0.141	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-130.4	139.1	-178.1	-60.1	-96.7	0	0	0	110.9	R229 I258 S259 K284 T317 W318	R229-Y278 VanDerWaalsContact CD-O 3.26Å; R229-Y278 WeakPolarHBondContact CD-O 3.26Å; I258-Y278 WeakPolarHBondContact CA-O 3.35Å; S259-Y278 PolarHBondContact N-O 2.92Å; S259-Y278 PolarHBondContact O-N 2.79Å; Y278-K284 HydrophobicContact CD1-CG 4.39Å; Y278-K284 HydrophobicContact CE1-CG 4.12Å; Y278-T317 WeakPolarHBondContact OH-CB 3.42Å; Y278-W318 AromaticContact CE2-CD1 3.93Å; Y278-W318 AromaticContact CZ-CD1 3.71Å; Y278-W318 PolarHBondContact OH-N 3.32Å; Y278-W318 PolarHBondContact OH-O 3.41Å
279	Q	94.1	Very high	93.7	Very high	51 Å²	51	38.8 Å²	38.8	24%	0.238	21%	0.208	C	C	.	.	S	Bend	trans	-94.7	-33.2	171.7	-86.5	160.5	-17.9	0	0	111.2	R229 Q283 R285 E287	R229-Q279 WeakPolarHBondContact CD-O 3.41Å; Q279-Q283 HydrophobicContact CB-CG 4.48Å; Q279-Q283 PolarHBondContact N-O 2.67Å; Q279-R285 HydrophobicContact CG-CB 4.01Å; Q279-R285 HydrophobicContact CG-CG 4.23Å; Q279-E287 PolarHBondContact NE2-OE1 2.85Å
280	S	92.6	Very high	94.5	Very high	34 Å²	34	37.4 Å²	37.4	24%	0.238	19%	0.191	C	C	.	.	S	Bend	trans	-146.1	176.2	170.9	77	0	0	0	0	110.3	S282 Q283	S280-S282 PolarHBondContact O-N 2.44Å; S280-S282 PolarHBondContact OG-N 2.79Å; S280-S282 PolarHBondContact OG-OG 2.93Å; S280-S282 VanDerWaalsContact OG-OG 3.12Å; S280-Q283 PolarHBondContact N-O 3.44Å; S280-Q283 PolarHBondContact O-N 3.26Å; S280-Q283 WeakPolarHBondContact OG-CB 3.49Å; S280-Q283 PolarHBondContact OG-N 3.49Å
281	D	89.9	Confident	94.8	Very high	95 Å²	95	34.8 Å²	34.8	51%	0.508	18%	0.179	S	C	.	.	S	Bend	trans	-69.8	-12.5	176.4	-80.1	57	0	0	0	113.9	R229	R229-D281 IonicContact CZ-OD1 2.69Å; R229-D281 IonicContact NH1-OD1 2.65Å; R229-D281 PolarHBondContact NH1-OD1 2.81Å; R229-D281 IonicContact NH2-OD1 2.68Å; R229-D281 PolarHBondContact NH2-OD1 2.86Å; R229-D281 IonicContact NH2-OD2 3.15Å
282	S	89.8	Confident	94.9	Very high	107 Å²	107	32.8 Å²	32.8	75%	0.748	17%	0.172	S	C	*	.	S	Bend	trans	-107	-12	171.8	56.4	0	0	0	0	113.8	S280	S280-S282 PolarHBondContact O-N 2.44Å; S280-S282 PolarHBondContact OG-N 2.79Å; S280-S282 PolarHBondContact OG-OG 2.93Å; S280-S282 VanDerWaalsContact OG-OG 3.12Å
283	Q	93.4	Very high	94.9	Very high	106 Å²	106	31.9 Å²	31.9	50%	0.495	17%	0.169	S	C	.	.			trans	-126.9	107.5	-169.9	-169.1	172.4	3.2	0	0	112.9	Q279 S280	Q279-Q283 HydrophobicContact CB-CG 4.48Å; Q279-Q283 PolarHBondContact N-O 2.67Å; S280-Q283 PolarHBondContact N-O 3.44Å; S280-Q283 PolarHBondContact O-N 3.26Å; S280-Q283 WeakPolarHBondContact OG-CB 3.49Å; S280-Q283 PolarHBondContact OG-N 3.49Å
284	K	96.1	Very high	94.7	Very high	18 Å²	18	33.6 Å²	33.6	8%	0.078	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-62.2	142.4	162.8	-51.5	-164.9	-48.2	-66.1	0	109.8	Y278 M286 I312 I313 S315 W318	Y278-K284 HydrophobicContact CD1-CG 4.39Å; Y278-K284 HydrophobicContact CE1-CG 4.12Å; K284-M286 HydrophobicContact CB-SD 4.08Å; K284-I312 WeakPolarHBondContact CE-O 3.4Å; K284-I312 PolarHBondContact NZ-O 2.75Å; K284-I313 PolarHBondContact NZ-O 2.64Å; K284-S315 WeakPolarHBondContact CD-O 3.4Å; K284-S315 WeakPolarHBondContact CE-O 3.48Å; K284-S315 PolarHBondContact NZ-O 3.1Å; K284-W318 HydrophobicContact CB-CZ2 4.28Å; K284-W318 HydrophobicContact CD-CB 4.43Å; K284-W318 HydrophobicContact CD-CD2 4Å; K284-W318 HydrophobicContact CD-CG 3.92Å
285	R	95.8	Very high	94.4	Very high	6 Å²	6	42.3 Å²	42.3	2%	0.023	22%	0.219	C	C	.	.			trans	-84.4	115.1	173.6	178.8	167.6	-176	-116.4	-0.5	110.3	G276 G277 Q279 E287 N289 W318	G276-R285 WeakPolarHBondContact CA-O 3.4Å; G277-R285 PolarHBondContact O-N 2.92Å; Q279-R285 HydrophobicContact CG-CB 4.01Å; Q279-R285 HydrophobicContact CG-CG 4.23Å; R285-E287 VanDerWaalsContact C-N 3.34Å; R285-E287 HydrophobicContact CG-CB 4.06Å; R285-E287 IonicContact CZ-OE2 3.93Å; R285-E287 IonicContact NE-OE2 3.83Å; R285-E287 PolarHBondContact NE-OE2 2.84Å; R285-E287 IonicContact NH2-OE2 3.88Å; R285-E287 PolarHBondContact NH2-OE2 2.88Å; R285-E287 PolarHBondContact O-N 2.84Å; R285-N289 VanDerWaalsContact CZ-OD1 3.28Å; R285-N289 PolarHBondContact NH1-OD1 3.4Å; R285-N289 PolarHBondContact NH2-OD1 3.3Å; R285-W318 VanDerWaalsContact O-CH2 3.23Å; R285-W318 WeakPolarHBondContact O-CH2 3.3Å; R285-W318 WeakPolarHBondContact O-CZ2 3.31Å
286	M	95.2	Very high	94.1	Very high	56 Å²	56	50.2 Å²	50.2	28%	0.276	25%	0.254	S	S	.	.			trans	-87.5	-1.7	-177.5	-52.7	-54.5	-65.1	0	0	114.4	K284 P305 W308 I312 I313 W318	K284-M286 HydrophobicContact CB-SD 4.08Å; M286-P305 WeakPolarHBondContact O-CB 3.44Å; M286-W308 HydrophobicContact CE-CB 4.17Å; M286-W308 HydrophobicContact CE-CD2 4.11Å; M286-W308 HydrophobicContact CE-CG 3.68Å; M286-W308 PolarHBondContact O-NE1 2.87Å; M286-I312 HydrophobicContact CE-CG2 4.21Å; M286-I313 HydrophobicContact CE-CG1 4.33Å; M286-W318 HydrophobicContact CE-CZ3 4.44Å; M286-W318 HydrophobicContact SD-CH2 4.25Å
287	E	92.6	Very high	94.1	Very high	75 Å²	75	50.5 Å²	50.5	35%	0.35	26%	0.256	S	S	.	.			trans	-85.7	161.7	-176.2	-63.1	156	-147.3	0	0	113.8	G276 Q279 R285	G276-E287 PolarHBondContact N-O 2.87Å; G276-E287 VanDerWaalsContact N-O 3.13Å; Q279-E287 PolarHBondContact NE2-OE1 2.85Å; R285-E287 VanDerWaalsContact C-N 3.34Å; R285-E287 HydrophobicContact CG-CB 4.06Å; R285-E287 IonicContact CZ-OE2 3.93Å; R285-E287 IonicContact NE-OE2 3.83Å; R285-E287 PolarHBondContact NE-OE2 2.84Å; R285-E287 IonicContact NH2-OE2 3.88Å; R285-E287 PolarHBondContact NH2-OE2 2.88Å; R285-E287 PolarHBondContact O-N 2.84Å
288	C	94.6	Very high	94.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	156.6	168	-53.5	0	0	0	0	111.1	L275 L303	L275-C288 WeakPolarHBondContact CD1-SG 3.38Å; C288-L303 HydrophobicContact CB-CB 3.88Å; C288-L303 HydrophobicContact CB-CD2 4.19Å; C288-L303 HydrophobicContact CB-CG 4.2Å; C288-L303 WeakPolarHBondContact CB-O 3.32Å; C288-L303 PolarHBondContact O-N 3.04Å; C288-L303 VanDerWaalsContact O-N 3.09Å
289	N	96.7	Very high	94.1	Very high	9 Å²	9	52.8 Å²	52.8	5%	0.048	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.3	164.5	-68.2	103	0	0	0	111.6	L256 I273 V274 R285 I300 E301	L256-N289 WeakPolarHBondContact CD1-OD1 3.36Å; I273-N289 CarbonylContact C-O 3.47Å; I273-N289 VanDerWaalsContact CA-O 3.3Å; I273-N289 WeakPolarHBondContact CA-O 3.5Å; V274-N289 HydrophobicContact CB-CB 4.47Å; V274-N289 PolarHBondContact N-O 3.01Å; V274-N289 PolarHBondContact O-N 2.9Å; R285-N289 VanDerWaalsContact CZ-OD1 3.28Å; R285-N289 PolarHBondContact NH1-OD1 3.4Å; R285-N289 PolarHBondContact NH2-OD1 3.3Å; N289-I300 HydrophobicContact CB-CG2 4.12Å; N289-E301 WeakPolarHBondContact CA-O 3.4Å; N289-E301 VanDerWaalsContact CB-O 3.32Å; N289-E301 WeakPolarHBondContact CB-O 3.26Å; N289-E301 PolarHBondContact ND2-O 3.12Å
290	T	96.3	Very high	94.2	Very high	10 Å²	10	52.1 Å²	52.1	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	135	154.1	-53.9	0	0	0	0	107.8	K271 Y272 I292 E301	K271-T290 HydrophobicContact CD-CG2 4.29Å; K271-T290 VanDerWaalsContact CE-CG2 3.42Å; K271-T290 HydrophobicContact CG-CG2 3.89Å; Y272-T290 WeakPolarHBondContact O-CA 3.43Å; T290-I292 HydrophobicContact CG2-CD1 4.28Å; T290-I292 HydrophobicContact CG2-CG1 3.84Å; T290-E301 PolarHBondContact N-O 2.8Å; T290-E301 PolarHBondContact O-N 2.81Å
291	V	97.2	Very high	94.4	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122	170	179.5	0	0	0	0	108.2	I210 I219 Y272 V274 L293 I298 H299 I300	I210-V291 HydrophobicContact CD1-CB 4.33Å; I210-V291 HydrophobicContact CD1-CG1 4.07Å; I219-V291 HydrophobicContact CD1-CG1 4.45Å; Y272-V291 PolarHBondContact N-O 2.95Å; Y272-V291 PolarHBondContact O-N 3.17Å; V274-V291 HydrophobicContact CG2-CG2 3.65Å; V291-L293 HydrophobicContact CG1-CD2 4.33Å; V291-I298 HydrophobicContact CG1-CD1 3.68Å; V291-I298 HydrophobicContact CG1-CG1 3.82Å; V291-H299 WeakPolarHBondContact CA-O 3.39Å; V291-I300 HydrophobicContact CG2-CG1 4.28Å; V291-I300 HydrophobicContact CG2-CG2 4.36Å
292	I	96.2	Very high	94.6	Very high	48 Å²	48	57 Å²	57	25%	0.246	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.5	-179	-49.2	179.6	0	0	0	107.7	K271 T290 H299	K271-I292 HydrophobicContact CG-CG1 4.33Å; T290-I292 HydrophobicContact CG2-CD1 4.28Å; T290-I292 HydrophobicContact CG2-CG1 3.84Å; I292-H299 HydrophobicContact CB-CB 4.42Å; I292-H299 PolarHBondContact N-O 3.22Å; I292-H299 PolarHBondContact O-N 3.04Å
293	L	95.9	Very high	94.8	Very high	7 Å²	7	53.4 Å²	53.4	4%	0.037	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.6	167.9	-48.7	-177.7	0	0	0	109.7	I210 R212 Y217 H270 Y272 V291 G297 I298	I210-L293 HydrophobicContact CB-CD1 4.32Å; I210-L293 HydrophobicContact CG2-CD1 3.67Å; I210-L293 HydrophobicContact CG2-CG 4.4Å; R212-L293 HydrophobicContact CB-CB 3.96Å; R212-L293 HydrophobicContact CB-CD1 3.72Å; R212-L293 WeakPolarHBondContact CD-O 3.25Å; R212-L293 HydrophobicContact CG-CB 4.39Å; Y217-L293 HydrophobicContact CD2-CD1 3.77Å; Y217-L293 HydrophobicContact CD2-CD2 3.62Å; Y217-L293 HydrophobicContact CD2-CG 4.34Å; Y217-L293 HydrophobicContact CE2-CD1 4.05Å; Y217-L293 HydrophobicContact CE2-CD2 3.79Å; Y217-L293 HydrophobicContact CE2-CG 4.44Å; Y217-L293 HydrophobicContact CG-CD2 4.17Å; H270-L293 HydrophobicContact CB-CB 3.88Å; H270-L293 WeakPolarHBondContact CB-O 3.35Å; H270-L293 PolarHBondContact O-N 3.12Å; Y272-L293 HydrophobicContact CE2-CD1 4.24Å; Y272-L293 HydrophobicContact CE2-CG 4.3Å; V291-L293 HydrophobicContact CG1-CD2 4.33Å; L293-G297 VanDerWaalsContact CA-O 3.3Å; L293-G297 WeakPolarHBondContact CA-O 3.37Å; L293-I298 HydrophobicContact CD2-CB 3.61Å; L293-I298 HydrophobicContact CD2-CD1 3.98Å; L293-I298 HydrophobicContact CD2-CG1 3.62Å
294	D	92.4	Very high	94.8	Very high	45 Å²	45	55 Å²	55	24%	0.241	26%	0.261	C	S	.	.			trans	-128.8	-159.4	178.9	80.7	-10.6	0	0	0	111.8	R212 K296 G297 H299	R212-D294 PolarHBondContact NH1-O 3.43Å; D294-K296 VanDerWaalsContact C-N 3.34Å; D294-K296 WeakPolarHBondContact OD1-CA 3.46Å; D294-K296 WeakPolarHBondContact OD1-CB 3.39Å; D294-K296 PolarHBondContact OD1-N 2.81Å; D294-K296 IonicContact OD2-NZ 2.89Å; D294-G297 PolarHBondContact N-O 3.1Å; D294-G297 PolarHBondContact OD1-N 2.87Å; D294-H299 IonicContact OD1-NE2 2.79Å; D294-H299 IonicContact OD2-NE2 2.64Å
295	E	89.9	Confident	94.5	Very high	182 Å²	182	56.3 Å²	56.3	85%	0.85	27%	0.271	S	S	*	.	S	Bend	trans	-74	-22	176.7	-62.3	178.5	173.9	0	0	113.5
296	K	90.3	Very high	94.3	Very high	169 Å²	169	56.4 Å²	56.4	74%	0.735	27%	0.273	S	S	*	.	S	Bend	trans	-88.7	-30.5	-179.8	-57.6	166.5	-167.6	141.4	0	111.3	D294	D294-K296 VanDerWaalsContact C-N 3.34Å; D294-K296 WeakPolarHBondContact OD1-CA 3.46Å; D294-K296 WeakPolarHBondContact OD1-CB 3.39Å; D294-K296 PolarHBondContact OD1-N 2.81Å; D294-K296 IonicContact OD2-NZ 2.89Å
297	G	93.1	Very high	94.2	Very high	6 Å²	6	62.9 Å²	62.9	6%	0.062	30%	0.299	C	S	.	.			trans	147.9	-124.5	170.1	0	0	0	0	0	112.4	Y217 L293 D294	Y217-G297 WeakPolarHBondContact OH-CA 3.44Å; L293-G297 VanDerWaalsContact CA-O 3.3Å; L293-G297 WeakPolarHBondContact CA-O 3.37Å; D294-G297 PolarHBondContact N-O 3.1Å; D294-G297 PolarHBondContact OD1-N 2.87Å
298	I	97.4	Very high	94.3	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.6	178.5	-177.8	169.2	0	0	0	111.1	Y217 I219 L233 L252 F254 V291 L293 I300	Y217-I298 HydrophobicContact CD1-CB 3.72Å; Y217-I298 HydrophobicContact CD1-CD1 4.13Å; Y217-I298 HydrophobicContact CD1-CG2 3.5Å; Y217-I298 VanDerWaalsContact CD1-CG2 3.5Å; Y217-I298 HydrophobicContact CE1-CB 3.66Å; Y217-I298 HydrophobicContact CE1-CG2 3.44Å; Y217-I298 VanDerWaalsContact CE1-CG2 3.44Å; Y217-I298 HydrophobicContact CG-CB 4.22Å; Y217-I298 HydrophobicContact CG-CD1 4.13Å; Y217-I298 HydrophobicContact CG-CG2 4.43Å; I219-I298 HydrophobicContact CD1-CD1 3.89Å; L233-I298 HydrophobicContact CD1-CD1 3.92Å; L233-I298 HydrophobicContact CD2-CD1 4.43Å; L233-I298 HydrophobicContact CD2-CG2 3.93Å; L252-I298 HydrophobicContact CD1-CG2 3.71Å; F254-I298 HydrophobicContact CE2-CG2 4.11Å; F254-I298 HydrophobicContact CZ-CG2 4.07Å; V291-I298 HydrophobicContact CG1-CD1 3.68Å; V291-I298 HydrophobicContact CG1-CG1 3.82Å; L293-I298 HydrophobicContact CD2-CB 3.61Å; L293-I298 HydrophobicContact CD2-CD1 3.98Å; L293-I298 HydrophobicContact CD2-CG1 3.62Å; I298-I300 HydrophobicContact CD1-CD1 4.08Å; I298-I300 HydrophobicContact CD1-CG1 4.06Å; I298-I300 HydrophobicContact CG1-CD1 4.47Å; I298-I300 HydrophobicContact CG1-CG1 3.97Å
299	H	96.5	Very high	94.3	Very high	78 Å²	78	63 Å²	63	36%	0.361	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.1	169.9	-64.3	-41.2	0	0	0	109.3	V291 I292 D294	V291-H299 WeakPolarHBondContact CA-O 3.39Å; I292-H299 HydrophobicContact CB-CB 4.42Å; I292-H299 PolarHBondContact N-O 3.22Å; I292-H299 PolarHBondContact O-N 3.04Å; D294-H299 IonicContact OD1-NE2 2.79Å; D294-H299 IonicContact OD2-NE2 2.64Å
300	I	97.3	Very high	94.2	Very high	37 Å²	37	68.5 Å²	68.5	19%	0.19	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118	-179.4	-54.1	-175.8	0	0	0	107.8	L233 F254 L256 N289 V291 I298	L233-I300 HydrophobicContact CD2-CD1 4.1Å; F254-I300 HydrophobicContact CD2-CD1 4.49Å; L256-I300 HydrophobicContact CD1-CD1 4.49Å; L256-I300 HydrophobicContact CD1-CG2 4.09Å; L256-I300 HydrophobicContact CD2-CG2 4.24Å; L256-I300 HydrophobicContact CG-CD1 4.35Å; L256-I300 HydrophobicContact CG-CG2 4.38Å; N289-I300 HydrophobicContact CB-CG2 4.12Å; V291-I300 HydrophobicContact CG2-CG1 4.28Å; V291-I300 HydrophobicContact CG2-CG2 4.36Å; I298-I300 HydrophobicContact CD1-CD1 4.08Å; I298-I300 HydrophobicContact CD1-CG1 4.06Å; I298-I300 HydrophobicContact CG1-CD1 4.47Å; I298-I300 HydrophobicContact CG1-CG1 3.97Å
301	E	95.9	Very high	94	Very high	101 Å²	101	71.2 Å²	71.2	47%	0.472	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	148.3	-178.6	-59.9	176.3	153.6	0	0	109.5	N289 T290	N289-E301 WeakPolarHBondContact CA-O 3.4Å; N289-E301 VanDerWaalsContact CB-O 3.32Å; N289-E301 WeakPolarHBondContact CB-O 3.26Å; N289-E301 PolarHBondContact ND2-O 3.12Å; T290-E301 PolarHBondContact N-O 2.8Å; T290-E301 PolarHBondContact O-N 2.81Å
302	H	94.8	Very high	93.9	Very high	130 Å²	130	71.2 Å²	71.2	60%	0.602	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.2	169.8	-179	73.6	0	0	0	109.8
303	L	94.1	Very high	93.8	Very high	32 Å²	32	72.6 Å²	72.6	17%	0.168	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.5	174.9	-178.5	65.6	0	0	0	108.6	M1 I273 C288 F351	M1-L303 HydrophobicContact CE-CD1 3.72Å; M1-L303 HydrophobicContact CE-CG 4.02Å; M1-L303 HydrophobicContact SD-CD1 4.11Å; M1-L303 HydrophobicContact SD-CD2 3.96Å; M1-L303 HydrophobicContact SD-CG 3.91Å; I273-L303 HydrophobicContact CD1-CD2 3.69Å; I273-L303 HydrophobicContact CG1-CD2 4.01Å; I273-L303 HydrophobicContact CG2-CD2 3.98Å; C288-L303 HydrophobicContact CB-CB 3.88Å; C288-L303 HydrophobicContact CB-CD2 4.19Å; C288-L303 HydrophobicContact CB-CG 4.2Å; C288-L303 WeakPolarHBondContact CB-O 3.32Å; C288-L303 PolarHBondContact O-N 3.04Å; C288-L303 VanDerWaalsContact O-N 3.09Å; L303-F351 HydrophobicContact CD2-CD1 3.92Å; L303-F351 HydrophobicContact CD2-CE1 4.08Å
304	E	92.1	Very high	93.6	Very high	140 Å²	140	79 Å²	79	65%	0.654	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-57.8	124.3	178.3	-171.7	-174.6	171.8	0	0	109.6	M1	M1-E304 HydrophobicContact CE-CB 4.32Å; M1-E304 WeakPolarHBondContact CE-O 3.39Å; M1-E304 VanDerWaalsContact SD-O 3.34Å
305	P	90.6	Very high	93.6	Very high	45 Å²	45	77.4 Å²	77.4	29%	0.292	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-70	153.9	-178.1	28.5	-34.4	0	0	0	112.1	M286	M286-P305 WeakPolarHBondContact O-CB 3.44Å
306	P	90.8	Very high	93.8	Very high	8 Å²	8	77.2 Å²	77.2	5%	0.052	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-60.2	152	168.8	29.6	-35.9	0	0	0	110.3	L3 W308 V349	L3-P306 HydrophobicContact CB-CB 4.22Å; P306-W308 HydrophobicContact CG-CD2 4.23Å; P306-W308 HydrophobicContact CG-CE3 4.14Å; P306-W308 HydrophobicContact CG-CH2 3.69Å; P306-W308 HydrophobicContact CG-CZ2 3.75Å; P306-W308 HydrophobicContact CG-CZ3 3.88Å; P306-W308 PolarHBondContact O-N 2.81Å; P306-V349 HydrophobicContact CB-CG1 4.44Å; P306-V349 HydrophobicContact CG-CG1 4Å
307	K	93.2	Very high	93.9	Very high	192 Å²	192	71.9 Å²	71.9	84%	0.835	34%	0.343	S	S	*	.			trans	-66.1	96.5	175.6	-66.7	-174.5	179.2	-177.2	0	110.1	L3	L3-K307 VanDerWaalsContact CD2-O 3.3Å; L3-K307 WeakPolarHBondContact CD2-O 3.44Å
308	W	95.5	Very high	94.1	Very high	34 Å²	34	72.3 Å²	72.3	13%	0.129	34%	0.343	C	S	.	.			trans	-62.2	139.9	-177.8	-62	120.8	0	0	0	112.3	L3 L275 M286 P306 I312 I313 W318 L330	L3-W308 HydrophobicContact CD1-CZ3 4.33Å; L3-W308 HydrophobicContact CD2-CE3 4.15Å; L275-W308 HydrophobicContact CD1-CH2 3.78Å; L275-W308 HydrophobicContact CD1-CZ2 3.8Å; L275-W308 HydrophobicContact CD2-CH2 4.29Å; L275-W308 HydrophobicContact CG-CH2 4.37Å; M286-W308 HydrophobicContact CE-CB 4.17Å; M286-W308 HydrophobicContact CE-CD2 4.11Å; M286-W308 HydrophobicContact CE-CG 3.68Å; M286-W308 PolarHBondContact O-NE1 2.87Å; P306-W308 HydrophobicContact CG-CD2 4.23Å; P306-W308 HydrophobicContact CG-CE3 4.14Å; P306-W308 HydrophobicContact CG-CH2 3.69Å; P306-W308 HydrophobicContact CG-CZ2 3.75Å; P306-W308 HydrophobicContact CG-CZ3 3.88Å; P306-W308 PolarHBondContact O-N 2.81Å; W308-I312 HydrophobicContact CD2-CG2 4.2Å; W308-I312 HydrophobicContact CE3-CB 4.38Å; W308-I312 HydrophobicContact CE3-CD1 3.82Å; W308-I312 HydrophobicContact CE3-CG2 3.72Å; W308-I312 HydrophobicContact CZ3-CD1 4.2Å; W308-I312 HydrophobicContact CZ3-CG2 4.18Å; W308-I313 HydrophobicContact CB-CD1 4.18Å; W308-I313 HydrophobicContact CB-CG1 3.82Å; W308-W318 HydrophobicContact CH2-CH2 4.29Å; W308-W318 AromaticContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CZ2-CH2 4.11Å; W308-W318 HydrophobicContact CZ2-CZ3 4Å; W308-W318 HydrophobicContact CZ3-CZ3 4.16Å; W308-L330 HydrophobicContact CH2-CD2 4.23Å; W308-L330 HydrophobicContact CZ3-CD2 3.7Å
309	T	94.9	Very high	94	Very high	44 Å²	44	73.1 Å²	73.1	27%	0.27	35%	0.346	S	S	.	.			trans	-73.5	159.3	171.3	59.9	0	0	0	0	110.8	L3 D311 I312 I313 Y347	L3-T309 HydrophobicContact CD2-CG2 4.14Å; T309-D311 PolarHBondContact O-N 3.34Å; T309-I312 PolarHBondContact O-N 3.47Å; T309-I312 VanDerWaalsContact O-N 3.11Å; T309-I312 WeakPolarHBondContact OG1-CD1 3.48Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.38Å; T309-I313 WeakPolarHBondContact O-CG1 3.33Å; T309-I313 PolarHBondContact O-N 3.31Å; T309-Y347 HydrophobicContact CG2-CE1 3.87Å; T309-Y347 PolarHBondContact OG1-OH 3.46Å
310	Q	93.4	Very high	94	Very high	124 Å²	124	70.4 Å²	70.4	58%	0.579	34%	0.34	S	S	*	.	H	α-helix	trans	-60.9	-30.9	178.5	-63.5	-61.5	-8.3	0	0	112.5	I313 H314	Q310-I313 PolarHBondContact O-N 2.63Å; Q310-H314 WeakPolarHBondContact O-CB 3.5Å; Q310-H314 PolarHBondContact O-N 3.29Å; Q310-H314 PolarHBondContact O-ND1 2.89Å; Q310-H314 PolarHBondContact OE1-CE1 3.46Å
311	D	92.3	Very high	93.9	Very high	68 Å²	68	69.2 Å²	69.2	36%	0.364	34%	0.337	S	S	.	.	H	α-helix	trans	-64.8	-42.3	175.3	-38.5	-80.4	0	0	0	111.6	T309 S315 Y345 Y347	T309-D311 PolarHBondContact O-N 3.34Å; D311-S315 WeakPolarHBondContact O-CB 3.26Å; D311-S315 PolarHBondContact O-N 3.33Å; D311-Y345 HydrophobicContact CB-CD2 4.28Å; D311-Y347 PolarHBondContact OD2-OH 2.97Å
312	I	94.9	Very high	93.9	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-72.3	-35.3	177.8	-59.4	166	0	0	0	111	L3 K284 M286 W308 T309 W318 L330 V332 Y347	L3-I312 HydrophobicContact CD1-CD1 4.23Å; L3-I312 HydrophobicContact CD2-CD1 3.98Å; K284-I312 WeakPolarHBondContact CE-O 3.4Å; K284-I312 PolarHBondContact NZ-O 2.75Å; M286-I312 HydrophobicContact CE-CG2 4.21Å; W308-I312 HydrophobicContact CD2-CG2 4.2Å; W308-I312 HydrophobicContact CE3-CB 4.38Å; W308-I312 HydrophobicContact CE3-CD1 3.82Å; W308-I312 HydrophobicContact CE3-CG2 3.72Å; W308-I312 HydrophobicContact CZ3-CD1 4.2Å; W308-I312 HydrophobicContact CZ3-CG2 4.18Å; T309-I312 PolarHBondContact O-N 3.47Å; T309-I312 VanDerWaalsContact O-N 3.11Å; T309-I312 WeakPolarHBondContact OG1-CD1 3.48Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.38Å; I312-W318 HydrophobicContact CG2-CE3 3.77Å; I312-W318 HydrophobicContact CG2-CZ3 3.78Å; I312-L330 HydrophobicContact CD1-CD2 4.12Å; I312-L330 HydrophobicContact CG2-CD2 4.39Å; I312-V332 HydrophobicContact CG1-CG1 4.14Å; I312-Y347 HydrophobicContact CD1-CD1 4Å; I312-Y347 HydrophobicContact CD1-CD2 3.73Å; I312-Y347 HydrophobicContact CD1-CE1 4.07Å; I312-Y347 HydrophobicContact CD1-CE2 3.78Å; I312-Y347 HydrophobicContact CD1-CG 3.84Å; I312-Y347 HydrophobicContact CG1-CD2 3.98Å; I312-Y347 HydrophobicContact CG1-CE2 3.65Å
313	I	94.4	Very high	93.7	Very high	76 Å²	76	60.6 Å²	60.6	39%	0.39	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-56	175.5	-68.4	165.9	0	0	0	109.8	K284 M286 W308 T309 Q310	K284-I313 PolarHBondContact NZ-O 2.64Å; M286-I313 HydrophobicContact CE-CG1 4.33Å; W308-I313 HydrophobicContact CB-CD1 4.18Å; W308-I313 HydrophobicContact CB-CG1 3.82Å; T309-I313 WeakPolarHBondContact O-CG1 3.33Å; T309-I313 PolarHBondContact O-N 3.31Å; Q310-I313 PolarHBondContact O-N 2.63Å
314	H	91.9	Very high	93.4	Very high	143 Å²	143	59.1 Å²	59.1	66%	0.662	30%	0.295	S	S	*	.	H	α-helix	trans	-79.6	-28.7	-171.1	-66.8	94.7	0	0	0	115.1	Q310 R316	Q310-H314 WeakPolarHBondContact O-CB 3.5Å; Q310-H314 PolarHBondContact O-N 3.29Å; Q310-H314 PolarHBondContact O-ND1 2.89Å; Q310-H314 PolarHBondContact OE1-CE1 3.46Å; H314-R316 PolarHBondContact O-N 3.22Å
315	S	93.2	Very high	93	Very high	11 Å²	11	57.8 Å²	57.8	8%	0.077	29%	0.293	C	S	.	.			trans	-61.4	138.2	-178.5	-179.3	0	0	0	0	111.8	K284 D311 T317 P333 E335	K284-S315 WeakPolarHBondContact CD-O 3.4Å; K284-S315 WeakPolarHBondContact CE-O 3.48Å; K284-S315 PolarHBondContact NZ-O 3.1Å; D311-S315 WeakPolarHBondContact O-CB 3.26Å; D311-S315 PolarHBondContact O-N 3.33Å; S315-T317 VanDerWaalsContact C-N 3.26Å; S315-T317 PolarHBondContact O-N 3.13Å; S315-T317 PolarHBondContact OG-O 3.37Å; S315-P333 WeakPolarHBondContact OG-CD 3.36Å; S315-P333 WeakPolarHBondContact OG-CG 3.17Å; S315-E335 PolarHBondContact OG-OE1 2.8Å
316	R	92.3	Very high	93.1	Very high	178 Å²	178	55.6 Å²	55.6	67%	0.672	28%	0.279	S	S	*	.	S	Bend	trans	-65.9	-28.6	-177.4	-175	175.2	175.1	176.3	-1.4	112.9	H314 E335	H314-R316 PolarHBondContact O-N 3.22Å; R316-E335 PolarHBondContact N-OE1 3.5Å
317	T	94.1	Very high	93.2	Very high	57 Å²	57	56 Å²	56	35%	0.35	28%	0.282	S	S	.	.			trans	-138.1	160.4	-172.1	63.7	0	0	0	0	113	Y278 S315 P333	Y278-T317 WeakPolarHBondContact OH-CB 3.42Å; S315-T317 VanDerWaalsContact C-N 3.26Å; S315-T317 PolarHBondContact O-N 3.13Å; S315-T317 PolarHBondContact OG-O 3.37Å; T317-P333 WeakPolarHBondContact O-CD 3.21Å
318	W	96.1	Very high	93.4	Very high	14 Å²	14	46.9 Å²	46.9	5%	0.053	24%	0.242	C	C	.	.			trans	-149.6	160.3	171.1	59.8	1	0	0	0	111.5	G277 Y278 K284 R285 M286 W308 I312 L330 A331 V332	G277-W318 PolarHBondContact O-NE1 3.28Å; Y278-W318 AromaticContact CE2-CD1 3.93Å; Y278-W318 AromaticContact CZ-CD1 3.71Å; Y278-W318 PolarHBondContact OH-N 3.32Å; Y278-W318 PolarHBondContact OH-O 3.41Å; K284-W318 HydrophobicContact CB-CZ2 4.28Å; K284-W318 HydrophobicContact CD-CB 4.43Å; K284-W318 HydrophobicContact CD-CD2 4Å; K284-W318 HydrophobicContact CD-CG 3.92Å; R285-W318 VanDerWaalsContact O-CH2 3.23Å; R285-W318 WeakPolarHBondContact O-CH2 3.3Å; R285-W318 WeakPolarHBondContact O-CZ2 3.31Å; M286-W318 HydrophobicContact CE-CZ3 4.44Å; M286-W318 HydrophobicContact SD-CH2 4.25Å; W308-W318 HydrophobicContact CH2-CH2 4.29Å; W308-W318 AromaticContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CH2-CZ3 3.82Å; W308-W318 HydrophobicContact CZ2-CH2 4.11Å; W308-W318 HydrophobicContact CZ2-CZ3 4Å; W308-W318 HydrophobicContact CZ3-CZ3 4.16Å; I312-W318 HydrophobicContact CG2-CE3 3.77Å; I312-W318 HydrophobicContact CG2-CZ3 3.78Å; W318-L330 HydrophobicContact CB-CD1 4.11Å; W318-L330 HydrophobicContact CD2-CD1 4.08Å; W318-L330 HydrophobicContact CE3-CD1 3.78Å; W318-L330 HydrophobicContact CE3-CD2 3.95Å; W318-L330 HydrophobicContact CE3-CG 4.38Å; W318-L330 HydrophobicContact CG-CD1 4.26Å; W318-L330 HydrophobicContact CZ3-CD2 4.25Å; W318-A331 VanDerWaalsContact CA-O 3.31Å; W318-A331 WeakPolarHBondContact CA-O 3.4Å; W318-V332 HydrophobicContact CB-CG1 3.95Å
319	F	96.4	Very high	93.4	Very high	23 Å²	23	45.6 Å²	45.6	10%	0.101	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	170.5	171	64.9	-82.7	0	0	0	110.1	Q16 P17 A331 H344	Q16-F319 VanDerWaalsContact O-CE2 3.32Å; Q16-F319 WeakPolarHBondContact O-CE2 3.39Å; P17-F319 HydrophobicContact CB-CD1 4.16Å; P17-F319 HydrophobicContact CB-CG 4.25Å; P17-F319 HydrophobicContact CG-CD1 3.72Å; P17-F319 HydrophobicContact CG-CE1 3.79Å; P17-F319 HydrophobicContact CG-CG 4.28Å; P17-F319 HydrophobicContact CG-CZ 4.39Å; F319-A331 HydrophobicContact CD1-CB 4.16Å; F319-A331 HydrophobicContact CD2-CB 4.19Å; F319-A331 HydrophobicContact CE1-CB 3.75Å; F319-A331 HydrophobicContact CE2-CB 3.79Å; F319-A331 HydrophobicContact CG-CB 4.37Å; F319-A331 HydrophobicContact CZ-CB 3.56Å; F319-A331 PolarHBondContact N-O 3.35Å; F319-A331 PolarHBondContact O-N 2.95Å; F319-H344 AromaticContact CE1-CD2 3.58Å; F319-H344 AromaticContact CE1-NE2 3.53Å; F319-H344 AromaticContact CZ-CD2 3.9Å; F319-H344 AromaticContact CZ-CE1 3.93Å; F319-H344 AromaticContact CZ-NE2 3.73Å
320	G	96	Very high	93.5	Very high	22 Å²	22	43.5 Å²	43.5	23%	0.227	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-161.2	-177.5	0	0	0	0	0	112.8	L262 L329	L262-G320 WeakPolarHBondContact CD2-O 3.48Å; G320-L329 CarbonylContact C-O 3.59Å; G320-L329 WeakPolarHBondContact CA-O 3.36Å
321	G	95.6	Very high	93.6	Very high	12 Å²	12	37.8 Å²	37.8	12%	0.124	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	171	174.9	0	0	0	0	0	112.3	A323 I328 L329	G321-A323 PolarHBondContact O-N 3.35Å; G321-I328 WeakPolarHBondContact O-CA 3.29Å; G321-I328 WeakPolarHBondContact O-CG2 3.48Å; G321-L329 PolarHBondContact N-O 3.09Å; G321-L329 PolarHBondContact O-N 2.79Å
322	S	94.3	Very high	93.6	Very high	32 Å²	32	34.6 Å²	34.6	22%	0.224	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	131.9	172.8	-179.5	0	0	0	0	111	L21 V263 T264 G324	L21-S322 WeakPolarHBondContact CB-O 3.48Å; V263-S322 WeakPolarHBondContact O-CB 3.38Å; T264-S322 PolarHBondContact OG1-OG 2.97Å; T264-S322 VanDerWaalsContact OG1-OG 3.08Å; S322-G324 VanDerWaalsContact C-N 3.31Å; S322-G324 PolarHBondContact OG-N 2.9Å; S322-G324 VanDerWaalsContact OG-N 3.1Å
323	A	92.2	Very high	93.4	Very high	17 Å²	17	36 Å²	36	14%	0.14	19%	0.19	C	C	.	.			trans	-97.8	21.9	170.2	0	0	0	0	0	111.6	I28 G321 C327	I28-A323 VanDerWaalsContact CD1-C 3.47Å; I28-A323 VanDerWaalsContact CD1-O 3.25Å; I28-A323 WeakPolarHBondContact CD1-O 3.37Å; I28-A323 WeakPolarHBondContact CG1-O 3.25Å; G321-A323 PolarHBondContact O-N 3.35Å; A323-C327 HydrophobicContact CB-CB 3.98Å; A323-C327 PolarHBondContact N-O 2.96Å
324	G	86.3	Confident	92.9	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	18%	0.18	C	C	.	.	S	Bend	trans	77	167.2	-171.7	0	0	0	0	0	113	S322 G326 C327	S322-G324 VanDerWaalsContact C-N 3.31Å; S322-G324 PolarHBondContact OG-N 2.9Å; S322-G324 VanDerWaalsContact OG-N 3.1Å; G324-G326 VanDerWaalsContact C-N 3.34Å; G324-G326 PolarHBondContact O-N 3.41Å; G324-C327 WeakPolarHBondContact O-CA 3.19Å; G324-C327 WeakPolarHBondContact O-CB 3.1Å; G324-C327 PolarHBondContact O-N 3.25Å
325	D	85.4	Confident	91.8	Very high	112 Å²	112	32.3 Å²	32.3	60%	0.599	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.3	42.2	159.3	-52	-18.3	0	0	0	117	Q23 C327	Q23-D325 PolarHBondContact NE2-OD1 3.03Å; D325-C327 VanDerWaalsContact C-N 3.32Å
326	G	91	Very high	90.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	16.5	-178	0	0	0	0	0	114.6	R265 G324 F351	R265-G326 PolarHBondContact O-N 3.41Å; R265-G326 VanDerWaalsContact O-N 3.1Å; G324-G326 VanDerWaalsContact C-N 3.34Å; G324-G326 PolarHBondContact O-N 3.41Å; G326-F351 WeakPolarHBondContact O-CA 3.5Å; G326-F351 VanDerWaalsContact O-CB 3.28Å; G326-F351 WeakPolarHBondContact O-CB 3.5Å; G326-F351 WeakPolarHBondContact O-CD2 3.4Å; G326-F351 PolarHBondContact O-N 2.68Å
327	C	94.1	Very high	88.2	Confident	17 Å²	17	34.2 Å²	34.2	12%	0.115	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.7	176.8	-63.6	0	0	0	0	111.7	T264 A323 G324 D325 H348 V349 S350	T264-C327 PolarHBondContact OG1-O 3.24Å; T264-C327 VanDerWaalsContact OG1-O 3.06Å; A323-C327 HydrophobicContact CB-CB 3.98Å; A323-C327 PolarHBondContact N-O 2.96Å; G324-C327 WeakPolarHBondContact O-CA 3.19Å; G324-C327 WeakPolarHBondContact O-CB 3.1Å; G324-C327 PolarHBondContact O-N 3.25Å; D325-C327 VanDerWaalsContact C-N 3.32Å; C327-H348 WeakPolarHBondContact CB-NE2 3.46Å; C327-V349 CarbonylContact C-O 3.59Å; C327-V349 VanDerWaalsContact CA-O 3.26Å; C327-V349 WeakPolarHBondContact CA-O 3.26Å; C327-S350 PolarHBondContact SG-OG 3.03Å
328	I	96.3	Very high	86.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.4	176.4	-70.7	175.3	0	0	0	108.9	L262 T264 L275 G321 V349 F351	L262-I328 HydrophobicContact CB-CD1 4.02Å; L262-I328 HydrophobicContact CB-CG2 4.3Å; L262-I328 HydrophobicContact CD1-CG2 3.69Å; T264-I328 HydrophobicContact CG2-CD1 3.87Å; T264-I328 HydrophobicContact CG2-CG1 3.84Å; L275-I328 HydrophobicContact CB-CD1 3.65Å; L275-I328 HydrophobicContact CD2-CB 4.28Å; L275-I328 HydrophobicContact CD2-CD1 3.66Å; L275-I328 HydrophobicContact CD2-CG2 4.04Å; L275-I328 HydrophobicContact CG-CD1 4.3Å; G321-I328 WeakPolarHBondContact O-CA 3.29Å; G321-I328 WeakPolarHBondContact O-CG2 3.48Å; I328-V349 HydrophobicContact CB-CB 4.4Å; I328-V349 PolarHBondContact N-O 3.37Å; I328-V349 PolarHBondContact O-N 3.24Å; I328-F351 HydrophobicContact CD1-CE2 4.2Å
329	L	96.5	Very high	84	Confident	6 Å²	6	42.2 Å²	42.2	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.5	163.6	-179.9	68.1	0	0	0	108.4	L6 L15 L21 M55 G320 G321	L6-L329 HydrophobicContact CD1-CD1 3.54Å; L15-L329 HydrophobicContact CD2-CD2 4.34Å; L21-L329 HydrophobicContact CD1-CB 3.72Å; L21-L329 HydrophobicContact CD1-CD2 4.06Å; L21-L329 HydrophobicContact CD1-CG 4.47Å; M55-L329 HydrophobicContact CE-CD2 3.71Å; M55-L329 HydrophobicContact SD-CD1 4.31Å; M55-L329 HydrophobicContact SD-CD2 4.02Å; G320-L329 CarbonylContact C-O 3.59Å; G320-L329 WeakPolarHBondContact CA-O 3.36Å; G321-L329 PolarHBondContact N-O 3.09Å; G321-L329 PolarHBondContact O-N 2.79Å
330	L	96.4	Very high	81.9	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.3	-178.5	-177.6	70.4	0	0	0	109.6	L262 W308 I312 W318 F346 Y347 V349	L262-L330 HydrophobicContact CD1-CD1 3.77Å; W308-L330 HydrophobicContact CH2-CD2 4.23Å; W308-L330 HydrophobicContact CZ3-CD2 3.7Å; I312-L330 HydrophobicContact CD1-CD2 4.12Å; I312-L330 HydrophobicContact CG2-CD2 4.39Å; W318-L330 HydrophobicContact CB-CD1 4.11Å; W318-L330 HydrophobicContact CD2-CD1 4.08Å; W318-L330 HydrophobicContact CE3-CD1 3.78Å; W318-L330 HydrophobicContact CE3-CD2 3.95Å; W318-L330 HydrophobicContact CE3-CG 4.38Å; W318-L330 HydrophobicContact CG-CD1 4.26Å; W318-L330 HydrophobicContact CZ3-CD2 4.25Å; L330-F346 CarbonylContact O-C 3.12Å; L330-F346 WeakPolarHBondContact O-CA 3.48Å; L330-Y347 PolarHBondContact N-O 3.27Å; L330-Y347 PolarHBondContact O-N 2.84Å; L330-V349 HydrophobicContact CB-CG2 4.37Å; L330-V349 HydrophobicContact CD2-CG2 4.49Å
331	A	94.9	Very high	80	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.025	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	139.6	178.4	0	0	0	0	0	111.1	W318 F319 H344 Y345 F346	W318-A331 VanDerWaalsContact CA-O 3.31Å; W318-A331 WeakPolarHBondContact CA-O 3.4Å; F319-A331 HydrophobicContact CD1-CB 4.16Å; F319-A331 HydrophobicContact CD2-CB 4.19Å; F319-A331 HydrophobicContact CE1-CB 3.75Å; F319-A331 HydrophobicContact CE2-CB 3.79Å; F319-A331 HydrophobicContact CG-CB 4.37Å; F319-A331 HydrophobicContact CZ-CB 3.56Å; F319-A331 PolarHBondContact N-O 3.35Å; F319-A331 PolarHBondContact O-N 2.95Å; A331-H344 HydrophobicContact CB-CB 4.47Å; A331-Y345 WeakPolarHBondContact CA-O 3.18Å; A331-F346 HydrophobicContact CB-CD1 3.71Å; A331-F346 HydrophobicContact CB-CE1 3.67Å
332	V	94.3	Very high	78.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.5	174.3	-61.3	0	0	0	0	110.2	I312 W318 H344 Y345 Y347	I312-V332 HydrophobicContact CG1-CG1 4.14Å; W318-V332 HydrophobicContact CB-CG1 3.95Å; V332-H344 CarbonylContact O-C 3.59Å; V332-H344 WeakPolarHBondContact O-CA 3.49Å; V332-H344 WeakPolarHBondContact O-CB 3.25Å; V332-Y345 HydrophobicContact CG2-CD2 4.39Å; V332-Y345 PolarHBondContact N-O 3.4Å; V332-Y345 PolarHBondContact O-N 2.77Å; V332-Y347 HydrophobicContact CG2-CE2 3.91Å
333	P	90.5	Very high	77.6	Confident	29 Å²	29	52 Å²	52	19%	0.188	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	147.1	180	29.1	-36.6	0	0	0	113.1	S315 T317 E335 V343	S315-P333 WeakPolarHBondContact OG-CD 3.36Å; S315-P333 WeakPolarHBondContact OG-CG 3.17Å; T317-P333 WeakPolarHBondContact O-CD 3.21Å; P333-E335 HydrophobicContact CG-CG 4.37Å; P333-E335 PolarHBondContact O-N 3.49Å; P333-E335 VanDerWaalsContact O-N 3.16Å; P333-V343 WeakPolarHBondContact CA-O 3.47Å
334	T	83.6	Confident	77.5	Confident	27 Å²	27	52.3 Å²	52.3	17%	0.166	31%	0.307	C	S	.	.			trans	-84.9	76.4	175.2	54.5	0	0	0	0	111.3	D342 V343 Y345	T334-D342 WeakPolarHBondContact CG2-O 3.38Å; T334-D342 PolarHBondContact OG1-O 3.44Å; T334-D342 VanDerWaalsContact OG1-O 3.05Å; T334-V343 PolarHBondContact N-O 2.56Å; T334-V343 VanDerWaalsContact N-O 3.08Å; T334-V343 VanDerWaalsContact OG1-C 3.3Å; T334-V343 PolarHBondContact OG1-O 3.15Å; T334-Y345 HydrophobicContact CG2-CD1 4.02Å; T334-Y345 HydrophobicContact CG2-CD2 4.05Å; T334-Y345 HydrophobicContact CG2-CE1 3.89Å; T334-Y345 HydrophobicContact CG2-CE2 3.94Å; T334-Y345 HydrophobicContact CG2-CG 4.09Å
335	E	69.1	Low	77.8	Confident	116 Å²	116	55.1 Å²	55.1	54%	0.542	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	137.8	178.7	-64.9	176.9	-136.9	0	0	111.7	S315 R316 P333 R337	S315-E335 PolarHBondContact OG-OE1 2.8Å; R316-E335 PolarHBondContact N-OE1 3.5Å; P333-E335 HydrophobicContact CG-CG 4.37Å; P333-E335 PolarHBondContact O-N 3.49Å; P333-E335 VanDerWaalsContact O-N 3.16Å; E335-R337 PolarHBondContact O-N 2.78Å
336	G	56.7	Low	78.2	Confident	80 Å²	80	50.1 Å²	50.1	83%	0.825	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	10.3	164.4	0	0	0	0	0	119.1
337	R	51.7	Low	78.4	Confident	149 Å²	149	50.6 Å²	50.6	56%	0.562	29%	0.293	S	S	*	.			trans	-125.9	99.9	178.1	-65.3	-172.3	-175.8	175.3	3.9	113.2	E335 S339 Q340	E335-R337 PolarHBondContact O-N 2.78Å; R337-S339 PolarHBondContact O-N 2.6Å; R337-S339 VanDerWaalsContact O-N 3.12Å; R337-Q340 HydrophobicContact CB-CG 4.42Å
338	P	51.6	Low	78.5	Confident	141 Å²	141	51.3 Å²	51.3	92%	0.916	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	2.9	-178.4	30.7	-36	0	0	0	114.9
339	S	50.2	Low	78.4	Confident	98 Å²	98	51.3 Å²	51.3	69%	0.685	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	19.8	-176.3	56.7	0	0	0	0	114.2	R337	R337-S339 PolarHBondContact O-N 2.6Å; R337-S339 VanDerWaalsContact O-N 3.12Å
340	Q	53.7	Low	78.3	Confident	93 Å²	93	52.2 Å²	52.2	44%	0.435	30%	0.302	S	S	.	.			trans	-123.3	128	177.9	-65.7	-74.1	-100	0	0	110.1	R337 D342	R337-Q340 HydrophobicContact CB-CG 4.42Å; Q340-D342 VanDerWaalsContact C-N 3.31Å
341	P	55.2	Low	78	Confident	100 Å²	100	52.4 Å²	52.4	65%	0.649	30%	0.302	S	S	*	.	S	Bend	trans	-76.2	-21.6	173.7	31.7	-34.8	0	0	0	112.4	T12 V343	T12-P341 VanDerWaalsContact CG2-O 3.25Å; T12-P341 WeakPolarHBondContact CG2-O 3.39Å; P341-V343 PolarHBondContact O-N 2.72Å
342	D	60.2	Low	76.8	Confident	36 Å²	36	58.8 Å²	58.8	19%	0.193	33%	0.331	C	S	.	.			trans	-80.3	117.3	177.7	-74.5	-51.8	0	0	0	111.5	P8 T12 T334 Q340 H344	P8-D342 HydrophobicContact CG-CB 4.41Å; P8-D342 VanDerWaalsContact CG-CG 3.47Å; P8-D342 WeakPolarHBondContact CG-OD1 3.16Å; P8-D342 WeakPolarHBondContact CG-OD2 3.37Å; T12-D342 WeakPolarHBondContact CB-OD1 3.13Å; T12-D342 WeakPolarHBondContact CG2-OD1 3.3Å; T12-D342 PolarHBondContact OG1-OD1 2.94Å; T334-D342 WeakPolarHBondContact CG2-O 3.38Å; T334-D342 PolarHBondContact OG1-O 3.44Å; T334-D342 VanDerWaalsContact OG1-O 3.05Å; Q340-D342 VanDerWaalsContact C-N 3.31Å; D342-H344 VanDerWaalsContact C-N 3.3Å; D342-H344 PolarHBondContact O-N 2.86Å
343	V	80.6	Confident	75	Confident	65 Å²	65	63.3 Å²	63.3	39%	0.394	35%	0.352	S	S	.	.	S	Bend	trans	-77.1	-15.2	-177.1	-174.8	0	0	0	0	112.8	P333 T334 P341	P333-V343 WeakPolarHBondContact CA-O 3.47Å; T334-V343 PolarHBondContact N-O 2.56Å; T334-V343 VanDerWaalsContact N-O 3.08Å; T334-V343 VanDerWaalsContact OG1-C 3.3Å; T334-V343 PolarHBondContact OG1-O 3.15Å; P341-V343 PolarHBondContact O-N 2.72Å
344	H	89.4	Confident	72.5	Confident	24 Å²	24	71.2 Å²	71.2	11%	0.111	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	142	-177.7	-48.8	101.1	0	0	0	111.4	F319 A331 V332 D342 F346	F319-H344 AromaticContact CE1-CD2 3.58Å; F319-H344 AromaticContact CE1-NE2 3.53Å; F319-H344 AromaticContact CZ-CD2 3.9Å; F319-H344 AromaticContact CZ-CE1 3.93Å; F319-H344 AromaticContact CZ-NE2 3.73Å; A331-H344 HydrophobicContact CB-CB 4.47Å; V332-H344 CarbonylContact O-C 3.59Å; V332-H344 WeakPolarHBondContact O-CA 3.49Å; V332-H344 WeakPolarHBondContact O-CB 3.25Å; D342-H344 VanDerWaalsContact C-N 3.3Å; D342-H344 PolarHBondContact O-N 2.86Å; H344-F346 HydrophobicContact CB-CE1 4.19Å; H344-F346 HydrophobicContact CB-CE2 4.28Å; H344-F346 HydrophobicContact CB-CZ 3.89Å
345	Y	91.8	Very high	70.2	Confident	59 Å²	59	78.5 Å²	78.5	23%	0.231	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.7	161.2	-60.5	-52.2	0	0	0	109.8	D311 A331 V332 T334	D311-Y345 HydrophobicContact CB-CD2 4.28Å; A331-Y345 WeakPolarHBondContact CA-O 3.18Å; V332-Y345 HydrophobicContact CG2-CD2 4.39Å; V332-Y345 PolarHBondContact N-O 3.4Å; V332-Y345 PolarHBondContact O-N 2.77Å; T334-Y345 HydrophobicContact CG2-CD1 4.02Å; T334-Y345 HydrophobicContact CG2-CD2 4.05Å; T334-Y345 HydrophobicContact CG2-CE1 3.89Å; T334-Y345 HydrophobicContact CG2-CE2 3.94Å; T334-Y345 HydrophobicContact CG2-CG 4.09Å
346	F	94.2	Very high	68.2	Low	8 Å²	8	82.3 Å²	82.3	4%	0.035	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	143.2	-179.2	-63.8	-72.8	0	0	0	111.2	L6 P8 L15 M55 L330 A331 H344	L6-F346 HydrophobicContact CB-CB 4.04Å; L6-F346 PolarHBondContact N-O 2.75Å; P8-F346 HydrophobicContact CB-CD2 4.09Å; P8-F346 HydrophobicContact CB-CE2 4.1Å; P8-F346 HydrophobicContact CG-CD2 4.17Å; P8-F346 HydrophobicContact CG-CE2 4.3Å; L15-F346 HydrophobicContact CB-CE1 4.12Å; L15-F346 HydrophobicContact CB-CZ 4.04Å; L15-F346 HydrophobicContact CD1-CZ 4.49Å; L15-F346 HydrophobicContact CD2-CD1 4.33Å; L15-F346 HydrophobicContact CD2-CE1 3.59Å; L15-F346 HydrophobicContact CD2-CZ 4.12Å; L15-F346 HydrophobicContact CG-CE1 4.33Å; L15-F346 HydrophobicContact CG-CZ 4.43Å; M55-F346 HydrophobicContact SD-CG 4.44Å; L330-F346 CarbonylContact O-C 3.12Å; L330-F346 WeakPolarHBondContact O-CA 3.48Å; A331-F346 HydrophobicContact CB-CD1 3.71Å; A331-F346 HydrophobicContact CB-CE1 3.67Å; H344-F346 HydrophobicContact CB-CE1 4.19Å; H344-F346 HydrophobicContact CB-CE2 4.28Å; H344-F346 HydrophobicContact CB-CZ 3.89Å
347	Y	95.9	Very high	66.7	Low	10 Å²	10	83 Å²	83	4%	0.039	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.7	179.7	-61.3	-92	0	0	0	111.1	L3 Q4 A5 T309 D311 I312 L330 V332	L3-Y347 HydrophobicContact CD1-CD1 4.16Å; L3-Y347 HydrophobicContact CD1-CG 4.27Å; L3-Y347 HydrophobicContact CG-CD1 4.35Å; Q4-Y347 CarbonylContact O-C 3.53Å; Q4-Y347 WeakPolarHBondContact O-CA 3.43Å; A5-Y347 HydrophobicContact CB-CD1 3.97Å; A5-Y347 HydrophobicContact CB-CE1 3.86Å; T309-Y347 HydrophobicContact CG2-CE1 3.87Å; T309-Y347 PolarHBondContact OG1-OH 3.46Å; D311-Y347 PolarHBondContact OD2-OH 2.97Å; I312-Y347 HydrophobicContact CD1-CD1 4Å; I312-Y347 HydrophobicContact CD1-CD2 3.73Å; I312-Y347 HydrophobicContact CD1-CE1 4.07Å; I312-Y347 HydrophobicContact CD1-CE2 3.78Å; I312-Y347 HydrophobicContact CD1-CG 3.84Å; I312-Y347 HydrophobicContact CG1-CD2 3.98Å; I312-Y347 HydrophobicContact CG1-CE2 3.65Å; L330-Y347 PolarHBondContact N-O 3.27Å; L330-Y347 PolarHBondContact O-N 2.84Å; V332-Y347 HydrophobicContact CG2-CE2 3.91Å
348	H	95.5	Very high	65.4	Low	31 Å²	31	84 Å²	84	14%	0.144	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	121	168.8	-172.2	-107	0	0	0	109.5	Q4 L6 C327	Q4-H348 HydrophobicContact CB-CB 4.44Å; Q4-H348 PolarHBondContact N-O 2.91Å; Q4-H348 PolarHBondContact O-N 2.66Å; L6-H348 HydrophobicContact CD1-CB 4.11Å; L6-H348 HydrophobicContact CD2-CB 4.06Å; L6-H348 HydrophobicContact CG-CB 4.16Å; C327-H348 WeakPolarHBondContact CB-NE2 3.46Å
349	V	95.4	Very high	64.4	Low	0 Å²	0	85.5 Å²	85.5	0%	0	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.4	173.5	-163.4	0	0	0	0	108.1	T2 L3 L275 P306 C327 I328 L330 F351	T2-V349 WeakPolarHBondContact O-CA 3.22Å; L3-V349 HydrophobicContact CD1-CG2 3.84Å; L275-V349 HydrophobicContact CD2-CB 4.45Å; L275-V349 HydrophobicContact CD2-CG1 4.41Å; L275-V349 HydrophobicContact CD2-CG2 4.19Å; P306-V349 HydrophobicContact CB-CG1 4.44Å; P306-V349 HydrophobicContact CG-CG1 4Å; C327-V349 CarbonylContact C-O 3.59Å; C327-V349 VanDerWaalsContact CA-O 3.26Å; C327-V349 WeakPolarHBondContact CA-O 3.26Å; I328-V349 HydrophobicContact CB-CB 4.4Å; I328-V349 PolarHBondContact N-O 3.37Å; I328-V349 PolarHBondContact O-N 3.24Å; L330-V349 HydrophobicContact CB-CG2 4.37Å; L330-V349 HydrophobicContact CD2-CG2 4.49Å; V349-F351 HydrophobicContact CB-CE2 4.11Å; V349-F351 HydrophobicContact CG1-CD2 4.32Å; V349-F351 HydrophobicContact CG1-CE1 4.48Å; V349-F351 HydrophobicContact CG1-CE2 3.5Å; V349-F351 VanDerWaalsContact CG1-CE2 3.5Å; V349-F351 HydrophobicContact CG1-CZ 3.59Å
350	S	94	Very high	63.3	Low	26 Å²	26	89.9 Å²	89.9	18%	0.182	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.3	177.8	-170.5	0	0	0	0	112	M1 T2 C327	M1-S350 CarbonylContact C-O 3.56Å; M1-S350 VanDerWaalsContact CA-O 3.27Å; M1-S350 WeakPolarHBondContact CA-O 3.33Å; T2-S350 PolarHBondContact N-O 2.69Å; T2-S350 PolarHBondContact O-N 3.43Å; C327-S350 PolarHBondContact SG-OG 3.03Å
351	F	89.9	Confident	62.1	Low	5 Å²	5	94.9 Å²	94.9	2%	0.022	47%	0.471	C	S	.	.			trans	-98.6	92	174.7	-58.4	-91	0	0	0	108.3	M1 T264 I273 L275 L303 G326 I328 V349 Q353	M1-F351 HydrophobicContact CG-CD1 3.61Å; M1-F351 HydrophobicContact CG-CE1 4.2Å; M1-F351 HydrophobicContact CG-CG 4.38Å; M1-F351 HydrophobicContact SD-CD1 3.43Å; M1-F351 WeakPolarHBondContact SD-CD1 3.48Å; M1-F351 HydrophobicContact SD-CE1 3.62Å; T264-F351 HydrophobicContact CG2-CD2 4.36Å; I273-F351 HydrophobicContact CD1-CB 3.36Å; I273-F351 HydrophobicContact CD1-CD1 3.55Å; I273-F351 HydrophobicContact CD1-CD2 4.3Å; I273-F351 HydrophobicContact CD1-CE1 4.44Å; I273-F351 HydrophobicContact CD1-CG 3.47Å; I273-F351 VanDerWaalsContact CD1-CG 3.47Å; I273-F351 HydrophobicContact CG2-CD1 4Å; I273-F351 HydrophobicContact CG2-CD2 4.32Å; I273-F351 HydrophobicContact CG2-CE1 3.86Å; I273-F351 HydrophobicContact CG2-CE2 4.19Å; I273-F351 HydrophobicContact CG2-CG 4.25Å; I273-F351 HydrophobicContact CG2-CZ 3.97Å; L275-F351 HydrophobicContact CD1-CZ 4.03Å; L275-F351 HydrophobicContact CD2-CE2 4.21Å; L275-F351 HydrophobicContact CD2-CZ 4.12Å; L275-F351 HydrophobicContact CG-CZ 4.49Å; L303-F351 HydrophobicContact CD2-CD1 3.92Å; L303-F351 HydrophobicContact CD2-CE1 4.08Å; G326-F351 WeakPolarHBondContact O-CA 3.5Å; G326-F351 VanDerWaalsContact O-CB 3.28Å; G326-F351 WeakPolarHBondContact O-CB 3.5Å; G326-F351 WeakPolarHBondContact O-CD2 3.4Å; G326-F351 PolarHBondContact O-N 2.68Å; I328-F351 HydrophobicContact CD1-CE2 4.2Å; V349-F351 HydrophobicContact CB-CE2 4.11Å; V349-F351 HydrophobicContact CG1-CD2 4.32Å; V349-F351 HydrophobicContact CG1-CE1 4.48Å; V349-F351 HydrophobicContact CG1-CE2 3.5Å; V349-F351 VanDerWaalsContact CG1-CE2 3.5Å; V349-F351 HydrophobicContact CG1-CZ 3.59Å; F351-Q353 PolarHBondContact O-N 3.35Å
352	Q	69.4	Low	60.7	Low	136 Å²	136	93.7 Å²	93.7	64%	0.636	48%	0.477	S	S	*	.			trans	-49.1	124.6	180	-71.6	160	-71.2	0	0	110.9
353	Q	57.3	Low	59	Low	96 Å²	96	98.3 Å²	98.3	45%	0.449	51%	0.507	S	S	.	.			trans	-62.6	147.1	153.6	-68.6	171.2	-7.4	0	0	108.7	F351 K355	F351-Q353 PolarHBondContact O-N 3.35Å; Q353-K355 PolarHBondContact O-N 3.22Å
354	E	37.6	Very low	56.4	Low	195 Å²	195	104.2 Å²	104.2	91%	0.911	53%	0.53	S	S	*	.			trans	-65	88.8	156.9	-69.1	171.9	141	0	0	107.6
355	K	35	Very low	53.1	Low	180 Å²	180	106.8 Å²	106.8	78%	0.783	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-65.6	132.3	158.2	-67.8	-175.3	177.7	-177.5	0	106.7	Q353 S357	Q353-K355 PolarHBondContact O-N 3.22Å; K355-S357 PolarHBondContact O-N 3.28Å
356	E	27.2	Very low	50	Low	196 Å²	196	109.9 Å²	109.9	92%	0.916	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-52.1	137.5	167.5	-66.4	-178.7	131.8	0	0	109.1	N358	E356-N358 PolarHBondContact O-N 3.03Å
357	S	24.2	Very low	46.8	Very low	96 Å²	96	115.3 Å²	115.3	67%	0.671	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-63.7	119.2	-159.4	51	0	0	0	0	113.3	K355	K355-S357 PolarHBondContact O-N 3.28Å
358	N	25.8	Very low	43.6	Very low	168 Å²	168	122.4 Å²	122.4	90%	0.898	66%	0.657	S	S	*	*			trans	-115.6	108.4	141.7	-90	-20.2	0	0	0	106.8	E356	E356-N358 PolarHBondContact O-N 3.03Å
359	E	29.2	Very low	40.2	Very low	174 Å²	174	128.4 Å²	128.4	81%	0.813	69%	0.685	S	S	*	*			trans	-84.6	142.8	179.9	-56.1	177.8	131.8	0	0	110.2
360	E	28.6	Very low	36.9	Very low	190 Å²	190	133.4 Å²	133.4	89%	0.888	72%	0.72	S	S	*	*			trans	172.7	86.6	150.9	-99.9	169.5	-151.5	0	0	105.1
361	E	27.6	Very low	33.5	Very low	197 Å²	197	137.3 Å²	137.3	92%	0.921	74%	0.743	S	S	*	*				87.1	126.4	84.8	-170.3	174.7	-113.9	0	0	111.8
362	G	25.3	Very low	30.4	Very low	75 Å²	75	143.1 Å²	143.1	77%	0.773	77%	0.774	S	S	*	*			trans	159.8	92.4	-172.3	0	0	0	0	0	111.3
363	T	24.4	Very low	28.4	Very low	134 Å²	134	146.4 Å²	146.4	82%	0.822	78%	0.782	S	S	*	*			trans	-96.6	-173.6	-169.9	50.6	0	0	0	0	113.2
364	Q	25.8	Very low	27	Very low	188 Å²	188	148.6 Å²	148.6	88%	0.879	80%	0.797	S	S	*	*			trans	88.1	151.5	162.3	-153.7	172.6	13.9	0	0	117.6
365	A	21.3	Very low	26.4	Very low	79 Å²	79	145.6 Å²	145.6	65%	0.653	79%	0.787	S	S	*	*				-177.9	148.9	-75.5	0	0	0	0	0	110.4
366	C	25.4	Very low	26.1	Very low	124 Å²	124	141.7 Å²	141.7	84%	0.838	78%	0.782	S	S	*	*			trans	66.7	160.3	174.5	-53.3	0	0	0	0	115.1
367	S	28	Very low	26.1	Very low	121 Å²	121	139 Å²	139	85%	0.846	78%	0.78	S	S	*	*			cis	-143.4	170.6	17.7	-58.6	0	0	0	0	113.8
368	Q	27.7	Very low	26.6	Very low	160 Å²	160	139.9 Å²	139.9	75%	0.748	78%	0.783	S	S	*	*			trans	-85	175.1	170	-72.3	162.9	-96.2	0	0	112.1
369	E	25.2	Very low	26.8	Very low	156 Å²	156	139.4 Å²	139.4	73%	0.729	78%	0.78	S	S	*	*			cis	-131.1	-126.3	9.8	-154.9	83.8	-90.2	0	0	111.7
370	S	25.3	Very low	26.7	Very low	105 Å²	105	139.9 Å²	139.9	73%	0.734	78%	0.782	S	S	*	*			cis	-154.7	165.9	7.1	70.2	0	0	0	0	115.4
371	T	23.1	Very low	26.5	Very low	109 Å²	109	137.6 Å²	137.6	67%	0.669	78%	0.776	S	S	*	*			trans	-54.1	163.9	164.3	45.4	0	0	0	0	116.5
372	D	24.6	Very low	27.1	Very low	127 Å²	127	133.3 Å²	133.3	68%	0.679	77%	0.767	S	S	*	*			cis	-161.2	169.5	9.5	-113.1	-17	0	0	0	113.7
373	Y	28.3	Very low	27.4	Very low	205 Å²	205	137.8 Å²	137.8	80%	0.804	77%	0.768	S	S	*	*			trans	11.5	148.9	159.9	-66.3	-85.5	0	0	0	122.5
374	D	28	Very low	28	Very low	141 Å²	141	140 Å²	140	75%	0.754	77%	0.769	S	S	*	*				-163.7	-165.8	61.4	-150.7	-18	0	0	0	115.7
375	N	25.3	Very low	28.4	Very low	133 Å²	133	137.2 Å²	137.2	71%	0.711	76%	0.759	S	S	*	*			trans	-79.2	137.3	-153.6	-88.2	-81.3	0	0	0	120.7
376	S	29	Very low	28.8	Very low	97 Å²	97	140.5 Å²	140.5	68%	0.678	76%	0.756	S	S	*	*			trans	17.4	144.7	135.2	71.6	0	0	0	0	123.7
377	T	26.9	Very low	29	Very low	141 Å²	141	144 Å²	144	87%	0.865	76%	0.758	S	S	*	*				-157.6	157	127.5	5.4	0	0	0	0	110.6
378	P	34	Very low	29.1	Very low	114 Å²	114	141.5 Å²	141.5	74%	0.74	75%	0.75	S	S	*	*			trans	-106.6	136	-167.5	37.4	-30.3	0	0	0	115.3
379	L	29.8	Very low	29.3	Very low	158 Å²	158	145.4 Å²	145.4	83%	0.827	76%	0.758	S	S	*	*			trans	-146.4	123.9	159	-63.6	173.6	0	0	0	104.9
380	E	27.1	Very low	29.5	Very low	183 Å²	183	146.9 Å²	146.9	86%	0.855	77%	0.765	S	S	*	*			cis	88.3	114.2	48.8	-163.5	162.8	-117.3	0	0	112.7
381	D	24.9	Very low	29.8	Very low	143 Å²	143	146.6 Å²	146.6	77%	0.765	76%	0.761	S	S	*	*			trans	48.5	112	178.3	-95.8	-32.8	0	0	0	123.4
382	S	40.8	Very low	30.1	Very low	106 Å²	106	149.6 Å²	149.6	74%	0.741	77%	0.767	S	S	*	*				38.8	107.9	113.7	-47.3	0	0	0	0	121.4
383	E	31.4	Very low	30.4	Very low	170 Å²	170	153 Å²	153	79%	0.794	78%	0.778	S	S	*	*			trans	-150.9	135.1	143.7	50.5	-173.8	161.1	0	0	114.3	L385	E383-L385 HydrophobicContact CG-CD2 4.27Å
384	E	35.4	Very low	30.6	Very low	179 Å²	179	151.4 Å²	151.4	84%	0.836	78%	0.783	S	S	*	*			trans	-81.4	110.3	169.5	-65.5	-172.3	137.9	0	0	109.3	Y386	E384-Y386 PolarHBondContact O-N 3.12Å
385	L	34.8	Very low	30.6	Very low	130 Å²	130	153.9 Å²	153.9	68%	0.681	79%	0.79	S	S	*	*			trans	-72.5	90.5	-174.3	-69.9	-178	0	0	0	113.9	E383 F387	E383-L385 HydrophobicContact CG-CD2 4.27Å; L385-F387 PolarHBondContact O-N 3.26Å
386	Y	29.2	Very low	30.8	Very low	149 Å²	149	155.3 Å²	155.3	58%	0.584	80%	0.798	S	S	*	*			trans	-61.1	118.4	159.2	-130.5	-102.4	0	0	0	109.5	N173 E384 G388	N173-Y386 HydrophobicContact CB-CE2 3.96Å; N173-Y386 VanDerWaalsContact ND2-CZ 3.28Å; N173-Y386 PolarHBondContact ND2-OH 2.91Å; E384-Y386 PolarHBondContact O-N 3.12Å; Y386-G388 VanDerWaalsContact C-N 3.27Å; Y386-G388 PolarHBondContact O-N 3.32Å
387	F	30.9	Very low	30.8	Very low	198 Å²	198	156.4 Å²	156.4	87%	0.868	81%	0.805	S	S	*	*			trans	-77	80.9	172.1	-77.8	-79.1	0	0	0	111.1	L385	L385-F387 PolarHBondContact O-N 3.26Å
388	G	28.8	Very low	31.1	Very low	67 Å²	67	154.2 Å²	154.2	69%	0.691	80%	0.796	S	S	*	*			trans	-59.4	150.3	156.9	0	0	0	0	0	110.6	Y386	Y386-G388 VanDerWaalsContact C-N 3.27Å; Y386-G388 PolarHBondContact O-N 3.32Å
389	R	33.3	Very low	31.1	Very low	243 Å²	243	156 Å²	156	92%	0.917	80%	0.799	S	S	*	*			trans	-124.5	110.6	-176.1	-177	-168.5	-168.5	-165	4.3	108.9
390	E	27.7	Very low	31.2	Very low	187 Å²	187	155.9 Å²	155.9	87%	0.874	80%	0.799	S	S	*	*			trans	-112.4	161.3	170.2	-69.2	-147.5	132.6	0	0	111.6
391	P	33.5	Very low	31.7	Very low	98 Å²	98	156.5 Å²	156.5	64%	0.636	80%	0.802	S	S	*	*			trans	-109.4	-171	-161.6	33.3	-17.2	0	0	0	113.1
392	H	28.6	Very low	32.2	Very low	172 Å²	172	153.3 Å²	153.3	80%	0.796	80%	0.803	S	S	*	*			trans	78.4	68.3	175.7	-46.4	-73.5	0	0	0	117.1
393	E	30.6	Very low	32	Very low	198 Å²	198	156 Å²	156	93%	0.925	81%	0.809	S	S	*	*			trans	-131.3	98.7	130.1	-72.1	-162.7	161.1	0	0	108.7
394	L	32.4	Very low	32.3	Very low	173 Å²	173	155.7 Å²	155.7	91%	0.906	81%	0.811	S	S	*	*			trans	-124.2	93.7	164.5	-90.4	177.1	0	0	0	106.3
395	E	28.6	Very low	32.6	Very low	193 Å²	193	157.2 Å²	157.2	90%	0.902	81%	0.811	S	S	*	*			trans	-147.1	154.2	162.6	-134.5	163.3	-143.7	0	0	110.2
396	N	29.1	Very low	32.9	Very low	163 Å²	163	156.2 Å²	156.2	87%	0.872	81%	0.806	S	S	*	*			trans	-93.4	142.1	-156.3	-56.6	-38.8	0	0	0	112.6
397	S	28.1	Very low	33.6	Very low	119 Å²	119	157 Å²	157	83%	0.832	82%	0.815	S	S	*	*			trans	-132.6	115.3	147.4	50.7	0	0	0	0	108.9
398	S	33.5	Very low	34.1	Very low	96 Å²	96	156 Å²	156	67%	0.671	81%	0.813	S	S	*	*			trans	-74.7	155.2	155.5	53.6	0	0	0	0	108.5
399	D	33.7	Very low	34.8	Very low	150 Å²	150	160.2 Å²	160.2	80%	0.802	82%	0.82	S	S	*	*				-172.8	159.2	104.2	-83.7	-9	0	0	0	109.3
400	D	32.6	Very low	35.3	Very low	157 Å²	157	155.1 Å²	155.1	84%	0.84	81%	0.806	S	S	*	*			trans	-73.6	148.9	178.2	-86.5	-58	0	0	0	111.8
401	E	38.1	Very low	36	Very low	196 Å²	196	155.3 Å²	155.3	92%	0.916	81%	0.807	S	S	*	*				-166.1	139.4	100.6	-104.8	-173.9	-164.5	0	0	114.3
402	G	35.4	Very low	36.3	Very low	75 Å²	75	155.8 Å²	155.8	77%	0.773	81%	0.805	S	S	*	*			trans	-50.4	138.8	-171.6	0	0	0	0	0	118.5
403	D	37	Very low	36.8	Very low	162 Å²	162	153.7 Å²	153.7	87%	0.866	80%	0.795	S	S	*	*			trans	-122.3	132.6	143.1	-131.9	-22.9	0	0	0	107.3	Y405	D403-Y405 PolarHBondContact O-N 2.85Å
404	I	36.8	Very low	37.2	Very low	165 Å²	165	148.3 Å²	148.3	85%	0.846	78%	0.779	S	S	*	*			trans	-81.6	111	-161.5	-61.7	172.7	0	0	0	111.1
405	Y	41.8	Very low	37.2	Very low	211 Å²	211	147.9 Å²	147.9	83%	0.827	77%	0.773	S	S	*	*			trans	-69	137.5	164.8	-108.6	-106.8	0	0	0	110.6	D403	D403-Y405 PolarHBondContact O-N 2.85Å
406	N	42.1	Very low	37.6	Very low	109 Å²	109	143.5 Å²	143.5	58%	0.583	76%	0.759	S	S	*	*			trans	-107.1	96.8	177	-166.1	73.1	0	0	0	109.7	E408	N406-E408 PolarHBondContact O-N 3.39Å; N406-E408 VanDerWaalsContact O-N 3.14Å
407	E	44.3	Very low	37.7	Very low	164 Å²	164	138.7 Å²	138.7	77%	0.766	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-70.9	-3.2	-172.6	-59.9	-176.9	163.3	0	0	114.3	D409	E407-D409 VanDerWaalsContact C-N 3.26Å; E407-D409 PolarHBondContact O-N 3.11Å
408	E	39.5	Very low	37.9	Very low	178 Å²	178	142.4 Å²	142.4	83%	0.832	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-75.8	-4.6	-178.1	-59.3	-169.5	145.5	0	0	114.9	N406	N406-E408 PolarHBondContact O-N 3.39Å; N406-E408 VanDerWaalsContact O-N 3.14Å
409	D	44	Very low	38.4	Very low	155 Å²	155	148.7 Å²	148.7	83%	0.829	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-101.4	8.5	179.5	-120	11	0	0	0	112.9	E407 E411	E407-D409 VanDerWaalsContact C-N 3.26Å; E407-D409 PolarHBondContact O-N 3.11Å; D409-E411 PolarHBondContact O-N 3.44Å
410	E	45.1	Very low	38.8	Very low	136 Å²	136	148.1 Å²	148.1	64%	0.636	75%	0.75	S	S	*	*			trans	-74.8	106.3	173.9	-71.4	-77.6	139.6	0	0	111.3	D412	E410-D412 PolarHBondContact O-N 3.35Å
411	E	42.4	Very low	39.4	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	75%	0.748	S	S	*	*			trans	-68.6	94	168.6	-77.6	-169.6	135.6	0	0	110.8	D409 E413	D409-E411 PolarHBondContact O-N 3.44Å; E411-E413 PolarHBondContact O-N 3.15Å; E411-E413 VanDerWaalsContact O-N 3.08Å
412	D	39	Very low	40	Very low	108 Å²	108	141.1 Å²	141.1	58%	0.578	71%	0.712	S	S	*	*			trans	8.8	82.3	168.5	-173.1	6.3	0	0	0	116.1	E410 S414 Q415	E410-D412 PolarHBondContact O-N 3.35Å; D412-S414 PolarHBondContact O-N 3.05Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 3.23Å; D412-S414 VanDerWaalsContact OD1-N 3.13Å; D412-S414 PolarHBondContact OD1-OG 3.23Å; D412-S414 PolarHBondContact OD2-OG 3.25Å; D412-Q415 PolarHBondContact O-N 3.3Å
413	E	39.4	Very low	40.8	Very low	127 Å²	127	139.1 Å²	139.1	59%	0.593	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-60.8	-4.4	178.6	-73.6	-149.6	131.2	0	0	113.9	E411 Q415 T416	E411-E413 PolarHBondContact O-N 3.15Å; E411-E413 VanDerWaalsContact O-N 3.08Å; E413-Q415 PolarHBondContact O-N 3.43Å; E413-T416 PolarHBondContact O-N 2.76Å; E413-T416 VanDerWaalsContact O-N 3.17Å; E413-T416 PolarHBondContact O-OG1 2.94Å
414	S	38.2	Very low	41.3	Very low	86 Å²	86	139.4 Å²	139.4	60%	0.601	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-61.4	-16.9	177.3	74.6	0	0	0	0	114	D412	D412-S414 PolarHBondContact O-N 3.05Å; D412-S414 WeakPolarHBondContact OD1-CB 3.44Å; D412-S414 PolarHBondContact OD1-N 3.23Å; D412-S414 VanDerWaalsContact OD1-N 3.13Å; D412-S414 PolarHBondContact OD1-OG 3.23Å; D412-S414 PolarHBondContact OD2-OG 3.25Å
415	Q	33.5	Very low	42.1	Very low	164 Å²	164	134.3 Å²	134.3	77%	0.766	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-85.9	-16.4	178.1	-63.1	-67	-44.6	0	0	114.8	D412 E413	D412-Q415 PolarHBondContact O-N 3.3Å; E413-Q415 PolarHBondContact O-N 3.43Å
416	T	36.2	Very low	42.7	Very low	101 Å²	101	126.6 Å²	126.6	62%	0.62	65%	0.65	S	S	*	*			trans	-105.6	20.3	-172.2	51.7	0	0	0	0	114.5	E413 Y418	E413-T416 PolarHBondContact O-N 2.76Å; E413-T416 VanDerWaalsContact O-N 3.17Å; E413-T416 PolarHBondContact O-OG1 2.94Å; T416-Y418 PolarHBondContact O-N 2.87Å
417	G	30.4	Very low	43.1	Very low	62 Å²	62	130.6 Å²	130.6	64%	0.639	67%	0.666	S	S	*	*			trans	-69.4	88.6	180	0	0	0	0	0	115.4	W419	G417-W419 PolarHBondContact O-N 3.1Å
418	Y	32.7	Very low	43.4	Very low	196 Å²	196	125.7 Å²	125.7	77%	0.769	65%	0.647	S	S	*	*			trans	-67.4	102.6	168.2	-87.8	-57.4	0	0	0	112.2	T416	T416-Y418 PolarHBondContact O-N 2.87Å
419	W	45.3	Very low	43.9	Very low	228 Å²	228	120.3 Å²	120.3	86%	0.864	62%	0.624	S	S	*	*			trans	66.2	68.5	156.8	-44.3	117	0	0	0	118.7	G417	G417-W419 PolarHBondContact O-N 3.1Å
420	I	40.7	Very low	44.1	Very low	138 Å²	138	117.1 Å²	117.1	71%	0.708	61%	0.612	S	S	*	*			trans	-115.7	58.2	170.7	-40.9	-179	0	0	0	112.9	P430	I420-P430 HydrophobicContact CG2-CG 4.42Å
421	K	44.7	Very low	43.9	Very low	182 Å²	182	117.6 Å²	117.6	79%	0.791	62%	0.618	S	S	*	*			trans	-145.2	102.9	160.6	-72.8	-163	177.1	178	0	111.8
422	C	50.8	Low	44	Very low	24 Å²	24	113.6 Å²	113.6	16%	0.162	61%	0.608	C	S	.	*	S	Bend	trans	-77.1	-25.6	177.1	-171.7	0	0	0	0	113.5	C426 H459	C422-C426 HydrophobicContact CB-CB 4.18Å; C422-H459 PolarHBondContact SG-N 3.12Å; C422-H459 VanDerWaalsContact SG-N 3.41Å; C422-H459 PolarHBondContact SG-ND1 3.27Å
423	C	54.1	Low	44	Very low	33 Å²	33	113.5 Å²	113.5	22%	0.223	60%	0.599	C	S	.	*	S	Bend	trans	-168.8	175.5	171.4	60.2	0	0	0	0	108.2	G425 C426 D484	C423-G425 PolarHBondContact O-N 3.22Å; C423-C426 PolarHBondContact SG-N 2.98Å; C423-C426 VanDerWaalsContact SG-N 3.37Å; C423-D484 VanDerWaalsContact CB-OD2 3.3Å; C423-D484 WeakPolarHBondContact CB-OD2 3.42Å
424	L	47.3	Very low	43.7	Very low	169 Å²	169	115.9 Å²	115.9	89%	0.885	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-10.2	176.9	-80.7	168	0	0	0	114.6
425	G	53.1	Low	43.5	Very low	57 Å²	57	113.5 Å²	113.5	59%	0.588	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	13	-177.4	0	0	0	0	0	115.6	C423 Q427	C423-G425 PolarHBondContact O-N 3.22Å; G425-Q427 PolarHBondContact O-N 2.94Å; G425-Q427 VanDerWaalsContact O-N 3.13Å
426	C	55.1	Low	43.4	Very low	49 Å²	49	114.3 Å²	114.3	33%	0.331	60%	0.601	S	S	.	*			trans	-69	108.1	-175.5	-179.9	0	0	0	0	112	C422 C423	C422-C426 HydrophobicContact CB-CB 4.18Å; C423-C426 PolarHBondContact SG-N 2.98Å; C423-C426 VanDerWaalsContact SG-N 3.37Å
427	Q	49.7	Very low	43.7	Very low	193 Å²	193	117.1 Å²	117.1	90%	0.902	60%	0.602	S	S	*	*			trans	-100.5	15.3	176.1	-63.1	-170.2	0.2	0	0	114.2	G425 D429	G425-Q427 PolarHBondContact O-N 2.94Å; G425-Q427 VanDerWaalsContact O-N 3.13Å; Q427-D429 PolarHBondContact O-N 2.88Å
428	V	51.2	Low	44.1	Very low	62 Å²	62	116.7 Å²	116.7	38%	0.376	59%	0.589	S	S	.	*			trans	-73.2	115.4	172.9	-175.7	0	0	0	0	109.1	W433	V428-W433 HydrophobicContact CG1-CB 4.46Å; V428-W433 HydrophobicContact CG1-CG 4.3Å
429	D	49.2	Very low	44.8	Very low	65 Å²	65	113.3 Å²	113.3	35%	0.348	59%	0.589	S	S	.	*			trans	-70.5	123.9	168.7	166.7	27.2	0	0	0	109.7	Q427 N431 T432	Q427-D429 PolarHBondContact O-N 2.88Å; D429-N431 PolarHBondContact O-N 3.48Å; D429-N431 VanDerWaalsContact O-N 3.17Å; D429-N431 PolarHBondContact OD1-N 2.82Å; D429-N431 PolarHBondContact OD1-ND2 3.45Å; D429-T432 WeakPolarHBondContact CB-OG1 3.21Å; D429-T432 WeakPolarHBondContact OD2-CB 3.48Å; D429-T432 VanDerWaalsContact OD2-CG2 3.27Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.26Å; D429-T432 PolarHBondContact OD2-N 2.76Å; D429-T432 PolarHBondContact OD2-OG1 2.86Å
430	P	47.9	Very low	44.7	Very low	88 Å²	88	110.7 Å²	110.7	57%	0.571	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-24.2	177.2	-25.1	35.2	0	0	0	114.6	I420	I420-P430 HydrophobicContact CG2-CG 4.42Å
431	N	41.8	Very low	44.6	Very low	145 Å²	145	110.9 Å²	110.9	78%	0.775	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-10.5	-168.9	-56.1	-62	0	0	0	114.8	D429	D429-N431 PolarHBondContact O-N 3.48Å; D429-N431 VanDerWaalsContact O-N 3.17Å; D429-N431 PolarHBondContact OD1-N 2.82Å; D429-N431 PolarHBondContact OD1-ND2 3.45Å
432	T	44.1	Very low	44.4	Very low	109 Å²	109	110.1 Å²	110.1	67%	0.669	59%	0.587	S	S	*	*	S	Bend	trans	-121.9	17.2	-178.4	52.8	0	0	0	0	113.8	D429 E434	D429-T432 WeakPolarHBondContact CB-OG1 3.21Å; D429-T432 WeakPolarHBondContact OD2-CB 3.48Å; D429-T432 VanDerWaalsContact OD2-CG2 3.27Å; D429-T432 WeakPolarHBondContact OD2-CG2 3.26Å; D429-T432 PolarHBondContact OD2-N 2.76Å; D429-T432 PolarHBondContact OD2-OG1 2.86Å; T432-E434 PolarHBondContact O-N 3.42Å
433	W	38.2	Very low	44	Very low	105 Å²	105	119.5 Å²	119.5	40%	0.398	62%	0.619	S	S	.	*			trans	-85.2	102.4	-175.1	-174	74.8	0	0	0	113.7	V428 P435 P444	V428-W433 HydrophobicContact CG1-CB 4.46Å; V428-W433 HydrophobicContact CG1-CG 4.3Å; W433-P435 HydrophobicContact CE3-CG 4.44Å; W433-P435 HydrophobicContact CH2-CB 3.56Å; W433-P435 HydrophobicContact CH2-CG 3.95Å; W433-P435 HydrophobicContact CZ2-CB 3.77Å; W433-P435 HydrophobicContact CZ3-CB 4.01Å; W433-P435 HydrophobicContact CZ3-CG 3.89Å; W433-P444 HydrophobicContact CH2-CB 4.01Å
434	E	33.4	Very low	43.5	Very low	177 Å²	177	121.7 Å²	121.7	83%	0.827	63%	0.633	S	S	*	*			trans	-94.9	121.9	162.3	-70.5	-166.1	154	0	0	111.3	T432	T432-E434 PolarHBondContact O-N 3.42Å
435	P	34.5	Very low	43.9	Very low	37 Å²	37	116.1 Å²	116.1	24%	0.24	61%	0.611	C	S	.	*			trans	-73.4	133.7	175.9	23.4	-30.5	0	0	0	113.9	W433 Y437	W433-P435 HydrophobicContact CE3-CG 4.44Å; W433-P435 HydrophobicContact CH2-CB 3.56Å; W433-P435 HydrophobicContact CH2-CG 3.95Å; W433-P435 HydrophobicContact CZ2-CB 3.77Å; W433-P435 HydrophobicContact CZ3-CB 4.01Å; W433-P435 HydrophobicContact CZ3-CG 3.89Å; P435-Y437 HydrophobicContact CB-CE1 4.4Å; P435-Y437 HydrophobicContact CB-CE2 4.39Å; P435-Y437 HydrophobicContact CG-CD2 4.26Å; P435-Y437 HydrophobicContact CG-CE1 3.96Å; P435-Y437 HydrophobicContact CG-CE2 3.62Å; P435-Y437 VanDerWaalsContact CG-CZ 3.44Å; P435-Y437 WeakPolarHBondContact O-CD2 3.28Å; P435-Y437 PolarHBondContact O-N 3.16Å
436	L	32	Very low	44	Very low	180 Å²	180	116.9 Å²	116.9	94%	0.942	60%	0.6	S	S	*	*			trans	-72.5	103.7	156.9	-114.1	75.7	0	0	0	109
437	Y	42.5	Very low	44.2	Very low	161 Å²	161	116 Å²	116	63%	0.631	59%	0.592	S	S	*	*			trans	-79	153.3	-179.5	-70.9	-76.4	0	0	0	113.8	P435	P435-Y437 HydrophobicContact CB-CE1 4.4Å; P435-Y437 HydrophobicContact CB-CE2 4.39Å; P435-Y437 HydrophobicContact CG-CD2 4.26Å; P435-Y437 HydrophobicContact CG-CE1 3.96Å; P435-Y437 HydrophobicContact CG-CE2 3.62Å; P435-Y437 VanDerWaalsContact CG-CZ 3.44Å; P435-Y437 WeakPolarHBondContact O-CD2 3.28Å; P435-Y437 PolarHBondContact O-N 3.16Å
438	S	38.4	Very low	44.7	Very low	52 Å²	52	110.8 Å²	110.8	36%	0.364	57%	0.566	S	S	.	*			trans	-115.3	159.4	135.8	78.7	0	0	0	0	109.9	E440 E467	S438-E440 PolarHBondContact O-N 3.19Å; S438-E467 WeakPolarHBondContact CB-OE1 3.35Å; S438-E467 PolarHBondContact OG-OE1 3.06Å
439	T	45.9	Very low	45.4	Very low	125 Å²	125	107.9 Å²	107.9	77%	0.767	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	4	-138.2	44.4	0	0	0	0	117.5
440	E	44.6	Very low	45.8	Very low	173 Å²	173	106.9 Å²	106.9	81%	0.808	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-6.1	-167.2	-64.7	-170.7	163.4	0	0	116.1	S438	S438-E440 PolarHBondContact O-N 3.19Å
441	L	37.6	Very low	46.3	Very low	142 Å²	142	107.3 Å²	107.3	74%	0.743	54%	0.539	S	S	*	.			trans	-134.5	105.8	178.3	-69.2	174.6	0	0	0	112.3	R443	L441-R443 PolarHBondContact O-N 2.65Å
442	H	41.1	Very low	47	Very low	167 Å²	167	103.3 Å²	103.3	77%	0.773	53%	0.532	S	S	*	.			trans	-79.5	38.1	-176.7	-73.3	67.7	0	0	0	114.1
443	R	42.3	Very low	47.2	Very low	221 Å²	221	108 Å²	108	83%	0.834	55%	0.547	S	S	*	.	S	Bend	trans	-150.1	151.4	175.6	-72.3	-165.5	178.9	178.2	0.4	111.3	L441	L441-R443 PolarHBondContact O-N 2.65Å
444	P	44.7	Very low	48.1	Very low	79 Å²	79	111.8 Å²	111.8	51%	0.513	57%	0.569	S	S	.	*			trans	-61.9	139.5	-178.1	24.3	-34.7	0	0	0	113.2	W433 M446	W433-P444 HydrophobicContact CH2-CB 4.01Å; P444-M446 PolarHBondContact O-N 2.74Å
445	A	54.4	Low	49.3	Very low	52 Å²	52	104.5 Å²	104.5	43%	0.43	54%	0.541	S	S	.	.			trans	-79.1	100.5	178.8	0	0	0	0	0	111.7	A460 L470	A445-A460 HydrophobicContact CB-CB 4.07Å; A445-A460 WeakPolarHBondContact O-CB 3.5Å; A445-A460 PolarHBondContact O-N 3.06Å; A445-L470 HydrophobicContact CB-CD1 4.38Å
446	M	55.6	Low	50.7	Low	73 Å²	73	105.7 Å²	105.7	36%	0.36	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.1	170.2	-58.7	-58.6	-69.1	0	0	110.7	P444 W457 V458 H459	P444-M446 PolarHBondContact O-N 2.74Å; M446-W457 HydrophobicContact CB-CE3 3.76Å; M446-W457 HydrophobicContact CB-CZ3 4.3Å; M446-W457 HydrophobicContact CE-CB 3.87Å; M446-V458 WeakPolarHBondContact CA-O 3.38Å; M446-H459 PolarHBondContact SD-CD2 3.22Å
447	I	60.1	Low	52.2	Low	30 Å²	30	104.8 Å²	104.8	15%	0.154	53%	0.528	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.9	173	-65.9	169	0	0	0	110	V458 L465 L470 L473 Y480	I447-V458 PolarHBondContact N-O 2.88Å; I447-V458 PolarHBondContact O-N 2.95Å; I447-L465 HydrophobicContact CD1-CD1 3.55Å; I447-L470 HydrophobicContact CD1-CD2 3.54Å; I447-L473 HydrophobicContact CD1-CD1 4.14Å; I447-Y480 HydrophobicContact CB-CD1 4.42Å; I447-Y480 HydrophobicContact CG2-CD1 3.38Å; I447-Y480 HydrophobicContact CG2-CD2 4.25Å; I447-Y480 HydrophobicContact CG2-CE1 3.95Å; I447-Y480 HydrophobicContact CG2-CG 3.55Å
448	F	59.7	Low	53.1	Low	84 Å²	84	97.3 Å²	97.3	37%	0.368	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.7	175.9	-172	-108.4	0	0	0	111.6	H456 W457	F448-H456 CarbonylContact C-O 3.53Å; F448-H456 WeakPolarHBondContact CA-O 3.33Å; F448-H456 WeakPolarHBondContact CD2-O 3.41Å; F448-W457 HydrophobicContact CB-CD2 4.04Å; F448-W457 HydrophobicContact CB-CE3 3.87Å; F448-W457 HydrophobicContact CB-CH2 3.98Å; F448-W457 HydrophobicContact CB-CZ2 4.12Å; F448-W457 HydrophobicContact CB-CZ3 3.85Å; F448-W457 AromaticContact CD2-CD1 3.98Å; F448-W457 AromaticContact CD2-CD2 3.99Å; F448-W457 HydrophobicContact CD2-CD2 3.99Å; F448-W457 AromaticContact CD2-CE2 3.76Å; F448-W457 HydrophobicContact CD2-CG 4.14Å; F448-W457 HydrophobicContact CD2-CZ2 4.27Å; F448-W457 AromaticContact CD2-NE1 3.73Å; F448-W457 HydrophobicContact CG-CZ2 4.48Å
449	C	64.8	Low	54.3	Low	0 Å²	0	98.7 Å²	98.7	0%	0	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	116.4	168.9	-176.9	0	0	0	0	110.3	K451 G455 H456 V458 Y480 C482 H485	C449-K451 VanDerWaalsContact C-N 3.29Å; C449-K451 PolarHBondContact O-N 3.03Å; C449-G455 VanDerWaalsContact O-CA 3.31Å; C449-G455 WeakPolarHBondContact O-CA 3.48Å; C449-H456 PolarHBondContact N-O 2.96Å; C449-H456 PolarHBondContact O-N 3.04Å; C449-V458 HydrophobicContact CB-CG2 4.42Å; C449-Y480 HydrophobicContact CB-CD1 4.49Å; C449-C482 HydrophobicContact CB-CB 4.35Å; C449-C482 PolarHBondContact SG-N 3.1Å; C449-C482 VanDerWaalsContact SG-N 3.43Å; C449-C482 VanDerWaalsContact SG-SG 3.61Å; C449-H485 PolarHBondContact SG-ND1 3.06Å
450	S	59.2	Low	55.1	Low	44 Å²	44	93.2 Å²	93.2	31%	0.308	47%	0.467	S	S	.	.			trans	-90.4	36.7	-175.5	62.8	0	0	0	0	114.4	Y480	S450-Y480 PolarHBondContact N-O 3.25Å
451	K	57.8	Low	55.8	Low	97 Å²	97	90.5 Å²	90.5	42%	0.422	45%	0.454	S	S	.	.			trans	-125.9	146.3	178.3	-124.6	-169.6	-176.6	-169.5	0	109.6	C449 F481 H485	C449-K451 VanDerWaalsContact C-N 3.29Å; C449-K451 PolarHBondContact O-N 3.03Å; K451-F481 HydrophobicContact CB-CD1 3.99Å; K451-F481 HydrophobicContact CB-CE1 4.35Å; K451-F481 HydrophobicContact CD-CD1 3.95Å; K451-F481 HydrophobicContact CD-CE1 4.41Å; K451-F481 HydrophobicContact CG-CD1 3.86Å; K451-F481 HydrophobicContact CG-CE1 3.97Å; K451-H485 HydrophobicContact CB-CB 4.34Å; K451-H485 HydrophobicContact CD-CB 3.74Å; K451-H485 PolarHBondContact NZ-O 3.2Å; K451-H485 PolarHBondContact O-CE1 3.05Å
452	G	56	Low	57	Low	61 Å²	61	85.4 Å²	85.4	63%	0.629	43%	0.43	S	S	*	.	S	Bend	trans	100.1	177.4	-168.3	0	0	0	0	0	111.1
453	E	49.2	Very low	58	Low	208 Å²	208	78.4 Å²	78.4	97%	0.972	40%	0.398	S	S	*	.	S	Bend	trans	-77.6	-26.6	-177.3	-62.2	-171	136.5	0	0	112.7
454	E	56.3	Low	58.9	Low	184 Å²	184	76.9 Å²	76.9	86%	0.86	40%	0.4	S	S	*	.	S	Bend	trans	-120.2	-17.9	178.5	-59.1	-174.8	142.3	0	0	113.8
455	G	59.2	Low	59.8	Low	24 Å²	24	74.9 Å²	74.9	25%	0.247	39%	0.385	C	S	.	.			trans	71.6	179.8	-171	0	0	0	0	0	113.2	C449	C449-G455 VanDerWaalsContact O-CA 3.31Å; C449-G455 WeakPolarHBondContact O-CA 3.48Å
456	H	63	Low	60.3	Low	63 Å²	63	75.3 Å²	75.3	29%	0.292	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	162.6	177.6	60.4	-111.2	0	0	0	112.8	F448 C449 V458 C482 H485	F448-H456 CarbonylContact C-O 3.53Å; F448-H456 WeakPolarHBondContact CA-O 3.33Å; F448-H456 WeakPolarHBondContact CD2-O 3.41Å; C449-H456 PolarHBondContact N-O 2.96Å; C449-H456 PolarHBondContact O-N 3.04Å; H456-V458 WeakPolarHBondContact CD2-CG2 3.49Å; H456-V458 WeakPolarHBondContact NE2-CG2 3.48Å; H456-C482 VanDerWaalsContact CE1-SG 3.56Å; H456-C482 PolarHBondContact NE2-SG 2.64Å; H456-H485 AromaticContact CE1-CE1 3.39Å; H456-H485 PolarHBondContact CE1-CE1 3.46Å; H456-H485 AromaticContact CE1-ND1 3.58Å; H456-H485 AromaticContact ND1-CE1 3.8Å
457	W	63	Low	60.4	Low	161 Å²	161	76.8 Å²	76.8	61%	0.61	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.3	174	-67.2	94	0	0	0	111.9	M446 F448	M446-W457 HydrophobicContact CB-CE3 3.76Å; M446-W457 HydrophobicContact CB-CZ3 4.3Å; M446-W457 HydrophobicContact CE-CB 3.87Å; F448-W457 HydrophobicContact CB-CD2 4.04Å; F448-W457 HydrophobicContact CB-CE3 3.87Å; F448-W457 HydrophobicContact CB-CH2 3.98Å; F448-W457 HydrophobicContact CB-CZ2 4.12Å; F448-W457 HydrophobicContact CB-CZ3 3.85Å; F448-W457 AromaticContact CD2-CD1 3.98Å; F448-W457 AromaticContact CD2-CD2 3.99Å; F448-W457 HydrophobicContact CD2-CD2 3.99Å; F448-W457 AromaticContact CD2-CE2 3.76Å; F448-W457 HydrophobicContact CD2-CG 4.14Å; F448-W457 HydrophobicContact CD2-CZ2 4.27Å; F448-W457 AromaticContact CD2-NE1 3.73Å; F448-W457 HydrophobicContact CG-CZ2 4.48Å
458	V	61.7	Low	60.5	Low	3 Å²	3	79.8 Å²	79.8	2%	0.018	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	140.2	-179.3	-164.1	0	0	0	0	110.3	M446 I447 C449 H456 M463 C482	M446-V458 WeakPolarHBondContact CA-O 3.38Å; I447-V458 PolarHBondContact N-O 2.88Å; I447-V458 PolarHBondContact O-N 2.95Å; C449-V458 HydrophobicContact CB-CG2 4.42Å; H456-V458 WeakPolarHBondContact CD2-CG2 3.49Å; H456-V458 WeakPolarHBondContact NE2-CG2 3.48Å; V458-M463 HydrophobicContact CB-CG 4.43Å; V458-M463 HydrophobicContact CG1-CG 3.52Å; V458-M463 HydrophobicContact CG1-SD 3.64Å; V458-C482 HydrophobicContact CG2-CB 4.15Å
459	H	64	Low	60.7	Low	81 Å²	81	79.3 Å²	79.3	38%	0.375	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	127.9	169	-59.9	117.7	0	0	0	110.6	C422 M446 Q461 C462	C422-H459 PolarHBondContact SG-N 3.12Å; C422-H459 VanDerWaalsContact SG-N 3.41Å; C422-H459 PolarHBondContact SG-ND1 3.27Å; M446-H459 PolarHBondContact SD-CD2 3.22Å; H459-Q461 PolarHBondContact O-N 3.04Å; H459-Q461 VanDerWaalsContact O-N 3.12Å; H459-C462 HydrophobicContact CB-CB 4.33Å; H459-C462 PolarHBondContact O-N 2.74Å; H459-C462 VanDerWaalsContact O-N 3.1Å
460	A	62.4	Low	60.5	Low	10 Å²	10	81.3 Å²	81.3	8%	0.083	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-55.8	-31.8	178.2	0	0	0	0	0	114.1	A445 M463 L470	A445-A460 HydrophobicContact CB-CB 4.07Å; A445-A460 WeakPolarHBondContact O-CB 3.5Å; A445-A460 PolarHBondContact O-N 3.06Å; A460-M463 WeakPolarHBondContact O-CB 3.32Å; A460-M463 PolarHBondContact O-N 2.83Å; A460-L470 HydrophobicContact CB-CD1 4.11Å; A460-L470 HydrophobicContact CB-CD2 3.84Å
461	Q	59.6	Low	60.5	Low	116 Å²	116	82.3 Å²	82.3	54%	0.542	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-73.2	-29.4	179.9	-172.9	173.1	-2.5	0	0	113.6	H459 M463	H459-Q461 PolarHBondContact O-N 3.04Å; H459-Q461 VanDerWaalsContact O-N 3.12Å; Q461-M463 PolarHBondContact O-N 3.16Å; Q461-M463 VanDerWaalsContact O-N 3.1Å
462	C	62.8	Low	60.6	Low	35 Å²	35	83.9 Å²	83.9	24%	0.236	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-69	-3.3	172.4	-67.9	0	0	0	0	112.8	H459	H459-C462 HydrophobicContact CB-CB 4.33Å; H459-C462 PolarHBondContact O-N 2.74Å; H459-C462 VanDerWaalsContact O-N 3.1Å
463	M	61.3	Low	60.7	Low	20 Å²	20	83.2 Å²	83.2	10%	0.099	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-125.1	7.5	-169.5	-58.7	-52.1	-52.1	0	0	113.5	V458 A460 Q461 L465 Y480 C482 L483	V458-M463 HydrophobicContact CB-CG 4.43Å; V458-M463 HydrophobicContact CG1-CG 3.52Å; V458-M463 HydrophobicContact CG1-SD 3.64Å; A460-M463 WeakPolarHBondContact O-CB 3.32Å; A460-M463 PolarHBondContact O-N 2.83Å; Q461-M463 PolarHBondContact O-N 3.16Å; Q461-M463 VanDerWaalsContact O-N 3.1Å; M463-L465 HydrophobicContact CB-CD1 4.1Å; M463-L465 HydrophobicContact CB-CD2 4.29Å; M463-L465 HydrophobicContact CB-CG 3.77Å; M463-L465 WeakPolarHBondContact O-CD2 3.39Å; M463-L465 WeakPolarHBondContact O-CG 3.46Å; M463-L465 PolarHBondContact O-N 3.4Å; M463-Y480 WeakPolarHBondContact CE-OH 3.29Å; M463-Y480 WeakPolarHBondContact CG-OH 3.27Å; M463-C482 HydrophobicContact CE-CB 4.03Å; M463-C482 HydrophobicContact SD-CB 4.42Å; M463-L483 HydrophobicContact CE-CB 3.84Å; M463-L483 HydrophobicContact CE-CD1 3.57Å; M463-L483 HydrophobicContact CE-CG 3.5Å; M463-L483 VanDerWaalsContact CE-N 3.33Å; M463-L483 HydrophobicContact SD-CD1 4.39Å
464	E	61.8	Low	61	Low	190 Å²	190	78 Å²	78	89%	0.888	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	25.7	179.4	-58.5	-173.5	172.1	0	0	115.1	S466	E464-S466 PolarHBondContact O-N 3.12Å
465	L	63.5	Low	60.6	Low	36 Å²	36	76.6 Å²	76.6	19%	0.188	40%	0.395	C	S	.	.			trans	-76.7	124	-174.8	-54.8	179.1	0	0	0	111.1	I447 M463 L469 L470 Y480	I447-L465 HydrophobicContact CD1-CD1 3.55Å; M463-L465 HydrophobicContact CB-CD1 4.1Å; M463-L465 HydrophobicContact CB-CD2 4.29Å; M463-L465 HydrophobicContact CB-CG 3.77Å; M463-L465 WeakPolarHBondContact O-CD2 3.39Å; M463-L465 WeakPolarHBondContact O-CG 3.46Å; M463-L465 PolarHBondContact O-N 3.4Å; L465-L469 HydrophobicContact CD2-CD2 3.86Å; L465-L470 HydrophobicContact CB-CD2 3.87Å; L465-L470 HydrophobicContact CB-CG 4.45Å; L465-L470 HydrophobicContact CD1-CD2 3.92Å; L465-Y480 HydrophobicContact CD1-CE2 3.94Å; L465-Y480 HydrophobicContact CD2-CE2 4.31Å
466	S	64.4	Low	60.2	Low	61 Å²	61	77 Å²	77	43%	0.427	40%	0.399	S	S	.	.			trans	-66.8	147.9	174.5	76.3	0	0	0	0	111.6	E464 T468 L469 L470	E464-S466 PolarHBondContact O-N 3.12Å; S466-T468 PolarHBondContact O-N 3.29Å; S466-T468 PolarHBondContact OG-OG1 3.45Å; S466-T468 VanDerWaalsContact OG-OG1 3.09Å; S466-L469 WeakPolarHBondContact O-CA 3.3Å; S466-L469 VanDerWaalsContact O-CB 3.22Å; S466-L469 WeakPolarHBondContact O-CB 3.28Å; S466-L469 PolarHBondContact O-N 3.04Å; S466-L469 PolarHBondContact OG-N 3.46Å; S466-L470 PolarHBondContact O-N 2.76Å
467	E	58.6	Low	59.5	Low	105 Å²	105	80.4 Å²	80.4	49%	0.491	43%	0.43	S	S	.	.	H	α-helix	trans	-49.9	-45.3	174.9	-172	-157.1	165	0	0	112.4	S438 L469 L470 V471	S438-E467 WeakPolarHBondContact CB-OE1 3.35Å; S438-E467 PolarHBondContact OG-OE1 3.06Å; E467-L469 PolarHBondContact O-N 3.05Å; E467-L469 VanDerWaalsContact O-N 3.15Å; E467-L470 WeakPolarHBondContact O-CB 3.36Å; E467-L470 PolarHBondContact O-N 3.03Å; E467-V471 WeakPolarHBondContact O-CG2 3.02Å; E467-V471 PolarHBondContact O-N 2.82Å
468	T	62.7	Low	59.2	Low	93 Å²	93	79.9 Å²	79.9	57%	0.571	43%	0.432	S	S	*	.	H	α-helix	trans	-64.1	-15.1	175.8	39.6	0	0	0	0	114.5	S466 K472	S466-T468 PolarHBondContact O-N 3.29Å; S466-T468 PolarHBondContact OG-OG1 3.45Å; S466-T468 VanDerWaalsContact OG-OG1 3.09Å; T468-K472 VanDerWaalsContact O-CD 3.27Å; T468-K472 WeakPolarHBondContact O-CD 3.4Å; T468-K472 VanDerWaalsContact O-CG 3.29Å; T468-K472 WeakPolarHBondContact O-CG 3.46Å
469	L	62.8	Low	58.8	Low	73 Å²	73	87.5 Å²	87.5	38%	0.382	47%	0.465	S	S	.	.	H	α-helix	trans	-87.7	-41.7	168.6	-156.1	86	0	0	0	111	L465 S466 E467 V471 K472 L473	L465-L469 HydrophobicContact CD2-CD2 3.86Å; S466-L469 WeakPolarHBondContact O-CA 3.3Å; S466-L469 VanDerWaalsContact O-CB 3.22Å; S466-L469 WeakPolarHBondContact O-CB 3.28Å; S466-L469 PolarHBondContact O-N 3.04Å; S466-L469 PolarHBondContact OG-N 3.46Å; E467-L469 PolarHBondContact O-N 3.05Å; E467-L469 VanDerWaalsContact O-N 3.15Å; L469-V471 PolarHBondContact O-N 2.89Å; L469-K472 CarbonylContact O-C 3.59Å; L469-K472 WeakPolarHBondContact O-CA 3.22Å; L469-K472 WeakPolarHBondContact O-CB 3.42Å; L469-K472 PolarHBondContact O-N 2.93Å; L469-L473 HydrophobicContact CD2-CD1 4.39Å; L469-L473 WeakPolarHBondContact O-CG 3.5Å; L469-L473 PolarHBondContact O-N 3.43Å
470	L	62.1	Low	58.6	Low	42 Å²	42	85 Å²	85	22%	0.22	45%	0.452	C	S	.	.	H	α-helix	trans	-57.3	-47.1	175.8	-58	178.6	0	0	0	111.2	A445 I447 A460 L465 S466 E467 K472 L473 S474	A445-L470 HydrophobicContact CB-CD1 4.38Å; I447-L470 HydrophobicContact CD1-CD2 3.54Å; A460-L470 HydrophobicContact CB-CD1 4.11Å; A460-L470 HydrophobicContact CB-CD2 3.84Å; L465-L470 HydrophobicContact CB-CD2 3.87Å; L465-L470 HydrophobicContact CB-CG 4.45Å; L465-L470 HydrophobicContact CD1-CD2 3.92Å; S466-L470 PolarHBondContact O-N 2.76Å; E467-L470 WeakPolarHBondContact O-CB 3.36Å; E467-L470 PolarHBondContact O-N 3.03Å; L470-K472 VanDerWaalsContact C-N 3.26Å; L470-K472 PolarHBondContact O-N 3.06Å; L470-L473 PolarHBondContact O-N 3.23Å; L470-S474 PolarHBondContact O-N 3.12Å
471	V	57.6	Low	58.7	Low	66 Å²	66	88.8 Å²	88.8	40%	0.4	47%	0.467	S	S	.	.	H	α-helix	trans	-61.4	-32	175.2	175.7	0	0	0	0	112.2	E467 L469 S474 Q475	E467-V471 WeakPolarHBondContact O-CG2 3.02Å; E467-V471 PolarHBondContact O-N 2.82Å; L469-V471 PolarHBondContact O-N 2.89Å; V471-S474 PolarHBondContact O-OG 3.5Å; V471-S474 VanDerWaalsContact O-OG 3.12Å; V471-Q475 WeakPolarHBondContact O-CB 3.48Å; V471-Q475 VanDerWaalsContact O-CD 3.32Å; V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.3Å
472	K	60.2	Low	58.8	Low	130 Å²	130	83.4 Å²	83.4	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-80.1	-15.1	175.3	-73.6	174.4	-173.8	168.8	0	114	T468 L469 L470	T468-K472 VanDerWaalsContact O-CD 3.27Å; T468-K472 WeakPolarHBondContact O-CD 3.4Å; T468-K472 VanDerWaalsContact O-CG 3.29Å; T468-K472 WeakPolarHBondContact O-CG 3.46Å; L469-K472 CarbonylContact O-C 3.59Å; L469-K472 WeakPolarHBondContact O-CA 3.22Å; L469-K472 WeakPolarHBondContact O-CB 3.42Å; L469-K472 PolarHBondContact O-N 2.93Å; L470-K472 VanDerWaalsContact C-N 3.26Å; L470-K472 PolarHBondContact O-N 3.06Å
473	L	59.2	Low	58.8	Low	46 Å²	46	86.6 Å²	86.6	24%	0.241	46%	0.456	C	S	.	.	H	α-helix	trans	-90.4	-36.1	174.6	-71.6	169.6	0	0	0	111.2	I447 L469 L470 Q475 Y480	I447-L473 HydrophobicContact CD1-CD1 4.14Å; L469-L473 HydrophobicContact CD2-CD1 4.39Å; L469-L473 WeakPolarHBondContact O-CG 3.5Å; L469-L473 PolarHBondContact O-N 3.43Å; L470-L473 PolarHBondContact O-N 3.23Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 3.25Å; L473-Y480 HydrophobicContact CD1-CD2 4.4Å
474	S	54.6	Low	58.7	Low	99 Å²	99	90.1 Å²	90.1	69%	0.692	48%	0.475	S	S	*	.	H	α-helix	trans	-68.3	-30.7	172.6	61.3	0	0	0	0	112.8	L470 V471 G476	L470-S474 PolarHBondContact O-N 3.12Å; V471-S474 PolarHBondContact O-OG 3.5Å; V471-S474 VanDerWaalsContact O-OG 3.12Å; S474-G476 VanDerWaalsContact C-N 3.26Å; S474-G476 PolarHBondContact O-N 2.95Å
475	Q	49.1	Very low	58.7	Low	154 Å²	154	83.8 Å²	83.8	72%	0.72	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	8	179.4	-72.5	173.7	1.1	0	0	115.4	V471 L473	V471-Q475 WeakPolarHBondContact O-CB 3.48Å; V471-Q475 VanDerWaalsContact O-CD 3.32Å; V471-Q475 WeakPolarHBondContact O-CG 3.43Å; V471-Q475 PolarHBondContact O-N 3.3Å; L473-Q475 VanDerWaalsContact C-N 3.32Å; L473-Q475 PolarHBondContact O-N 3.25Å
476	G	49.2	Very low	58.4	Low	33 Å²	33	85 Å²	85	34%	0.34	47%	0.468	S	S	.	.	S	Bend	trans	-176.7	151.8	173.7	0	0	0	0	0	115.4	S474 K478	S474-G476 VanDerWaalsContact C-N 3.26Å; S474-G476 PolarHBondContact O-N 2.95Å; G476-K478 PolarHBondContact O-N 3.03Å
477	S	49.9	Very low	57.9	Low	135 Å²	135	83.1 Å²	83.1	94%	0.944	46%	0.458	S	S	*	.			trans	-71.6	50.7	-173.6	47.3	0	0	0	0	115.1
478	K	55.2	Low	57.3	Low	150 Å²	150	84.3 Å²	84.3	65%	0.652	47%	0.467	S	S	*	.			trans	-85.5	134.7	177.7	-67.2	174.4	-177.5	166	0	110.7	G476	G476-K478 PolarHBondContact O-N 3.03Å
479	K	53.7	Low	56.4	Low	162 Å²	162	85.4 Å²	85.4	70%	0.704	48%	0.475	S	S	*	.			trans	-72	133.2	174.9	-67.5	-165.8	175.8	-165.8	0	111.1	F481	K479-F481 HydrophobicContact CB-CZ 4.13Å
480	Y	60.9	Low	55.2	Low	30 Å²	30	90.6 Å²	90.6	12%	0.118	49%	0.491	C	S	.	.	B	Isolated β-bridge	trans	-106	148.6	176.5	178.6	-97.8	0	0	0	111.9	I447 C449 S450 M463 L465 L473 C482	I447-Y480 HydrophobicContact CB-CD1 4.42Å; I447-Y480 HydrophobicContact CG2-CD1 3.38Å; I447-Y480 HydrophobicContact CG2-CD2 4.25Å; I447-Y480 HydrophobicContact CG2-CE1 3.95Å; I447-Y480 HydrophobicContact CG2-CG 3.55Å; C449-Y480 HydrophobicContact CB-CD1 4.49Å; S450-Y480 PolarHBondContact N-O 3.25Å; M463-Y480 WeakPolarHBondContact CE-OH 3.29Å; M463-Y480 WeakPolarHBondContact CG-OH 3.27Å; L465-Y480 HydrophobicContact CD1-CE2 3.94Å; L465-Y480 HydrophobicContact CD2-CE2 4.31Å; L473-Y480 HydrophobicContact CD1-CD2 4.4Å; Y480-C482 HydrophobicContact CE1-CB 4.34Å
481	F	62.6	Low	53.8	Low	89 Å²	89	96 Å²	96	39%	0.39	52%	0.515	S	S	.	.			trans	-135.4	130.5	179.2	-53.9	-61.4	0	0	0	109.9	K451 K479	K451-F481 HydrophobicContact CB-CD1 3.99Å; K451-F481 HydrophobicContact CB-CE1 4.35Å; K451-F481 HydrophobicContact CD-CD1 3.95Å; K451-F481 HydrophobicContact CD-CE1 4.41Å; K451-F481 HydrophobicContact CG-CD1 3.86Å; K451-F481 HydrophobicContact CG-CE1 3.97Å; K479-F481 HydrophobicContact CB-CZ 4.13Å
482	C	63.2	Low	52.8	Low	3 Å²	3	99.8 Å²	99.8	2%	0.02	53%	0.528	C	S	.	.			trans	-83.2	172.5	178.8	64	0	0	0	0	112.9	C449 H456 V458 M463 Y480 H485 G486 G487	C449-C482 HydrophobicContact CB-CB 4.35Å; C449-C482 PolarHBondContact SG-N 3.1Å; C449-C482 VanDerWaalsContact SG-N 3.43Å; C449-C482 VanDerWaalsContact SG-SG 3.61Å; H456-C482 VanDerWaalsContact CE1-SG 3.56Å; H456-C482 PolarHBondContact NE2-SG 2.64Å; V458-C482 HydrophobicContact CG2-CB 4.15Å; M463-C482 HydrophobicContact CE-CB 4.03Å; M463-C482 HydrophobicContact SD-CB 4.42Å; Y480-C482 HydrophobicContact CE1-CB 4.34Å; C482-H485 CarbonylContact O-C 3.44Å; C482-H485 WeakPolarHBondContact O-CA 3.16Å; C482-H485 PolarHBondContact O-N 3.23Å; C482-H485 VanDerWaalsContact O-N 3.15Å; C482-H485 PolarHBondContact SG-ND1 3.33Å; C482-H485 VanDerWaalsContact SG-ND1 3.44Å; C482-G486 PolarHBondContact O-N 2.98Å; C482-G487 PolarHBondContact O-N 3.09Å
483	L	63	Low	51.4	Low	101 Å²	101	101.9 Å²	101.9	53%	0.529	54%	0.543	S	S	.	.	G	3₁₀ helix	trans	-67	-42.9	-178	-78	160.8	0	0	0	111.5	M463 H485 G486 G487	M463-L483 HydrophobicContact CE-CB 3.84Å; M463-L483 HydrophobicContact CE-CD1 3.57Å; M463-L483 HydrophobicContact CE-CG 3.5Å; M463-L483 VanDerWaalsContact CE-N 3.33Å; M463-L483 HydrophobicContact SD-CD1 4.39Å; L483-H485 PolarHBondContact O-N 3.41Å; L483-G486 PolarHBondContact O-N 3.15Å; L483-G487 WeakPolarHBondContact CD2-O 3.47Å
484	D	58.1	Low	50	Low	94 Å²	94	105.6 Å²	105.6	50%	0.503	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-54.2	-25.2	171.7	-65.8	25.8	0	0	0	112.4	C423	C423-D484 VanDerWaalsContact CB-OD2 3.3Å; C423-D484 WeakPolarHBondContact CB-OD2 3.42Å
485	H	62.6	Low	48.9	Very low	57 Å²	57	106.1 Å²	106.1	26%	0.264	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-102.7	14	176.8	-75.3	155.1	0	0	0	114.5	C449 K451 H456 C482 L483	C449-H485 PolarHBondContact SG-ND1 3.06Å; K451-H485 HydrophobicContact CB-CB 4.34Å; K451-H485 HydrophobicContact CD-CB 3.74Å; K451-H485 PolarHBondContact NZ-O 3.2Å; K451-H485 PolarHBondContact O-CE1 3.05Å; H456-H485 AromaticContact CE1-CE1 3.39Å; H456-H485 PolarHBondContact CE1-CE1 3.46Å; H456-H485 AromaticContact CE1-ND1 3.58Å; H456-H485 AromaticContact ND1-CE1 3.8Å; C482-H485 CarbonylContact O-C 3.44Å; C482-H485 WeakPolarHBondContact O-CA 3.16Å; C482-H485 PolarHBondContact O-N 3.23Å; C482-H485 VanDerWaalsContact O-N 3.15Å; C482-H485 PolarHBondContact SG-ND1 3.33Å; C482-H485 VanDerWaalsContact SG-ND1 3.44Å; L483-H485 PolarHBondContact O-N 3.41Å
486	G	57.3	Low	48.1	Very low	63 Å²	63	104.9 Å²	104.9	65%	0.649	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	78	24.6	174.9	0	0	0	0	0	115.1	C482 L483 L488	C482-G486 PolarHBondContact O-N 2.98Å; L483-G486 PolarHBondContact O-N 3.15Å; G486-L488 PolarHBondContact O-N 3.39Å
487	G	53.4	Low	47.1	Very low	21 Å²	21	114 Å²	114	22%	0.216	60%	0.598	C	S	.	*			trans	-69.7	105.2	173.1	0	0	0	0	0	112.2	C482 L483	C482-G487 PolarHBondContact O-N 3.09Å; L483-G487 WeakPolarHBondContact CD2-O 3.47Å
488	L	45.5	Very low	46.4	Very low	130 Å²	130	116.7 Å²	116.7	68%	0.681	60%	0.596	S	S	*	*			trans	-71	143.2	172.5	-76.2	173.1	0	0	0	111.6	G486 Y490	G486-L488 PolarHBondContact O-N 3.39Å; L488-Y490 PolarHBondContact O-N 3.34Å
489	P	44.2	Very low	45.2	Very low	116 Å²	116	115.8 Å²	115.8	75%	0.753	60%	0.596	S	S	*	*	S	Bend	trans	-69.5	95.6	167.7	29.7	-33.3	0	0	0	109.7
490	Y	38.1	Very low	44.1	Very low	182 Å²	182	113.8 Å²	113.8	71%	0.714	59%	0.592	S	S	*	*			trans	70.6	115.8	173.8	-153.9	-102.7	0	0	0	116.4	L488 E492	L488-Y490 PolarHBondContact O-N 3.34Å; Y490-E492 HydrophobicContact CE1-CG 3.62Å; Y490-E492 PolarHBondContact OH-OE1 2.95Å
491	Q	31.9	Very low	42.5	Very low	156 Å²	156	118.8 Å²	118.8	73%	0.729	63%	0.628	S	S	*	*			trans	-140.4	113.5	158.6	-158.5	170.8	39.2	0	0	109.8	M493	Q491-M493 PolarHBondContact O-N 3.26Å
492	E	36.8	Very low	40.9	Very low	144 Å²	144	118.8 Å²	118.8	67%	0.673	64%	0.635	S	S	*	*			trans	-67.5	118.6	172	-79.1	-178.7	149.2	0	0	110.4	Y490	Y490-E492 HydrophobicContact CE1-CG 3.62Å; Y490-E492 PolarHBondContact OH-OE1 2.95Å
493	M	30.5	Very low	39.4	Very low	175 Å²	175	128.8 Å²	128.8	86%	0.862	68%	0.678	S	S	*	*			trans	-92.3	106.7	163.5	-80.7	-74.6	-79.8	0	0	109	Q491	Q491-M493 PolarHBondContact O-N 3.26Å
494	T	29.2	Very low	37.8	Very low	124 Å²	124	134.7 Å²	134.7	76%	0.761	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-64.8	148.4	179.9	-18.9	0	0	0	0	110.8
495	P	32.8	Very low	36.5	Very low	109 Å²	109	137 Å²	137	71%	0.708	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-60	149.5	-177.6	-25.9	35.9	0	0	0	113.7	R497	P495-R497 PolarHBondContact O-N 3.4Å
496	P	32.5	Very low	35	Very low	129 Å²	129	140.4 Å²	140.4	84%	0.838	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-62.6	123.1	-178	24.9	-34	0	0	0	111.9	Q498	P496-Q498 PolarHBondContact O-N 3.26Å
497	R	28.2	Very low	33.7	Very low	223 Å²	223	145.2 Å²	145.2	84%	0.842	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-66.1	123	175.6	-86.9	177	160.7	-179	-2.7	111.6	P495 I499	P495-R497 PolarHBondContact O-N 3.4Å; R497-I499 HydrophobicContact CB-CD1 4.45Å; R497-I499 HydrophobicContact CB-CG1 4.44Å
498	Q	34	Very low	32.6	Very low	193 Å²	193	154.1 Å²	154.1	90%	0.902	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-88.2	142.3	154.7	-67.3	-175.4	-5.5	0	0	110.3	P496	P496-Q498 PolarHBondContact O-N 3.26Å
499	I	29.8	Very low	31.9	Very low	130 Å²	130	153.2 Å²	153.2	67%	0.667	78%	0.778	S	S	*	*			trans	-150.2	127.6	-173.5	-75.4	-179.4	0	0	0	107.6	R497	R497-I499 HydrophobicContact CB-CD1 4.45Å; R497-I499 HydrophobicContact CB-CG1 4.44Å
500	I	32.2	Very low	31.3	Very low	120 Å²	120	156.7 Å²	156.7	62%	0.615	78%	0.782	S	S	*	*			cis	-144.4	178.2	-31.2	-22.2	173.4	0	0	0	105.8	V502	I500-V502 HydrophobicContact CB-CG2 4.38Å; I500-V502 HydrophobicContact CD1-CG2 3.66Å; I500-V502 HydrophobicContact CG2-CG2 4.08Å
501	P	27.6	Very low	31	Very low	135 Å²	135	156.6 Å²	156.6	88%	0.877	79%	0.788	S	S	*	*				-128.8	153.8	98.8	3.1	18.3	0	0	0	114.2
502	V	28.1	Very low	31	Very low	89 Å²	89	160 Å²	160	54%	0.539	79%	0.794	S	S	.	*			trans	-92.9	138.1	-169.7	177.5	0	0	0	0	112.8	I500 R504	I500-V502 HydrophobicContact CB-CG2 4.38Å; I500-V502 HydrophobicContact CD1-CG2 3.66Å; I500-V502 HydrophobicContact CG2-CG2 4.08Å; V502-R504 HydrophobicContact CG1-CG 3.67Å
503	K	30.7	Very low	30.9	Very low	213 Å²	213	161.2 Å²	161.2	93%	0.926	81%	0.805	S	S	*	*			trans	-122	136	144.4	-78.9	-173.7	174.8	178.3	0	109.3
504	R	31.4	Very low	31.1	Very low	226 Å²	226	156.4 Å²	156.4	85%	0.853	80%	0.8	S	S	*	*			trans	-106.4	140.4	-175.9	-66.5	-179.7	175.3	167.5	-3.1	111.4	V502	V502-R504 HydrophobicContact CG1-CG 3.67Å
505	T	30.5	Very low	31.5	Very low	141 Å²	141	156.7 Å²	156.7	87%	0.865	80%	0.804	S	S	*	*			trans	-146.2	155.7	152.1	23.4	0	0	0	0	109
506	P	29.4	Very low	31.9	Very low	130 Å²	130	159.9 Å²	159.9	84%	0.844	81%	0.814	S	S	*	*			trans	-99.6	168.6	-146.8	-5.7	27.1	0	0	0	117.2
507	M	30.6	Very low	32	Very low	163 Å²	163	162 Å²	162	80%	0.803	82%	0.815	S	S	*	*			trans	-80.4	153.6	-178.2	-62	159.2	54.6	0	0	115.2
508	K	31	Very low	32.8	Very low	208 Å²	208	159.5 Å²	159.5	90%	0.904	82%	0.818	S	S	*	*			trans	-134.4	110.8	139.1	-67.9	-174.2	179.4	-178.4	0	106.3
509	V	30	Very low	33.1	Very low	111 Å²	111	160.2 Å²	160.2	67%	0.673	82%	0.818	S	S	*	*				82.4	113.2	64.3	172.7	0	0	0	0	112.7
510	K	32.3	Very low	34	Very low	189 Å²	189	160 Å²	160	82%	0.822	82%	0.815	S	S	*	*			trans	23.7	151.5	150.1	-57.6	-178.9	177.9	174.1	0	119.4
511	E	31.4	Very low	35.1	Very low	181 Å²	181	157.5 Å²	157.5	85%	0.846	81%	0.809	S	S	*	*			cis	-153.8	-168.4	44.5	-73.5	-179.3	142.8	0	0	110.6
512	R	32.3	Very low	36.4	Very low	228 Å²	228	156.5 Å²	156.5	86%	0.86	80%	0.802	S	S	*	*				176.6	146.3	-50.1	-163.8	178.3	-170.5	-167.1	1	105.1
513	N	35.3	Very low	37.6	Very low	169 Å²	169	156 Å²	156	90%	0.904	81%	0.808	S	S	*	*			trans	-54.8	153.9	-159.9	-47.4	3	0	0	0	118.4
514	G	34.8	Very low	38.7	Very low	73 Å²	73	152 Å²	152	75%	0.753	79%	0.79	S	S	*	*			trans	-152.8	149.2	162.3	0	0	0	0	0	112.2
515	P	37.7	Very low	39.9	Very low	130 Å²	130	148.9 Å²	148.9	84%	0.844	78%	0.783	S	S	*	*			trans	-95.6	166.8	-164.9	37	-37.2	0	0	0	116.3
516	L	39.5	Very low	40.7	Very low	177 Å²	177	146.7 Å²	146.7	93%	0.927	77%	0.773	S	S	*	*			trans	-70.9	141.9	177.7	-74.4	159.7	0	0	0	113.6
517	M	35.1	Very low	41.7	Very low	172 Å²	172	147.7 Å²	147.7	85%	0.847	76%	0.764	S	S	*	*			trans	-134.5	121.3	164.2	-76.8	-153.7	77.3	0	0	112
518	L	45.5	Very low	42.6	Very low	172 Å²	172	146.2 Å²	146.2	90%	0.901	75%	0.754	S	S	*	*			trans	-81	130.5	171.7	-82	146.4	0	0	0	111
519	K	40.1	Very low	43.6	Very low	207 Å²	207	144.2 Å²	144.2	90%	0.9	75%	0.745	S	S	*	*			trans	-100.2	112.8	174.8	-68.7	-179.1	179.7	176.6	0	110.5
520	M	49.3	Very low	44.6	Very low	125 Å²	125	149.9 Å²	149.9	62%	0.616	75%	0.754	S	S	*	*			trans	-95.3	139.5	170.2	-68	-178.6	71.6	0	0	111.3	K524	M520-K524 HydrophobicContact CE-CB 4.02Å; M520-K524 HydrophobicContact CE-CD 3.98Å
521	S	55.5	Low	45.3	Very low	69 Å²	69	145.5 Å²	145.5	48%	0.483	74%	0.74	S	S	.	*			trans	-76.3	155.1	-177.4	59.1	0	0	0	0	113.3	A523 K524	S521-A523 VanDerWaalsContact C-N 3.31Å; S521-A523 PolarHBondContact O-N 3.33Å; S521-K524 PolarHBondContact O-N 3.19Å
522	P	54.1	Low	46.3	Very low	114 Å²	114	145.7 Å²	145.7	74%	0.74	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	-35.9	-172.5	-28	36.2	0	0	0	115	K524 K525	P522-K524 VanDerWaalsContact C-N 3.28Å; P522-K524 PolarHBondContact O-N 3.01Å; P522-K525 PolarHBondContact O-N 3.29Å
523	A	52.3	Low	47	Very low	79 Å²	79	144.6 Å²	144.6	65%	0.653	75%	0.749	S	S	*	*	H	α-helix	trans	-57.4	-38.4	-179.7	0	0	0	0	0	112.9	S521 K525 S526	S521-A523 VanDerWaalsContact C-N 3.31Å; S521-A523 PolarHBondContact O-N 3.33Å; A523-K525 PolarHBondContact O-N 3.27Å; A523-S526 PolarHBondContact O-N 3.2Å
524	K	54.9	Low	47.5	Very low	129 Å²	129	143.4 Å²	143.4	56%	0.561	74%	0.742	S	S	*	*	H	α-helix	trans	-70.8	-14.8	178.7	-70.9	-166.4	174.4	-172.2	0	113.7	M520 S521 P522	M520-K524 HydrophobicContact CE-CB 4.02Å; M520-K524 HydrophobicContact CE-CD 3.98Å; S521-K524 PolarHBondContact O-N 3.19Å; P522-K524 VanDerWaalsContact C-N 3.28Å; P522-K524 PolarHBondContact O-N 3.01Å
525	K	55.7	Low	48.2	Very low	159 Å²	159	147.1 Å²	147.1	69%	0.691	74%	0.741	S	S	*	*	H	α-helix	trans	-83.2	-20.1	176.6	-67.5	-169.7	174.7	-173.2	0	114	P522 A523	P522-K525 PolarHBondContact O-N 3.29Å; A523-K525 PolarHBondContact O-N 3.27Å
526	S	48.6	Very low	48.8	Very low	95 Å²	95	148.1 Å²	148.1	66%	0.664	74%	0.735	S	S	*	*	H	α-helix	trans	-78.8	-40.2	179.6	-165.5	0	0	0	0	112.2	A523	A523-S526 PolarHBondContact O-N 3.2Å
527	F	49.8	Very low	49.3	Very low	151 Å²	151	146.4 Å²	146.4	66%	0.662	72%	0.724	S	S	*	*	H	α-helix	trans	-70.9	-41.4	-172.5	-161.6	-95.4	0	0	0	113.8	K529 L531	F527-K529 VanDerWaalsContact C-N 3.27Å; F527-K529 PolarHBondContact O-N 3.36Å; F527-L531 HydrophobicContact CD1-CD1 4.19Å; F527-L531 HydrophobicContact CE1-CD1 3.81Å
528	F	50.3	Low	50.2	Low	133 Å²	133	144.8 Å²	144.8	58%	0.583	72%	0.716	S	S	*	*	G	3₁₀ helix	trans	-71.5	-17.2	-178.9	-82.4	-81	0	0	0	114.2	R530	F528-R530 PolarHBondContact O-N 3.2Å
529	K	51.2	Low	50.5	Low	165 Å²	165	142.9 Å²	142.9	72%	0.717	70%	0.704	S	S	*	*	G	3₁₀ helix	trans	-87.3	29.6	179.2	-149	-166.4	176	-170.3	0	113.6	F527	F527-K529 VanDerWaalsContact C-N 3.27Å; F527-K529 PolarHBondContact O-N 3.36Å
530	R	52	Low	51.3	Low	230 Å²	230	138.4 Å²	138.4	87%	0.868	69%	0.69	S	S	*	*	G	3₁₀ helix	trans	-146.9	17.6	176.7	-89.7	-169.6	170.8	-177.4	-3.6	112.8	F528	F528-R530 PolarHBondContact O-N 3.2Å
531	L	46	Very low	51.4	Low	98 Å²	98	139.4 Å²	139.4	51%	0.513	70%	0.696	S	S	.	*	S	Bend	trans	-129.4	2.1	-172.9	-112	158.5	0	0	0	113.5	F527	F527-L531 HydrophobicContact CD1-CD1 4.19Å; F527-L531 HydrophobicContact CE1-CD1 3.81Å
532	F	52.5	Low	51.1	Low	184 Å²	184	145.3 Å²	145.3	81%	0.807	71%	0.714	S	S	*	*			trans	-150.1	34.1	178.4	-69.9	-72.4	0	0	0	111.7
533	D	45.9	Very low	50.8	Low	206 Å²	206	148.1 Å²	148.1	100%	1.102	71%	0.711	S	S	*	*			trans	-121.6	0	158.4	-80.2	-45.5	0	0	0	106.2

Retrieved 533 of 533 residues in 227.6 ms (Link to these results)

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