A0A146MHP7_SCHMA Loading...

protein-serine/threonine phosphatase

AlphaFold DB , UniProt , Accession A0A146MHP7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.4	Low	84.9	Confident	185 Å²	185	85.6 Å²	85.6	91%	0.911	52%	0.52	S	S	*	.				0	131.8	0	-72.6	179.8	-147.6	0	0	106.7
2	G	65.5	Low	86	Confident	35 Å²	35	83.9 Å²	83.9	36%	0.361	50%	0.5	S	S	.	.			trans	-72.6	177.4	169.8	0	0	0	0	0	111.3	R33	G2-R33 VanDerWaalsContact CA-NH1 3.31Å
3	Q	75.9	Confident	87	Confident	148 Å²	148	85.2 Å²	85.2	69%	0.692	50%	0.498	S	S	*	.			trans	-70.6	138.6	177	-64.9	175.5	-11.2	0	0	110.3	V34	Q3-V34 HydrophobicContact CB-CB 4.5Å; Q3-V34 HydrophobicContact CB-CG1 3.71Å; Q3-V34 HydrophobicContact CB-CG2 3.94Å; Q3-V34 PolarHBondContact O-N 2.99Å
4	S	83.3	Confident	87.8	Confident	63 Å²	63	82.2 Å²	82.2	44%	0.441	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	149.6	176.9	-56	0	0	0	0	111.6	W32	S4-W32 CarbonylContact C-O 3.56Å; S4-W32 VanDerWaalsContact CA-O 3.25Å; S4-W32 WeakPolarHBondContact CA-O 3.17Å
5	L	89.3	Confident	88.5	Confident	57 Å²	57	82.7 Å²	82.7	30%	0.298	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	163.3	173.5	-65	171.7	0	0	0	111.7	A7 V9 W32 R33 V34	L5-A7 VanDerWaalsContact C-N 3.27Å; L5-A7 WeakPolarHBondContact CB-O 3.2Å; L5-A7 PolarHBondContact O-N 3.03Å; L5-V9 HydrophobicContact CD1-CG2 3.73Å; L5-W32 PolarHBondContact N-O 2.95Å; L5-R33 VanDerWaalsContact CD1-O 3.24Å; L5-R33 WeakPolarHBondContact CD1-O 3.48Å; L5-V34 HydrophobicContact CD2-CB 4.46Å; L5-V34 HydrophobicContact CD2-CG1 4Å; L5-V34 HydrophobicContact CG-CG1 4.37Å
6	C	88.1	Confident	89.2	Confident	140 Å²	140	82.4 Å²	82.4	95%	0.946	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	-20	171.4	-60.1	0	0	0	0	113.4
7	A	92	Very high	89.7	Confident	62 Å²	62	82.9 Å²	82.9	51%	0.512	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	149.7	175.2	0	0	0	0	0	109.3	L5	L5-A7 VanDerWaalsContact C-N 3.27Å; L5-A7 WeakPolarHBondContact CB-O 3.2Å; L5-A7 PolarHBondContact O-N 3.03Å
8	P	94.7	Very high	90.2	Very high	34 Å²	34	85.2 Å²	85.2	22%	0.221	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	146	-177.8	30.8	-32.2	0	0	0	111.5	L10 G31 W32 L312	P8-L10 HydrophobicContact CB-CD2 3.89Å; P8-L10 HydrophobicContact CG-CD2 3.73Å; P8-L10 HydrophobicContact CG-CG 4.27Å; P8-L10 PolarHBondContact O-N 3.06Å; P8-G31 CarbonylContact C-O 3.48Å; P8-G31 VanDerWaalsContact CA-O 3.26Å; P8-G31 WeakPolarHBondContact CA-O 3.47Å; P8-W32 HydrophobicContact CB-CD2 3.78Å; P8-W32 HydrophobicContact CB-CE3 4.36Å; P8-W32 HydrophobicContact CB-CG 3.94Å; P8-W32 HydrophobicContact CB-CZ2 4.34Å; P8-W32 HydrophobicContact CG-CD2 4.18Å; P8-W32 HydrophobicContact CG-CH2 4.34Å; P8-W32 HydrophobicContact CG-CZ2 3.83Å; P8-L312 HydrophobicContact CB-CD1 4.24Å
9	V	97	Very high	90.5	Very high	48 Å²	48	82.8 Å²	82.8	29%	0.291	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	105.8	168.3	176.5	0	0	0	0	108.5	L5 S11 M29 Q30 G31	L5-V9 HydrophobicContact CD1-CG2 3.73Å; V9-S11 WeakPolarHBondContact CG1-OG 3.25Å; V9-M29 WeakPolarHBondContact O-CG 3.5Å; V9-Q30 HydrophobicContact CB-CB 4.02Å; V9-Q30 HydrophobicContact CB-CG 4.32Å; V9-Q30 HydrophobicContact CG1-CB 4.18Å; V9-G31 PolarHBondContact N-O 3.39Å; V9-G31 PolarHBondContact O-N 2.86Å; V9-G31 VanDerWaalsContact O-N 3.16Å
10	L	97.2	Very high	90.8	Very high	82 Å²	82	85.7 Å²	85.7	43%	0.429	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-8	-172.7	-57.8	-176.4	0	0	0	114.8	P8 K12 M29 L312	P8-L10 HydrophobicContact CB-CD2 3.89Å; P8-L10 HydrophobicContact CG-CD2 3.73Å; P8-L10 HydrophobicContact CG-CG 4.27Å; P8-L10 PolarHBondContact O-N 3.06Å; L10-K12 PolarHBondContact O-N 2.95Å; L10-K12 PolarHBondContact O-NZ 3.35Å; L10-M29 HydrophobicContact CD2-SD 4.38Å; L10-L312 HydrophobicContact CD2-CD2 3.27Å
11	S	97.9	Very high	91.1	Very high	88 Å²	88	84.7 Å²	84.7	62%	0.615	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.3	133.5	175.7	53.4	0	0	0	0	109.7	V9	V9-S11 WeakPolarHBondContact CG1-OG 3.25Å
12	K	98.3	Very high	93.3	Very high	65 Å²	65	76.8 Å²	76.8	28%	0.283	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	140	-178.4	-61.6	169.2	-170.4	62.3	0	109.5	L10 S28 M29 E305 M308 M309	L10-K12 PolarHBondContact O-N 2.95Å; L10-K12 PolarHBondContact O-NZ 3.35Å; K12-S28 VanDerWaalsContact CA-O 3.23Å; K12-S28 WeakPolarHBondContact CA-O 3.24Å; K12-M29 HydrophobicContact CG-CB 4.25Å; K12-M29 HydrophobicContact CG-CG 4.37Å; K12-M29 HydrophobicContact CG-SD 4.35Å; K12-E305 HydrophobicContact CD-CB 3.76Å; K12-E305 HydrophobicContact CD-CG 3.66Å; K12-M308 HydrophobicContact CB-CE 4.35Å; K12-M308 HydrophobicContact CD-CE 3.77Å; K12-M308 HydrophobicContact CG-CE 3.8Å; K12-M309 VanDerWaalsContact CE-SD 3.55Å; K12-M309 PolarHBondContact NZ-SD 3.47Å
13	E	98.4	Very high	94.8	Very high	101 Å²	101	75.5 Å²	75.5	47%	0.472	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	112.4	162.5	-172.4	-179.8	168.9	0	0	107.7	K15 S27 S28	E13-K15 WeakPolarHBondContact OE1-CE 3.32Å; E13-K15 IonicContact OE1-NZ 2.82Å; E13-K15 PolarHBondContact OE1-NZ 2.58Å; E13-S27 VanDerWaalsContact O-CA 3.31Å; E13-S27 WeakPolarHBondContact O-CA 3.46Å; E13-S28 PolarHBondContact N-O 3Å; E13-S28 PolarHBondContact O-N 2.95Å
14	T	98.7	Very high	95.9	Very high	43 Å²	43	68.5 Å²	68.5	26%	0.264	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.2	-175.2	-50.3	0	0	0	0	109.9	V26 S27 E305	T14-V26 VanDerWaalsContact CA-O 3.31Å; T14-V26 WeakPolarHBondContact CA-O 3.41Å; T14-V26 WeakPolarHBondContact CG2-O 3.39Å; T14-S27 PolarHBondContact OG1-OG 3.05Å; T14-E305 HydrophobicContact CG2-CG 4.44Å; T14-E305 PolarHBondContact OG1-OE1 3.46Å
15	K	98.6	Very high	96.7	Very high	90 Å²	90	65.5 Å²	65.5	39%	0.391	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	152.7	176.1	-65.2	174.7	-171.6	155.4	0	109.3	E13 W17 A25 V26	E13-K15 WeakPolarHBondContact OE1-CE 3.32Å; E13-K15 IonicContact OE1-NZ 2.82Å; E13-K15 PolarHBondContact OE1-NZ 2.58Å; K15-W17 HydrophobicContact CB-CH2 3.4Å; K15-W17 VanDerWaalsContact CB-CH2 3.4Å; K15-W17 HydrophobicContact CB-CZ2 3.61Å; K15-W17 HydrophobicContact CB-CZ3 3.99Å; K15-W17 HydrophobicContact CD-CH2 4.09Å; K15-W17 HydrophobicContact CD-CZ2 3.91Å; K15-W17 HydrophobicContact CG-CH2 4.38Å; K15-W17 HydrophobicContact CG-CZ2 4.36Å; K15-A25 CarbonylContact O-C 3.51Å; K15-A25 VanDerWaalsContact O-CA 3.3Å; K15-A25 WeakPolarHBondContact O-CA 3.43Å; K15-V26 HydrophobicContact CB-CG1 3.99Å; K15-V26 PolarHBondContact N-O 3.31Å; K15-V26 PolarHBondContact O-N 3.09Å
16	S	98.5	Very high	97.1	Very high	77 Å²	77	62.9 Å²	62.9	54%	0.538	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	146.1	176.6	58	0	0	0	0	111.4	V24	S16-V24 CarbonylContact C-O 3.6Å; S16-V24 WeakPolarHBondContact CA-O 3.37Å; S16-V24 WeakPolarHBondContact CB-O 3.44Å
17	W	98.3	Very high	97.6	Very high	91 Å²	91	56.2 Å²	56.2	35%	0.345	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	153.1	179.4	-52.8	-93.4	0	0	0	109.3	K15 V24 V26 C42 L44	K15-W17 HydrophobicContact CB-CH2 3.4Å; K15-W17 VanDerWaalsContact CB-CH2 3.4Å; K15-W17 HydrophobicContact CB-CZ2 3.61Å; K15-W17 HydrophobicContact CB-CZ3 3.99Å; K15-W17 HydrophobicContact CD-CH2 4.09Å; K15-W17 HydrophobicContact CD-CZ2 3.91Å; K15-W17 HydrophobicContact CG-CH2 4.38Å; K15-W17 HydrophobicContact CG-CZ2 4.36Å; W17-V24 HydrophobicContact CE3-CG1 4.38Å; W17-V24 PolarHBondContact N-O 2.95Å; W17-V24 PolarHBondContact O-N 3.37Å; W17-V26 HydrophobicContact CH2-CG1 3.6Å; W17-V26 HydrophobicContact CZ3-CB 4.37Å; W17-V26 HydrophobicContact CZ3-CG1 3.6Å; W17-C42 HydrophobicContact CE3-CB 3.94Å; W17-C42 HydrophobicContact CH2-CB 3.86Å; W17-C42 HydrophobicContact CZ3-CB 3.47Å; W17-C42 VanDerWaalsContact CZ3-CB 3.47Å; W17-L44 HydrophobicContact CB-CD1 3.71Å; W17-L44 HydrophobicContact CB-CD2 4.32Å; W17-L44 HydrophobicContact CB-CG 3.99Å
18	Q	98	Very high	97.9	Very high	125 Å²	125	53.6 Å²	53.6	58%	0.584	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.5	140.9	175.2	-176.2	172.4	-51.1	0	0	110.9	Y22 S23 L334	Q18-Y22 VanDerWaalsContact CA-O 3.31Å; Q18-Y22 WeakPolarHBondContact CA-O 3.33Å; Q18-S23 PolarHBondContact OE1-OG 2.73Å; Q18-L334 HydrophobicContact CG-CD1 4.17Å
19	N	97.2	Very high	98.1	Very high	39 Å²	39	52.1 Å²	52.1	21%	0.209	27%	0.268	C	S	.	.			trans	-132.5	-165.2	164	70.3	5.6	0	0	0	109.3	N21 Y22 L44	N19-N21 VanDerWaalsContact C-N 3.27Å; N19-N21 PolarHBondContact O-N 3.37Å; N19-N21 PolarHBondContact OD1-N 3.14Å; N19-Y22 PolarHBondContact N-O 2.95Å; N19-Y22 PolarHBondContact OD1-N 3.4Å; N19-Y22 PolarHBondContact OD1-O 3.24Å; N19-L44 HydrophobicContact CB-CD1 3.97Å
20	E	96.3	Very high	98.2	Very high	140 Å²	140	51.8 Å²	51.8	65%	0.654	26%	0.264	S	S	*	.	S	Bend	trans	-64.4	-29.1	178.8	177.1	173.3	-171.8	0	0	113.4	G336	E20-G336 WeakPolarHBondContact O-CA 3.5Å; E20-G336 PolarHBondContact O-N 3.49Å
21	N	97.3	Very high	98.1	Very high	65 Å²	65	47.9 Å²	47.9	35%	0.348	24%	0.243	S	C	.	.	S	Bend	trans	-99.6	-28.1	-172.4	-69	-50.3	0	0	0	113.6	N19 L334 Q335	N19-N21 VanDerWaalsContact C-N 3.27Å; N19-N21 PolarHBondContact O-N 3.37Å; N19-N21 PolarHBondContact OD1-N 3.14Å; N21-L334 WeakPolarHBondContact O-CA 3.28Å; N21-L334 WeakPolarHBondContact O-CB 3.47Å; N21-L334 PolarHBondContact O-N 3.26Å; N21-Q335 PolarHBondContact O-N 2.64Å
22	Y	98.1	Very high	98	Very high	20 Å²	20	44.5 Å²	44.5	8%	0.078	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	141.9	-171	-45.7	-63.9	0	0	0	111.9	Q18 N19 A53 L170 V331 C332 L333	Q18-Y22 VanDerWaalsContact CA-O 3.31Å; Q18-Y22 WeakPolarHBondContact CA-O 3.33Å; N19-Y22 PolarHBondContact N-O 2.95Å; N19-Y22 PolarHBondContact OD1-N 3.4Å; N19-Y22 PolarHBondContact OD1-O 3.24Å; Y22-A53 HydrophobicContact CD2-CB 4Å; Y22-A53 HydrophobicContact CE2-CB 3.53Å; Y22-L170 HydrophobicContact CD1-CD1 4.13Å; Y22-L170 HydrophobicContact CE1-CD1 3.47Å; Y22-L170 VanDerWaalsContact CE1-CD1 3.47Å; Y22-V331 HydrophobicContact CD1-CG1 4.37Å; Y22-C332 WeakPolarHBondContact CA-O 3.42Å; Y22-L333 HydrophobicContact CD1-CD2 4.17Å; Y22-L333 HydrophobicContact CE1-CD2 4.11Å
23	S	98.4	Very high	97.8	Very high	8 Å²	8	43.9 Å²	43.9	6%	0.056	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.2	159.6	-173.1	0	0	0	0	107.1	Q18 C332	Q18-S23 PolarHBondContact OE1-OG 2.73Å; S23-C332 PolarHBondContact N-O 2.91Å; S23-C332 VanDerWaalsContact N-O 3.11Å; S23-C332 WeakPolarHBondContact O-CA 3.37Å; S23-C332 WeakPolarHBondContact O-CB 3.46Å; S23-C332 PolarHBondContact O-N 3.28Å
24	V	98.8	Very high	97.7	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.6	-168.3	-176.9	0	0	0	0	108.8	S16 W17 C42 L44 F55 V329 L330 V331	S16-V24 CarbonylContact C-O 3.6Å; S16-V24 WeakPolarHBondContact CA-O 3.37Å; S16-V24 WeakPolarHBondContact CB-O 3.44Å; W17-V24 HydrophobicContact CE3-CG1 4.38Å; W17-V24 PolarHBondContact N-O 2.95Å; W17-V24 PolarHBondContact O-N 3.37Å; V24-C42 HydrophobicContact CG1-CB 4.47Å; V24-L44 HydrophobicContact CB-CD2 4.09Å; V24-L44 HydrophobicContact CG2-CD2 3.51Å; V24-F55 HydrophobicContact CB-CE1 4.23Å; V24-F55 HydrophobicContact CG1-CD1 3.96Å; V24-F55 HydrophobicContact CG1-CE1 3.8Å; V24-F55 HydrophobicContact CG2-CD1 4.48Å; V24-F55 HydrophobicContact CG2-CE1 3.6Å; V24-F55 HydrophobicContact CG2-CZ 3.78Å; V24-V329 HydrophobicContact CG1-CG1 4.36Å; V24-L330 VanDerWaalsContact CA-O 3.29Å; V24-L330 WeakPolarHBondContact CA-O 3.26Å; V24-V331 HydrophobicContact CG1-CG2 4.24Å; V24-V331 HydrophobicContact CG2-CB 4.45Å; V24-V331 HydrophobicContact CG2-CG1 4.07Å; V24-V331 HydrophobicContact CG2-CG2 4.42Å
25	A	98.9	Very high	97.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147	167	0	0	0	0	0	110.8	K15 P300 S301 V329 L330	K15-A25 CarbonylContact O-C 3.51Å; K15-A25 VanDerWaalsContact O-CA 3.3Å; K15-A25 WeakPolarHBondContact O-CA 3.43Å; A25-P300 HydrophobicContact CB-CB 3.76Å; A25-S301 VanDerWaalsContact CB-CA 3.44Å; A25-V329 WeakPolarHBondContact O-CA 3.33Å; A25-L330 PolarHBondContact N-O 2.67Å; A25-L330 PolarHBondContact O-N 2.91Å
26	V	98.9	Very high	97.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	141.7	167.9	64	0	0	0	0	108.7	T14 K15 W17 H40 T327 V328 V329	T14-V26 VanDerWaalsContact CA-O 3.31Å; T14-V26 WeakPolarHBondContact CA-O 3.41Å; T14-V26 WeakPolarHBondContact CG2-O 3.39Å; K15-V26 HydrophobicContact CB-CG1 3.99Å; K15-V26 PolarHBondContact N-O 3.31Å; K15-V26 PolarHBondContact O-N 3.09Å; W17-V26 HydrophobicContact CH2-CG1 3.6Å; W17-V26 HydrophobicContact CZ3-CB 4.37Å; W17-V26 HydrophobicContact CZ3-CG1 3.6Å; V26-H40 WeakPolarHBondContact CG1-NE2 3.46Å; V26-H40 HydrophobicContact CG2-CB 4.3Å; V26-T327 HydrophobicContact CG2-CG2 4.39Å; V26-V328 CarbonylContact C-O 3.59Å; V26-V328 VanDerWaalsContact CA-O 3.25Å; V26-V328 WeakPolarHBondContact CA-O 3.39Å; V26-V328 WeakPolarHBondContact CG2-O 3.3Å; V26-V329 HydrophobicContact CB-CG2 4.08Å; V26-V329 HydrophobicContact CG2-CG2 3.61Å
27	S	98.9	Very high	97.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	139.6	167	-159.8	0	0	0	0	109.5	E13 T14 M308 V328	E13-S27 VanDerWaalsContact O-CA 3.31Å; E13-S27 WeakPolarHBondContact O-CA 3.46Å; T14-S27 PolarHBondContact OG1-OG 3.05Å; S27-M308 VanDerWaalsContact CB-CE 3.49Å; S27-M308 WeakPolarHBondContact OG-CE 3.45Å; S27-V328 PolarHBondContact N-O 3.42Å; S27-V328 PolarHBondContact O-N 3.23Å
28	S	98.7	Very high	97.5	Very high	8 Å²	8	36.6 Å²	36.6	6%	0.056	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.4	174.3	66.1	0	0	0	0	112.1	K12 E13 M36 M326	K12-S28 VanDerWaalsContact CA-O 3.23Å; K12-S28 WeakPolarHBondContact CA-O 3.24Å; E13-S28 PolarHBondContact N-O 3Å; E13-S28 PolarHBondContact O-N 2.95Å; S28-M36 VanDerWaalsContact CB-CE 3.48Å; S28-M326 CarbonylContact C-O 3.55Å; S28-M326 WeakPolarHBondContact CA-O 3.5Å
29	M	98.5	Very high	97.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	128	-177.7	-174.1	177.2	68.8	0	0	109.4	V9 L10 K12 G31 M308 M309 L312 M326	V9-M29 WeakPolarHBondContact O-CG 3.5Å; L10-M29 HydrophobicContact CD2-SD 4.38Å; K12-M29 HydrophobicContact CG-CB 4.25Å; K12-M29 HydrophobicContact CG-CG 4.37Å; K12-M29 HydrophobicContact CG-SD 4.35Å; M29-G31 VanDerWaalsContact C-N 3.29Å; M29-G31 PolarHBondContact O-N 3.23Å; M29-M308 HydrophobicContact CB-CE 3.92Å; M29-M308 HydrophobicContact CB-SD 3.82Å; M29-M308 HydrophobicContact CE-CB 4.13Å; M29-M309 HydrophobicContact CE-SD 4.49Å; M29-M309 HydrophobicContact SD-SD 3.96Å; M29-L312 HydrophobicContact CE-CB 4.23Å; M29-L312 HydrophobicContact CE-CD1 3.91Å; M29-L312 HydrophobicContact CE-CD2 4.31Å; M29-L312 HydrophobicContact CE-CG 4.37Å; M29-M326 HydrophobicContact CE-SD 3.8Å; M29-M326 PolarHBondContact N-O 3.03Å; M29-M326 PolarHBondContact O-N 3.25Å
30	Q	98	Very high	97.6	Very high	41 Å²	41	30.7 Å²	30.7	19%	0.192	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	-33.9	-179.1	176	174.9	-37.6	0	0	112.5	V9 W32 R33 V34 M36 N325	V9-Q30 HydrophobicContact CB-CB 4.02Å; V9-Q30 HydrophobicContact CB-CG 4.32Å; V9-Q30 HydrophobicContact CG1-CB 4.18Å; Q30-W32 PolarHBondContact O-N 3.34Å; Q30-R33 WeakPolarHBondContact CG-O 3.41Å; Q30-R33 PolarHBondContact NE2-O 3.07Å; Q30-V34 PolarHBondContact NE2-O 3.35Å; Q30-M36 HydrophobicContact CB-CB 4.14Å; Q30-M36 HydrophobicContact CB-SD 4.29Å; Q30-M36 HydrophobicContact CG-CB 4.25Å; Q30-N325 PolarHBondContact O-ND2 3.11Å
31	G	96.4	Very high	97.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.4	-135.1	178.7	0	0	0	0	0	111.3	P8 V9 M29	P8-G31 CarbonylContact C-O 3.48Å; P8-G31 VanDerWaalsContact CA-O 3.26Å; P8-G31 WeakPolarHBondContact CA-O 3.47Å; V9-G31 PolarHBondContact N-O 3.39Å; V9-G31 PolarHBondContact O-N 2.86Å; V9-G31 VanDerWaalsContact O-N 3.16Å; M29-G31 VanDerWaalsContact C-N 3.29Å; M29-G31 PolarHBondContact O-N 3.23Å
32	W	95.4	Very high	97.7	Very high	18 Å²	18	23.6 Å²	23.6	7%	0.068	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-9.5	-173.1	-68.6	91.7	0	0	0	114.4	S4 L5 P8 Q30 A313 C323	S4-W32 CarbonylContact C-O 3.56Å; S4-W32 VanDerWaalsContact CA-O 3.25Å; S4-W32 WeakPolarHBondContact CA-O 3.17Å; L5-W32 PolarHBondContact N-O 2.95Å; P8-W32 HydrophobicContact CB-CD2 3.78Å; P8-W32 HydrophobicContact CB-CE3 4.36Å; P8-W32 HydrophobicContact CB-CG 3.94Å; P8-W32 HydrophobicContact CB-CZ2 4.34Å; P8-W32 HydrophobicContact CG-CD2 4.18Å; P8-W32 HydrophobicContact CG-CH2 4.34Å; P8-W32 HydrophobicContact CG-CZ2 3.83Å; Q30-W32 PolarHBondContact O-N 3.34Å; W32-A313 PolarHBondContact NE1-O 3.03Å; W32-C323 HydrophobicContact CB-CB 4Å; W32-C323 WeakPolarHBondContact CB-O 3.49Å; W32-C323 HydrophobicContact CG-CB 4.33Å
33	R	94.6	Very high	97.8	Very high	51 Å²	51	24.3 Å²	24.3	19%	0.192	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	152	178.4	-61.4	-56.4	-164.6	110.4	-0.5	111.6	G2 L5 Q30 H35 D324 N325	G2-R33 VanDerWaalsContact CA-NH1 3.31Å; L5-R33 VanDerWaalsContact CD1-O 3.24Å; L5-R33 WeakPolarHBondContact CD1-O 3.48Å; Q30-R33 WeakPolarHBondContact CG-O 3.41Å; Q30-R33 PolarHBondContact NE2-O 3.07Å; R33-H35 VanDerWaalsContact C-N 3.25Å; R33-H35 WeakPolarHBondContact CB-O 3.44Å; R33-H35 PolarHBondContact O-N 3.5Å; R33-D324 WeakPolarHBondContact CG-OD1 3.3Å; R33-D324 IonicContact CZ-OD1 3.67Å; R33-D324 IonicContact CZ-OD2 3.88Å; R33-D324 IonicContact NE-OD1 2.67Å; R33-D324 PolarHBondContact NE-OD1 3.39Å; R33-D324 IonicContact NE-OD2 3.59Å; R33-D324 VanDerWaalsContact NH2-CG 3.31Å; R33-D324 IonicContact NH2-OD1 3.32Å; R33-D324 PolarHBondContact NH2-OD1 3.04Å; R33-D324 VanDerWaalsContact NH2-OD1 3.17Å; R33-D324 IonicContact NH2-OD2 3.9Å; R33-D324 PolarHBondContact NH2-OD2 2.85Å; R33-N325 WeakPolarHBondContact CB-ND2 3.23Å
34	V	94.5	Very high	97.8	Very high	42 Å²	42	25.4 Å²	25.4	26%	0.255	13%	0.125	S	C	.	.	S	Bend	trans	-65.9	-26.4	176	-69.2	0	0	0	0	113.8	Q3 L5 Q30	Q3-V34 HydrophobicContact CB-CB 4.5Å; Q3-V34 HydrophobicContact CB-CG1 3.71Å; Q3-V34 HydrophobicContact CB-CG2 3.94Å; Q3-V34 PolarHBondContact O-N 2.99Å; L5-V34 HydrophobicContact CD2-CB 4.46Å; L5-V34 HydrophobicContact CD2-CG1 4Å; L5-V34 HydrophobicContact CG-CG1 4.37Å; Q30-V34 PolarHBondContact NE2-O 3.35Å
35	H	96	Very high	97.7	Very high	117 Å²	117	30.6 Å²	30.6	54%	0.542	15%	0.149	S	C	.	.	S	Bend	trans	-133.1	155.1	-179.9	-62	-44.2	0	0	0	110.5	R33 E37 N325	R33-H35 VanDerWaalsContact C-N 3.25Å; R33-H35 WeakPolarHBondContact CB-O 3.44Å; R33-H35 PolarHBondContact O-N 3.5Å; H35-E37 HydrophobicContact CB-CG 4.05Å; H35-N325 PolarHBondContact O-ND2 2.99Å; H35-N325 PolarHBondContact O-OD1 3.03Å
36	M	97.7	Very high	97.7	Very high	51 Å²	51	30.8 Å²	30.8	25%	0.251	15%	0.15	S	C	.	.			trans	-93.8	104.9	165.8	-178.3	62.6	-180	0	0	108	S28 Q30 D38 T64 N325	S28-M36 VanDerWaalsContact CB-CE 3.48Å; Q30-M36 HydrophobicContact CB-CB 4.14Å; Q30-M36 HydrophobicContact CB-SD 4.29Å; Q30-M36 HydrophobicContact CG-CB 4.25Å; M36-D38 HydrophobicContact CE-CB 3.65Å; M36-D38 HydrophobicContact SD-CB 4.47Å; M36-T64 WeakPolarHBondContact O-CG2 3.49Å; M36-N325 WeakPolarHBondContact CA-OD1 3.41Å; M36-N325 HydrophobicContact SD-CB 3.97Å
37	E	97.6	Very high	97.5	Very high	28 Å²	28	34.6 Å²	34.6	13%	0.131	18%	0.175	C	C	.	.			trans	-103.3	-16.3	-176.8	-60.6	-177.4	101	0	0	112.9	H35 G60 G62 G63 T64 A67 N325	H35-E37 HydrophobicContact CB-CG 4.05Å; E37-G60 VanDerWaalsContact CB-O 3.23Å; E37-G60 WeakPolarHBondContact CB-O 3.37Å; E37-G62 PolarHBondContact OE1-N 2.72Å; E37-G62 VanDerWaalsContact OE1-N 3.14Å; E37-G63 WeakPolarHBondContact OE1-CA 3.38Å; E37-G63 PolarHBondContact OE1-N 3.49Å; E37-T64 HydrophobicContact CG-CG2 4.28Å; E37-A67 WeakPolarHBondContact O-CB 3.4Å; E37-N325 PolarHBondContact N-OD1 2.85Å
38	D	98.7	Very high	97.2	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.064	21%	0.214	C	C	.	.			trans	-64.4	148.8	173.7	-58.9	-0	0	0	0	112.7	M36 F58 C274 N325 T327	M36-D38 HydrophobicContact CE-CB 3.65Å; M36-D38 HydrophobicContact SD-CB 4.47Å; D38-F58 CarbonylContact C-O 3.52Å; D38-F58 WeakPolarHBondContact CA-O 3.16Å; D38-C274 PolarHBondContact OD2-SG 3.34Å; D38-N325 WeakPolarHBondContact OD1-CB 3.34Å; D38-T327 VanDerWaalsContact CB-OG1 3.25Å; D38-T327 WeakPolarHBondContact CB-OG1 3.36Å; D38-T327 WeakPolarHBondContact OD2-CB 3.49Å; D38-T327 PolarHBondContact OD2-OG1 3.08Å
39	A	98.8	Very high	97.1	Very high	5 Å²	5	39 Å²	39	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	165.1	166	0	0	0	0	0	110.6	F58 A67	A39-F58 HydrophobicContact CB-CB 4.41Å; A39-F58 PolarHBondContact N-O 3.16Å; A39-F58 PolarHBondContact O-N 2.7Å; A39-A67 HydrophobicContact CB-CB 4.08Å
40	H	98.8	Very high	96.9	Very high	34 Å²	34	43.2 Å²	43.2	16%	0.157	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	164.4	177.4	59.4	-94.3	0	0	0	110.4	V26 S56 S71 T327 V329	V26-H40 WeakPolarHBondContact CG1-NE2 3.46Å; V26-H40 HydrophobicContact CG2-CB 4.3Å; H40-S56 WeakPolarHBondContact CA-O 3.3Å; H40-S56 VanDerWaalsContact CB-O 3.24Å; H40-S56 WeakPolarHBondContact CB-O 3.18Å; H40-S71 PolarHBondContact O-OG 3.01Å; H40-T327 HydrophobicContact CB-CG2 4.19Å; H40-V329 HydrophobicContact CB-CG2 4.39Å
41	M	98.6	Very high	96.8	Very high	43 Å²	43	48.2 Å²	48.2	21%	0.212	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139	169.3	-178.4	57.7	69.6	0	0	109.5	L43 Y54 F55 S56 S71	M41-L43 HydrophobicContact CG-CD1 4.07Å; M41-L43 HydrophobicContact CG-CG 3.94Å; M41-L43 HydrophobicContact SD-CD1 4.39Å; M41-L43 HydrophobicContact SD-CD2 3.95Å; M41-L43 HydrophobicContact SD-CG 4Å; M41-Y54 HydrophobicContact CB-CE1 4.08Å; M41-Y54 HydrophobicContact CG-CD1 4.19Å; M41-Y54 HydrophobicContact CG-CE1 4.13Å; M41-F55 CarbonylContact O-C 3.55Å; M41-F55 WeakPolarHBondContact O-CA 3.21Å; M41-S56 WeakPolarHBondContact CB-OG 3.39Å; M41-S56 PolarHBondContact N-O 3.13Å; M41-S56 VanDerWaalsContact N-O 3.09Å; M41-S56 PolarHBondContact N-OG 3.3Å; M41-S56 PolarHBondContact O-N 3.33Å; M41-S71 WeakPolarHBondContact CE-O 3.31Å
42	C	98.7	Very high	96.9	Very high	13 Å²	13	48.2 Å²	48.2	9%	0.088	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	111.5	179.3	-71.1	0	0	0	0	108.9	W17 V24 F55	W17-C42 HydrophobicContact CE3-CB 3.94Å; W17-C42 HydrophobicContact CH2-CB 3.86Å; W17-C42 HydrophobicContact CZ3-CB 3.47Å; W17-C42 VanDerWaalsContact CZ3-CB 3.47Å; V24-C42 HydrophobicContact CG1-CB 4.47Å; C42-F55 HydrophobicContact CB-CD1 4.16Å
43	L	98.5	Very high	97	Very high	36 Å²	36	47.4 Å²	47.4	19%	0.188	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	114.3	-179.4	-60.7	173.6	0	0	0	107.8	M41 E45 L46 A53 Y54 H75	M41-L43 HydrophobicContact CG-CD1 4.07Å; M41-L43 HydrophobicContact CG-CG 3.94Å; M41-L43 HydrophobicContact SD-CD1 4.39Å; M41-L43 HydrophobicContact SD-CD2 3.95Å; M41-L43 HydrophobicContact SD-CG 4Å; L43-E45 PolarHBondContact O-N 2.85Å; L43-L46 HydrophobicContact CD1-CD2 3.84Å; L43-A53 CarbonylContact O-C 3.5Å; L43-A53 WeakPolarHBondContact O-CA 3.47Å; L43-Y54 HydrophobicContact CD1-CD1 4.41Å; L43-Y54 PolarHBondContact N-O 2.85Å; L43-Y54 PolarHBondContact O-N 3.19Å; L43-H75 HydrophobicContact CD1-CB 4.28Å; L43-H75 WeakPolarHBondContact CD1-CD2 3.49Å
44	L	98.5	Very high	97.2	Very high	31 Å²	31	45 Å²	45	16%	0.162	25%	0.253	C	S	.	.	S	Bend	trans	-69.5	-22.2	174.2	-60.7	-169	0	0	0	112.1	W17 N19 V24 A53 F55	W17-L44 HydrophobicContact CB-CD1 3.71Å; W17-L44 HydrophobicContact CB-CD2 4.32Å; W17-L44 HydrophobicContact CB-CG 3.99Å; N19-L44 HydrophobicContact CB-CD1 3.97Å; V24-L44 HydrophobicContact CB-CD2 4.09Å; V24-L44 HydrophobicContact CG2-CD2 3.51Å; L44-A53 WeakPolarHBondContact O-CB 3.42Å; L44-F55 HydrophobicContact CD2-CE1 4.05Å; L44-F55 HydrophobicContact CD2-CZ 4.14Å
45	E	98.1	Very high	97.4	Very high	109 Å²	109	43 Å²	43	51%	0.509	24%	0.241	S	C	.	.	S	Bend	trans	-143.4	132	177.3	-66.9	178.7	-162	0	0	108.1	L43 A52	L43-E45 PolarHBondContact O-N 2.85Å; E45-A52 CarbonylContact C-O 3.54Å; E45-A52 VanDerWaalsContact CA-O 3.24Å; E45-A52 WeakPolarHBondContact CA-O 3.35Å
46	L	97.8	Very high	97.6	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-76.8	138	175.8	-81.3	178.7	0	0	0	110.5	L43 G48 D49 A52 Y54 H75 I79 L169	L43-L46 HydrophobicContact CD1-CD2 3.84Å; L46-G48 PolarHBondContact O-N 3.24Å; L46-G48 VanDerWaalsContact O-N 3.1Å; L46-D49 HydrophobicContact CB-CB 4.47Å; L46-D49 PolarHBondContact N-O 3.26Å; L46-D49 CarbonylContact O-C 3.58Å; L46-D49 VanDerWaalsContact O-C 3.26Å; L46-D49 PolarHBondContact O-N 3.09Å; L46-A52 HydrophobicContact CB-CB 4.3Å; L46-A52 HydrophobicContact CD1-CB 3.72Å; L46-A52 HydrophobicContact CG-CB 4.17Å; L46-A52 PolarHBondContact N-O 3.19Å; L46-Y54 VanDerWaalsContact CD2-CB 3.49Å; L46-Y54 HydrophobicContact CD2-CG 4.12Å; L46-H75 HydrophobicContact CD2-CB 3.82Å; L46-I79 HydrophobicContact CB-CD1 3.76Å; L46-I79 HydrophobicContact CD1-CD1 3.88Å; L46-I79 HydrophobicContact CD1-CG1 4.09Å; L46-I79 HydrophobicContact CD2-CD1 4.17Å; L46-I79 HydrophobicContact CG-CD1 4.15Å; L46-L169 HydrophobicContact CD1-CD1 3.98Å; L46-L169 HydrophobicContact CD1-CG 4.49Å
47	P	94.5	Very high	97.6	Very high	80 Å²	80	35 Å²	35	52%	0.519	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	117.8	167.9	-23.2	33.6	0	0	0	110.5	I79	P47-I79 WeakPolarHBondContact O-CD1 3.49Å
48	G	92.4	Very high	97.7	Very high	80 Å²	80	33.6 Å²	33.6	83%	0.825	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.7	-12.3	-177.4	0	0	0	0	0	115.5	L46	L46-G48 PolarHBondContact O-N 3.24Å; L46-G48 VanDerWaalsContact O-N 3.1Å
49	D	96.9	Very high	97.7	Very high	22 Å²	22	33.8 Å²	33.8	12%	0.118	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-141.6	88.3	169.1	-169.5	-7.2	0	0	0	111.5	L46 K51 A52 Y84 K171	L46-D49 HydrophobicContact CB-CB 4.47Å; L46-D49 PolarHBondContact N-O 3.26Å; L46-D49 CarbonylContact O-C 3.58Å; L46-D49 VanDerWaalsContact O-C 3.26Å; L46-D49 PolarHBondContact O-N 3.09Å; D49-K51 PolarHBondContact O-N 3.27Å; D49-K51 WeakPolarHBondContact OD1-CB 3.05Å; D49-K51 PolarHBondContact OD1-N 3.14Å; D49-A52 HydrophobicContact CB-CB 4.18Å; D49-A52 PolarHBondContact O-N 3.03Å; D49-Y84 HydrophobicContact CB-CE1 4.36Å; D49-Y84 PolarHBondContact OD2-OH 3.18Å; D49-K171 WeakPolarHBondContact OD2-CD 3.27Å; D49-K171 WeakPolarHBondContact OD2-CE 3.3Å
50	P	95.3	Very high	97.7	Very high	89 Å²	89	33.7 Å²	33.7	58%	0.578	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-4.9	-178.9	28.9	-35.6	0	0	0	113.9
51	K	95.2	Very high	97.5	Very high	147 Å²	147	34.1 Å²	34.1	64%	0.639	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-8	173.8	-63.1	-177.8	177.3	-178.7	0	113	D49	D49-K51 PolarHBondContact O-N 3.27Å; D49-K51 WeakPolarHBondContact OD1-CB 3.05Å; D49-K51 PolarHBondContact OD1-N 3.14Å
52	A	98.2	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.3	-176.4	0	0	0	0	0	110.9	E45 L46 D49 L170 K171	E45-A52 CarbonylContact C-O 3.54Å; E45-A52 VanDerWaalsContact CA-O 3.24Å; E45-A52 WeakPolarHBondContact CA-O 3.35Å; L46-A52 HydrophobicContact CB-CB 4.3Å; L46-A52 HydrophobicContact CD1-CB 3.72Å; L46-A52 HydrophobicContact CG-CB 4.17Å; L46-A52 PolarHBondContact N-O 3.19Å; D49-A52 HydrophobicContact CB-CB 4.18Å; D49-A52 PolarHBondContact O-N 3.03Å; A52-L170 CarbonylContact C-O 3.39Å; A52-L170 VanDerWaalsContact CA-O 3.24Å; A52-L170 WeakPolarHBondContact CA-O 3.49Å; A52-K171 HydrophobicContact CB-CB 4.03Å; A52-K171 HydrophobicContact CB-CD 4.07Å; A52-K171 HydrophobicContact CB-CG 4.09Å
53	A	98.6	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	150.6	168.7	0	0	0	0	0	110.2	Y22 L43 L44 F55 L169 L170	Y22-A53 HydrophobicContact CD2-CB 4Å; Y22-A53 HydrophobicContact CE2-CB 3.53Å; L43-A53 CarbonylContact O-C 3.5Å; L43-A53 WeakPolarHBondContact O-CA 3.47Å; L44-A53 WeakPolarHBondContact O-CB 3.42Å; A53-F55 HydrophobicContact CB-CE2 3.75Å; A53-F55 HydrophobicContact CB-CZ 3.76Å; A53-L169 CarbonylContact O-C 3.57Å; A53-L169 WeakPolarHBondContact O-CA 3.44Å; A53-L170 HydrophobicContact CB-CB 4.43Å; A53-L170 PolarHBondContact N-O 2.87Å; A53-L170 PolarHBondContact O-N 2.99Å
54	Y	98.8	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	129.6	-177.1	175.3	-85.2	0	0	0	111.4	M41 L43 L46 S56 H75 I78 I167	M41-Y54 HydrophobicContact CB-CE1 4.08Å; M41-Y54 HydrophobicContact CG-CD1 4.19Å; M41-Y54 HydrophobicContact CG-CE1 4.13Å; L43-Y54 HydrophobicContact CD1-CD1 4.41Å; L43-Y54 PolarHBondContact N-O 2.85Å; L43-Y54 PolarHBondContact O-N 3.19Å; L46-Y54 VanDerWaalsContact CD2-CB 3.49Å; L46-Y54 HydrophobicContact CD2-CG 4.12Å; Y54-S56 WeakPolarHBondContact CE1-OG 3.31Å; Y54-S56 PolarHBondContact OH-OG 3.25Å; Y54-H75 HydrophobicContact CD1-CB 3.73Å; Y54-H75 HydrophobicContact CD2-CB 4Å; Y54-H75 HydrophobicContact CE1-CB 3.73Å; Y54-H75 HydrophobicContact CE2-CB 3.99Å; Y54-H75 HydrophobicContact CG-CB 3.87Å; Y54-I78 HydrophobicContact CD2-CD1 4.38Å; Y54-I78 HydrophobicContact CE2-CD1 3.76Å; Y54-I167 HydrophobicContact CE2-CB 3.81Å; Y54-I167 HydrophobicContact CE2-CD1 4.12Å; Y54-I167 HydrophobicContact CE2-CG1 4.31Å; Y54-I167 HydrophobicContact CE2-CG2 4.02Å; Y54-I167 VanDerWaalsContact OH-CG2 3.22Å; Y54-I167 WeakPolarHBondContact OH-CG2 3.5Å
55	F	98.9	Very high	96.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.5	-179.9	-49.8	-71.8	0	0	0	109.4	V24 M41 C42 L44 A53 I167 V168 L170 L272 V329 V331	V24-F55 HydrophobicContact CB-CE1 4.23Å; V24-F55 HydrophobicContact CG1-CD1 3.96Å; V24-F55 HydrophobicContact CG1-CE1 3.8Å; V24-F55 HydrophobicContact CG2-CD1 4.48Å; V24-F55 HydrophobicContact CG2-CE1 3.6Å; V24-F55 HydrophobicContact CG2-CZ 3.78Å; M41-F55 CarbonylContact O-C 3.55Å; M41-F55 WeakPolarHBondContact O-CA 3.21Å; C42-F55 HydrophobicContact CB-CD1 4.16Å; L44-F55 HydrophobicContact CD2-CE1 4.05Å; L44-F55 HydrophobicContact CD2-CZ 4.14Å; A53-F55 HydrophobicContact CB-CE2 3.75Å; A53-F55 HydrophobicContact CB-CZ 3.76Å; F55-I167 CarbonylContact O-C 3.45Å; F55-I167 WeakPolarHBondContact O-CA 3.41Å; F55-V168 PolarHBondContact N-O 3.49Å; F55-V168 PolarHBondContact O-N 3.48Å; F55-L170 HydrophobicContact CE2-CD1 4.05Å; F55-L170 HydrophobicContact CE2-CG 4.46Å; F55-L272 HydrophobicContact CB-CD1 4.29Å; F55-L272 HydrophobicContact CB-CD2 4.46Å; F55-V329 HydrophobicContact CB-CG1 4.23Å; F55-V331 HydrophobicContact CB-CG2 4.12Å; F55-V331 HydrophobicContact CD1-CG2 3.88Å; F55-V331 HydrophobicContact CD2-CB 4.5Å; F55-V331 HydrophobicContact CD2-CG1 4.09Å; F55-V331 HydrophobicContact CD2-CG2 3.61Å; F55-V331 HydrophobicContact CE1-CG2 4.24Å; F55-V331 HydrophobicContact CE2-CB 4.48Å; F55-V331 HydrophobicContact CE2-CG1 3.65Å; F55-V331 HydrophobicContact CE2-CG2 3.96Å; F55-V331 HydrophobicContact CG-CG2 3.55Å; F55-V331 HydrophobicContact CZ-CG1 3.96Å; F55-V331 HydrophobicContact CZ-CG2 4.26Å
56	S	98.9	Very high	96.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	155.3	-179.2	57.6	0	0	0	0	113.9	H40 M41 Y54 F58 I166	H40-S56 WeakPolarHBondContact CA-O 3.3Å; H40-S56 VanDerWaalsContact CB-O 3.24Å; H40-S56 WeakPolarHBondContact CB-O 3.18Å; M41-S56 WeakPolarHBondContact CB-OG 3.39Å; M41-S56 PolarHBondContact N-O 3.13Å; M41-S56 VanDerWaalsContact N-O 3.09Å; M41-S56 PolarHBondContact N-OG 3.3Å; M41-S56 PolarHBondContact O-N 3.33Å; Y54-S56 WeakPolarHBondContact CE1-OG 3.31Å; Y54-S56 PolarHBondContact OH-OG 3.25Å; S56-F58 WeakPolarHBondContact OG-CE2 3.31Å; S56-I166 WeakPolarHBondContact CA-O 3.15Å; S56-I166 VanDerWaalsContact CB-O 3.25Å; S56-I166 WeakPolarHBondContact CB-O 3.47Å
57	V	98.9	Very high	96.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	139	171.8	177.2	0	0	0	0	108	I166 L272 C274 T327 V329	V57-I166 HydrophobicContact CB-CG2 3.78Å; V57-I166 PolarHBondContact N-O 3.08Å; V57-I166 WeakPolarHBondContact O-CG2 3.37Å; V57-I166 PolarHBondContact O-N 2.99Å; V57-L272 HydrophobicContact CG2-CB 4.01Å; V57-C274 HydrophobicContact CG1-CB 4.2Å; V57-T327 HydrophobicContact CG1-CG2 3.98Å; V57-T327 HydrophobicContact CG2-CG2 4.04Å; V57-V329 HydrophobicContact CG2-CB 4.29Å; V57-V329 HydrophobicContact CG2-CG2 3.58Å
58	F	98.9	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.1	178.2	-55.9	-90.6	0	0	0	106.9	D38 A39 S56 A67 A70 L74 S163 T164 I167 F233	D38-F58 CarbonylContact C-O 3.52Å; D38-F58 WeakPolarHBondContact CA-O 3.16Å; A39-F58 HydrophobicContact CB-CB 4.41Å; A39-F58 PolarHBondContact N-O 3.16Å; A39-F58 PolarHBondContact O-N 2.7Å; S56-F58 WeakPolarHBondContact OG-CE2 3.31Å; F58-A67 HydrophobicContact CB-CB 4.05Å; F58-A70 HydrophobicContact CD1-CB 3.5Å; F58-A70 VanDerWaalsContact CD1-CB 3.5Å; F58-A70 HydrophobicContact CE1-CB 3.45Å; F58-A70 VanDerWaalsContact CE1-CB 3.45Å; F58-A70 HydrophobicContact CG-CB 4.21Å; F58-A70 HydrophobicContact CZ-CB 4.1Å; F58-L74 HydrophobicContact CE1-CD2 3.78Å; F58-L74 HydrophobicContact CZ-CB 4.42Å; F58-L74 HydrophobicContact CZ-CD2 3.86Å; F58-S163 WeakPolarHBondContact CB-OG 3.3Å; F58-T164 VanDerWaalsContact CD1-O 3.3Å; F58-T164 WeakPolarHBondContact CD1-O 3.46Å; F58-I167 HydrophobicContact CZ-CG2 4.49Å; F58-F233 HydrophobicContact CD1-CD2 4.49Å; F58-F233 HydrophobicContact CD1-CE2 4.41Å; F58-F233 HydrophobicContact CE1-CE2 4.09Å
59	D	98.6	Very high	97.1	Very high	15 Å²	15	30.6 Å²	30.6	8%	0.08	17%	0.174	C	C	.	.			trans	-92.4	115	177	-176.5	-18.2	0	0	0	107.3	S163 T164 S183 C274	D59-S163 VanDerWaalsContact C-OG 3.28Å; D59-S163 CarbonylContact O-C 3.52Å; D59-S163 WeakPolarHBondContact O-CA 3.46Å; D59-S163 WeakPolarHBondContact O-CB 3.28Å; D59-S163 PolarHBondContact O-OG 2.93Å; D59-T164 HydrophobicContact CB-CG2 3.9Å; D59-T164 WeakPolarHBondContact CB-OG1 3.3Å; D59-T164 PolarHBondContact N-OG1 3.49Å; D59-T164 PolarHBondContact O-N 3.31Å; D59-S183 WeakPolarHBondContact CB-OG 3.49Å; D59-C274 HydrophobicContact CB-CB 3.87Å; D59-C274 WeakPolarHBondContact OD2-CB 3.06Å
60	G	97.9	Very high	97.1	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	150.5	-168.4	0	0	0	0	0	112.7	E37	E37-G60 VanDerWaalsContact CB-O 3.23Å; E37-G60 WeakPolarHBondContact CB-O 3.37Å
61	H	95.7	Very high	97.3	Very high	42 Å²	42	25.8 Å²	25.8	19%	0.194	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	148.5	171	61.3	-97.7	0	0	0	112	G63 A161 G162 D235	H61-G63 VanDerWaalsContact C-N 3.27Å; H61-G63 PolarHBondContact O-N 3.3Å; H61-A161 CarbonylContact O-C 3.59Å; H61-A161 VanDerWaalsContact O-CA 3.27Å; H61-A161 WeakPolarHBondContact O-CA 3.46Å; H61-G162 PolarHBondContact N-O 2.79Å; H61-G162 WeakPolarHBondContact NE2-CA 3.46Å; H61-G162 PolarHBondContact NE2-N 2.78Å; H61-G162 PolarHBondContact O-N 3.16Å; H61-D235 IonicContact CD2-OD1 2.88Å; H61-D235 IonicContact CE1-OD1 3.88Å; H61-D235 IonicContact CE1-OD2 2.75Å; H61-D235 PolarHBondContact CE1-OD2 3.44Å; H61-D235 VanDerWaalsContact NE2-CG 3.29Å; H61-D235 IonicContact NE2-OD1 2.58Å; H61-D235 PolarHBondContact NE2-OD1 3Å; H61-D235 IonicContact NE2-OD2 3.55Å; H61-D235 PolarHBondContact NE2-OD2 2.95Å
62	G	93.3	Very high	97.4	Very high	55 Å²	55	25.7 Å²	25.7	57%	0.567	14%	0.139	S	C	*	.	S	Bend	trans	73.6	19.8	177.7	0	0	0	0	0	113.4	E37 A161	E37-G62 PolarHBondContact OE1-N 2.72Å; E37-G62 VanDerWaalsContact OE1-N 3.14Å; G62-A161 WeakPolarHBondContact O-CB 3.42Å
63	G	93	Very high	97.4	Very high	28 Å²	28	28.8 Å²	28.8	29%	0.289	15%	0.154	S	C	.	.	S	Bend	trans	125.6	161.5	-177	0	0	0	0	0	112.5	E37 H61	E37-G63 WeakPolarHBondContact OE1-CA 3.38Å; E37-G63 PolarHBondContact OE1-N 3.49Å; H61-G63 VanDerWaalsContact C-N 3.27Å; H61-G63 PolarHBondContact O-N 3.3Å
64	T	94.9	Very high	97.4	Very high	55 Å²	55	28.8 Å²	28.8	34%	0.337	15%	0.154	S	C	.	.	S	Bend	trans	-88.8	-4.9	-173.6	69.8	0	0	0	0	113.9	M36 E37 N68	M36-T64 WeakPolarHBondContact O-CG2 3.49Å; E37-T64 HydrophobicContact CG-CG2 4.28Å; T64-N68 WeakPolarHBondContact CB-ND2 3.23Å; T64-N68 WeakPolarHBondContact O-CB 3.15Å; T64-N68 VanDerWaalsContact O-CG 3.28Å; T64-N68 PolarHBondContact O-N 3.13Å; T64-N68 PolarHBondContact O-ND2 3.22Å; T64-N68 PolarHBondContact OG1-ND2 2.82Å
65	R	94.9	Very high	97.4	Very high	103 Å²	103	29.3 Å²	29.3	39%	0.389	16%	0.156	S	C	.	.	H	α-helix	trans	-68.1	-45.1	-167	-71.1	-177.3	66.3	-112.4	9.4	113	H69 D158	R65-H69 VanDerWaalsContact O-CB 3.28Å; R65-H69 WeakPolarHBondContact O-CB 3.29Å; R65-H69 PolarHBondContact O-N 3.31Å; R65-D158 IonicContact CZ-OD1 3.03Å; R65-D158 IonicContact CZ-OD2 3.64Å; R65-D158 IonicContact NH1-OD1 3.54Å; R65-D158 PolarHBondContact NH1-OD1 3.16Å; R65-D158 IonicContact NH1-OD2 3.67Å; R65-D158 PolarHBondContact NH1-OD2 2.8Å; R65-D158 IonicContact NH2-OD2 2.79Å
66	V	97.1	Very high	97.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-51.9	-178.9	177.7	0	0	0	0	110.4	N68 H69 A70 M104 M108 A161 F233	V66-N68 PolarHBondContact O-N 2.94Å; V66-H69 PolarHBondContact O-N 3.08Å; V66-A70 WeakPolarHBondContact O-CB 3.38Å; V66-A70 PolarHBondContact O-N 3.35Å; V66-M104 HydrophobicContact CG1-SD 3.98Å; V66-M108 HydrophobicContact CG2-SD 4.09Å; V66-A161 HydrophobicContact CG2-CB 4.19Å; V66-F233 HydrophobicContact CG1-CB 3.55Å
67	A	98.2	Very high	97.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.4	-47	177.8	0	0	0	0	0	112.1	E37 A39 F58 A70 S71 S163	E37-A67 WeakPolarHBondContact O-CB 3.4Å; A39-A67 HydrophobicContact CB-CB 4.08Å; F58-A67 HydrophobicContact CB-CB 4.05Å; A67-A70 PolarHBondContact O-N 3.02Å; A67-S71 WeakPolarHBondContact O-CB 3.41Å; A67-S71 PolarHBondContact O-N 3.09Å; A67-S163 WeakPolarHBondContact CB-OG 3.21Å
68	N	98.1	Very high	97.3	Very high	48 Å²	48	34.9 Å²	34.9	26%	0.257	18%	0.182	S	C	.	.	H	α-helix	trans	-65.5	-39.9	178.8	-81.1	-48.3	0	0	0	113.1	T64 V66 R72	T64-N68 WeakPolarHBondContact CB-ND2 3.23Å; T64-N68 WeakPolarHBondContact O-CB 3.15Å; T64-N68 VanDerWaalsContact O-CG 3.28Å; T64-N68 PolarHBondContact O-N 3.13Å; T64-N68 PolarHBondContact O-ND2 3.22Å; T64-N68 PolarHBondContact OG1-ND2 2.82Å; V66-N68 PolarHBondContact O-N 2.94Å; N68-R72 WeakPolarHBondContact O-CB 3.34Å; N68-R72 VanDerWaalsContact O-CG 3.24Å; N68-R72 WeakPolarHBondContact O-CG 3.14Å; N68-R72 PolarHBondContact O-N 2.88Å; N68-R72 VanDerWaalsContact O-N 3.13Å
69	H	97.8	Very high	97.3	Very high	35 Å²	35	36.9 Å²	36.9	16%	0.162	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-44.7	176.9	-174	110.5	0	0	0	110.5	R65 V66 S71 R72 H73 M104 M108	R65-H69 VanDerWaalsContact O-CB 3.28Å; R65-H69 WeakPolarHBondContact O-CB 3.29Å; R65-H69 PolarHBondContact O-N 3.31Å; V66-H69 PolarHBondContact O-N 3.08Å; H69-S71 PolarHBondContact O-N 2.94Å; H69-R72 PolarHBondContact O-N 3.34Å; H69-H73 AromaticContact CD2-CD2 3.81Å; H69-H73 AromaticContact CE1-CD2 3.83Å; H69-H73 AromaticContact CG-CD2 3.96Å; H69-H73 AromaticContact ND1-CD2 3.95Å; H69-H73 AromaticContact NE2-CD2 3.75Å; H69-H73 PolarHBondContact O-CD2 2.96Å; H69-H73 PolarHBondContact O-N 3.42Å; H69-M104 HydrophobicContact CB-CE 3.94Å; H69-M104 WeakPolarHBondContact CD2-CE 3.37Å; H69-M108 HydrophobicContact CB-CE 3.51Å
70	A	98.5	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.3	-45.7	178	0	0	0	0	0	111.8	F58 V66 A67 R72 H73 L74 M100 M104 F233	F58-A70 HydrophobicContact CD1-CB 3.5Å; F58-A70 VanDerWaalsContact CD1-CB 3.5Å; F58-A70 HydrophobicContact CE1-CB 3.45Å; F58-A70 VanDerWaalsContact CE1-CB 3.45Å; F58-A70 HydrophobicContact CG-CB 4.21Å; F58-A70 HydrophobicContact CZ-CB 4.1Å; V66-A70 WeakPolarHBondContact O-CB 3.38Å; V66-A70 PolarHBondContact O-N 3.35Å; A67-A70 PolarHBondContact O-N 3.02Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.4Å; A70-H73 PolarHBondContact O-N 3.47Å; A70-L74 WeakPolarHBondContact O-CB 3.03Å; A70-L74 PolarHBondContact O-N 3.46Å; A70-M100 HydrophobicContact CB-CE 3.76Å; A70-M104 HydrophobicContact CB-CE 3.82Å; A70-F233 HydrophobicContact CB-CD2 4.18Å; A70-F233 HydrophobicContact CB-CE2 4.34Å
71	S	98.6	Very high	97.2	Very high	9 Å²	9	43.7 Å²	43.7	6%	0.063	22%	0.222	C	C	.	.	H	α-helix	trans	-55.9	-43	174.8	158.8	0	0	0	0	112.9	H40 M41 A67 H69	H40-S71 PolarHBondContact O-OG 3.01Å; M41-S71 WeakPolarHBondContact CE-O 3.31Å; A67-S71 WeakPolarHBondContact O-CB 3.41Å; A67-S71 PolarHBondContact O-N 3.09Å; H69-S71 PolarHBondContact O-N 2.94Å
72	R	98.1	Very high	97.3	Very high	145 Å²	145	44.7 Å²	44.7	55%	0.547	23%	0.234	S	C	.	.	H	α-helix	trans	-75.7	-33.2	-176.4	-71.7	173	-167.3	163.1	5.9	114	N68 H69 A70 H75	N68-R72 WeakPolarHBondContact O-CB 3.34Å; N68-R72 VanDerWaalsContact O-CG 3.24Å; N68-R72 WeakPolarHBondContact O-CG 3.14Å; N68-R72 PolarHBondContact O-N 2.88Å; N68-R72 VanDerWaalsContact O-N 3.13Å; H69-R72 PolarHBondContact O-N 3.34Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.4Å; R72-H75 PolarHBondContact O-CE1 3.46Å
73	H	98.3	Very high	97.6	Very high	65 Å²	65	43.5 Å²	43.5	30%	0.301	21%	0.214	S	C	.	.	H	α-helix	trans	-120.2	-19.1	-164.5	-62.5	-58.6	0	0	0	115.1	H69 A70 H75 E76 K77 M100	H69-H73 AromaticContact CD2-CD2 3.81Å; H69-H73 AromaticContact CE1-CD2 3.83Å; H69-H73 AromaticContact CG-CD2 3.96Å; H69-H73 AromaticContact ND1-CD2 3.95Å; H69-H73 AromaticContact NE2-CD2 3.75Å; H69-H73 PolarHBondContact O-CD2 2.96Å; H69-H73 PolarHBondContact O-N 3.42Å; A70-H73 PolarHBondContact O-N 3.47Å; H73-H75 VanDerWaalsContact C-N 3.28Å; H73-H75 PolarHBondContact O-N 2.91Å; H73-E76 IonicContact CE1-OE2 3.97Å; H73-E76 IonicContact CG-OE2 3.97Å; H73-E76 IonicContact ND1-OE2 3.43Å; H73-E76 PolarHBondContact ND1-OE2 2.88Å; H73-E76 WeakPolarHBondContact O-CB 3.26Å; H73-E76 PolarHBondContact O-N 3.08Å; H73-E76 VanDerWaalsContact O-N 3.11Å; H73-K77 WeakPolarHBondContact O-CG 3.44Å; H73-K77 PolarHBondContact O-N 3.38Å; H73-M100 HydrophobicContact CB-SD 4.4Å
74	L	98.8	Very high	97.8	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-37.7	-172.8	179.4	54.7	0	0	0	113	F58 A70 K77 I78 A96 F97 M100 I167 F233	F58-L74 HydrophobicContact CE1-CD2 3.78Å; F58-L74 HydrophobicContact CZ-CB 4.42Å; F58-L74 HydrophobicContact CZ-CD2 3.86Å; A70-L74 WeakPolarHBondContact O-CB 3.03Å; A70-L74 PolarHBondContact O-N 3.46Å; L74-K77 PolarHBondContact O-N 3.3Å; L74-I78 HydrophobicContact CD1-CD1 4.38Å; L74-I78 HydrophobicContact CD1-CG1 4.36Å; L74-I78 HydrophobicContact CG-CD1 4.2Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.19Å; L74-I78 PolarHBondContact O-N 3.42Å; L74-A96 HydrophobicContact CD1-CB 4.09Å; L74-F97 HydrophobicContact CD1-CD2 3.71Å; L74-F97 HydrophobicContact CD1-CE2 3.98Å; L74-F97 HydrophobicContact CD1-CG 4.42Å; L74-F97 HydrophobicContact CD2-CD2 4.09Å; L74-F97 HydrophobicContact CD2-CE1 4.48Å; L74-F97 HydrophobicContact CD2-CE2 3.58Å; L74-F97 HydrophobicContact CD2-CZ 3.8Å; L74-F97 HydrophobicContact CG-CD2 4.47Å; L74-F97 HydrophobicContact CG-CE2 4.25Å; L74-M100 HydrophobicContact CB-CE 3.84Å; L74-M100 HydrophobicContact CB-SD 3.82Å; L74-M100 HydrophobicContact CD1-CE 3.78Å; L74-M100 HydrophobicContact CD1-SD 4.24Å; L74-M100 HydrophobicContact CD2-CE 4.26Å; L74-M100 HydrophobicContact CG-CE 4.16Å; L74-I167 HydrophobicContact CD2-CG2 3.67Å; L74-F233 HydrophobicContact CD1-CZ 4.35Å; L74-F233 HydrophobicContact CD2-CE2 4.19Å; L74-F233 HydrophobicContact CD2-CZ 3.98Å
75	H	98.5	Very high	97.9	Very high	12 Å²	12	44 Å²	44	6%	0.056	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-37.8	178.5	65.8	-85	0	0	0	112.7	L43 L46 Y54 R72 H73 I78 I79	L43-H75 HydrophobicContact CD1-CB 4.28Å; L43-H75 WeakPolarHBondContact CD1-CD2 3.49Å; L46-H75 HydrophobicContact CD2-CB 3.82Å; Y54-H75 HydrophobicContact CD1-CB 3.73Å; Y54-H75 HydrophobicContact CD2-CB 4Å; Y54-H75 HydrophobicContact CE1-CB 3.73Å; Y54-H75 HydrophobicContact CE2-CB 3.99Å; Y54-H75 HydrophobicContact CG-CB 3.87Å; R72-H75 PolarHBondContact O-CE1 3.46Å; H73-H75 VanDerWaalsContact C-N 3.28Å; H73-H75 PolarHBondContact O-N 2.91Å; H75-I78 PolarHBondContact O-N 3.01Å; H75-I79 WeakPolarHBondContact O-CG1 3.37Å; H75-I79 PolarHBondContact O-N 3.17Å
76	E	98.1	Very high	98	Very high	82 Å²	82	48.2 Å²	48.2	38%	0.383	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-48.3	174	-55.4	175.9	143.9	0	0	109.6	H73 I78 I79 E80	H73-E76 IonicContact CE1-OE2 3.97Å; H73-E76 IonicContact CG-OE2 3.97Å; H73-E76 IonicContact ND1-OE2 3.43Å; H73-E76 PolarHBondContact ND1-OE2 2.88Å; H73-E76 WeakPolarHBondContact O-CB 3.26Å; H73-E76 PolarHBondContact O-N 3.08Å; H73-E76 VanDerWaalsContact O-N 3.11Å; E76-I78 PolarHBondContact O-N 3.24Å; E76-I79 PolarHBondContact O-N 3.42Å; E76-E80 WeakPolarHBondContact O-CG 3.19Å; E76-E80 PolarHBondContact O-N 3.33Å
77	K	98.1	Very high	97.9	Very high	34 Å²	34	52.6 Å²	52.6	15%	0.148	26%	0.263	C	S	.	.	H	α-helix	trans	-57.5	-34.7	178.3	-67.9	-71.8	168.7	-174.1	0	113.1	H73 L74 E80 Q81 A96 M100 E103	H73-K77 WeakPolarHBondContact O-CG 3.44Å; H73-K77 PolarHBondContact O-N 3.38Å; L74-K77 PolarHBondContact O-N 3.3Å; K77-E80 IonicContact NZ-OE2 3.03Å; K77-Q81 VanDerWaalsContact O-CG 3.29Å; K77-Q81 WeakPolarHBondContact O-CG 3.41Å; K77-Q81 PolarHBondContact O-N 3.46Å; K77-Q81 PolarHBondContact O-NE2 3.26Å; K77-A96 HydrophobicContact CB-CB 3.98Å; K77-M100 HydrophobicContact CG-CB 4.24Å; K77-M100 HydrophobicContact CG-CG 4.41Å; K77-E103 WeakPolarHBondContact CE-OE2 3.37Å; K77-E103 IonicContact NZ-OE1 3.53Å; K77-E103 PolarHBondContact NZ-OE1 2.99Å; K77-E103 IonicContact NZ-OE2 3.33Å; K77-E103 PolarHBondContact NZ-OE2 2.86Å
78	I	98.7	Very high	97.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.2	-45.9	175.8	-70.7	164.4	0	0	0	111.2	Y54 L74 H75 E76 E80 Q81 Y84 A92 I93 A96 I167 L169	Y54-I78 HydrophobicContact CD2-CD1 4.38Å; Y54-I78 HydrophobicContact CE2-CD1 3.76Å; L74-I78 HydrophobicContact CD1-CD1 4.38Å; L74-I78 HydrophobicContact CD1-CG1 4.36Å; L74-I78 HydrophobicContact CG-CD1 4.2Å; L74-I78 VanDerWaalsContact O-CG1 3.26Å; L74-I78 WeakPolarHBondContact O-CG1 3.19Å; L74-I78 PolarHBondContact O-N 3.42Å; H75-I78 PolarHBondContact O-N 3.01Å; E76-I78 PolarHBondContact O-N 3.24Å; I78-E80 VanDerWaalsContact C-N 3.34Å; I78-Q81 PolarHBondContact O-N 3.45Å; I78-Y84 HydrophobicContact CG2-CD2 3.75Å; I78-Y84 HydrophobicContact CG2-CE2 3.98Å; I78-Y84 WeakPolarHBondContact O-CB 3.48Å; I78-A92 HydrophobicContact CG2-CB 4.44Å; I78-I93 HydrophobicContact CD1-CG1 4.15Å; I78-I93 HydrophobicContact CG1-CG1 4.36Å; I78-I93 HydrophobicContact CG2-CG1 4.27Å; I78-A96 HydrophobicContact CB-CB 4.21Å; I78-A96 HydrophobicContact CG1-CB 3.49Å; I78-A96 VanDerWaalsContact CG1-CB 3.49Å; I78-I167 HydrophobicContact CD1-CD1 4.38Å; I78-L169 HydrophobicContact CG2-CD1 4.08Å
79	I	97.9	Very high	98	Very high	42 Å²	42	54.1 Å²	54.1	22%	0.215	27%	0.271	C	S	.	.	H	α-helix	trans	-71.5	-33	-177.3	-59.2	167.8	0	0	0	111.1	L46 P47 H75 E76 Q81 Y84	L46-I79 HydrophobicContact CB-CD1 3.76Å; L46-I79 HydrophobicContact CD1-CD1 3.88Å; L46-I79 HydrophobicContact CD1-CG1 4.09Å; L46-I79 HydrophobicContact CD2-CD1 4.17Å; L46-I79 HydrophobicContact CG-CD1 4.15Å; P47-I79 WeakPolarHBondContact O-CD1 3.49Å; H75-I79 WeakPolarHBondContact O-CG1 3.37Å; H75-I79 PolarHBondContact O-N 3.17Å; E76-I79 PolarHBondContact O-N 3.42Å; I79-Q81 PolarHBondContact O-N 3.49Å; I79-Y84 HydrophobicContact CG1-CE1 4.39Å; I79-Y84 HydrophobicContact CG1-CE2 4.39Å; I79-Y84 HydrophobicContact CG2-CD1 4.32Å; I79-Y84 HydrophobicContact CG2-CE1 4.33Å
80	E	97.2	Very high	98	Very high	128 Å²	128	57.5 Å²	57.5	60%	0.598	29%	0.286	S	S	*	.	H	α-helix	trans	-66.4	-22.3	176.9	-72.5	174.9	174.9	0	0	113.5	E76 K77 I78 S82	E76-E80 WeakPolarHBondContact O-CG 3.19Å; E76-E80 PolarHBondContact O-N 3.33Å; K77-E80 IonicContact NZ-OE2 3.03Å; I78-E80 VanDerWaalsContact C-N 3.34Å; E80-S82 PolarHBondContact O-N 2.96Å
81	Q	97.9	Very high	98	Very high	34 Å²	34	59.9 Å²	59.9	16%	0.159	30%	0.297	C	S	.	.	S	Bend	trans	-66.2	135.2	178.4	-58.6	-46.3	-56.7	0	0	111.3	K77 I78 I79 E83 Y84 A92 H95 A96	K77-Q81 VanDerWaalsContact O-CG 3.29Å; K77-Q81 WeakPolarHBondContact O-CG 3.41Å; K77-Q81 PolarHBondContact O-N 3.46Å; K77-Q81 PolarHBondContact O-NE2 3.26Å; I78-Q81 PolarHBondContact O-N 3.45Å; I79-Q81 PolarHBondContact O-N 3.49Å; Q81-E83 PolarHBondContact O-N 2.85Å; Q81-E83 VanDerWaalsContact O-N 3.09Å; Q81-Y84 VanDerWaalsContact O-CB 3.27Å; Q81-Y84 WeakPolarHBondContact O-CB 3.34Å; Q81-Y84 PolarHBondContact O-N 3.19Å; Q81-A92 HydrophobicContact CB-CB 3.91Å; Q81-A92 HydrophobicContact CG-CB 4.35Å; Q81-A92 WeakPolarHBondContact CG-O 3.5Å; Q81-H95 HydrophobicContact CG-CB 4.06Å; Q81-A96 HydrophobicContact CG-CB 4.16Å
82	S	98	Very high	98	Very high	64 Å²	64	59.4 Å²	59.4	45%	0.448	29%	0.294	S	S	.	.	H	α-helix	trans	-57.8	-29.6	179.3	74.5	0	0	0	0	113.2	E80 Y84 G85 R86	E80-S82 PolarHBondContact O-N 2.96Å; S82-Y84 VanDerWaalsContact C-N 3.3Å; S82-Y84 PolarHBondContact O-N 3.23Å; S82-G85 PolarHBondContact O-N 3.19Å; S82-R86 PolarHBondContact O-N 3.28Å
83	E	98.4	Very high	98	Very high	30 Å²	30	52.5 Å²	52.5	14%	0.14	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-31	178.8	-68.6	81.9	174.7	0	0	112	Q81 R86 N87 N88 E91 A92 H95	Q81-E83 PolarHBondContact O-N 2.85Å; Q81-E83 VanDerWaalsContact O-N 3.09Å; E83-R86 CarbonylContact O-C 3.51Å; E83-R86 PolarHBondContact O-N 2.63Å; E83-N87 PolarHBondContact O-N 3.18Å; E83-N88 HydrophobicContact CB-CB 4.24Å; E83-N88 CarbonylContact O-C 3.38Å; E83-N88 WeakPolarHBondContact O-CA 3.5Å; E83-N88 PolarHBondContact O-N 2.73Å; E83-E91 HydrophobicContact CB-CB 4.21Å; E83-E91 HydrophobicContact CG-CB 4.02Å; E83-E91 HydrophobicContact CG-CG 3.87Å; E83-A92 HydrophobicContact CB-CB 4.11Å; E83-H95 IonicContact OE1-CE1 2.92Å; E83-H95 PolarHBondContact OE1-CE1 3.38Å; E83-H95 IonicContact OE1-ND1 3.23Å; E83-H95 PolarHBondContact OE1-ND1 3.49Å; E83-H95 IonicContact OE2-ND1 3.75Å
84	Y	98.3	Very high	98.1	Very high	20 Å²	20	52 Å²	52	8%	0.078	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-49	176.5	-169.2	-87.5	0	0	0	110.7	D49 I78 I79 Q81 S82 R86 N87 I89 A92 L169	D49-Y84 HydrophobicContact CB-CE1 4.36Å; D49-Y84 PolarHBondContact OD2-OH 3.18Å; I78-Y84 HydrophobicContact CG2-CD2 3.75Å; I78-Y84 HydrophobicContact CG2-CE2 3.98Å; I78-Y84 WeakPolarHBondContact O-CB 3.48Å; I79-Y84 HydrophobicContact CG1-CE1 4.39Å; I79-Y84 HydrophobicContact CG1-CE2 4.39Å; I79-Y84 HydrophobicContact CG2-CD1 4.32Å; I79-Y84 HydrophobicContact CG2-CE1 4.33Å; Q81-Y84 VanDerWaalsContact O-CB 3.27Å; Q81-Y84 WeakPolarHBondContact O-CB 3.34Å; Q81-Y84 PolarHBondContact O-N 3.19Å; S82-Y84 VanDerWaalsContact C-N 3.3Å; S82-Y84 PolarHBondContact O-N 3.23Å; Y84-R86 PolarHBondContact O-N 3.38Å; Y84-N87 WeakPolarHBondContact O-CA 3.48Å; Y84-N87 PolarHBondContact O-N 3.45Å; Y84-I89 HydrophobicContact CD2-CG1 4.15Å; Y84-I89 HydrophobicContact CE2-CD1 4.47Å; Y84-I89 HydrophobicContact CE2-CG1 4.23Å; Y84-I89 HydrophobicContact CE2-CG2 4.49Å; Y84-A92 HydrophobicContact CD2-CB 4.27Å; Y84-L169 HydrophobicContact CE2-CD1 4.14Å
85	G	95.6	Very high	98.1	Very high	74 Å²	74	54.5 Å²	54.5	76%	0.763	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-23.3	176.3	0	0	0	0	0	113.8	S82 N87	S82-G85 PolarHBondContact O-N 3.19Å; G85-N87 VanDerWaalsContact C-N 3.3Å
86	R	97.2	Very high	98.1	Very high	190 Å²	190	53.9 Å²	53.9	72%	0.717	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	7.8	172.7	-62.3	174.5	-173.8	159.2	3.9	113.2	S82 E83 Y84 N88	S82-R86 PolarHBondContact O-N 3.28Å; E83-R86 CarbonylContact O-C 3.51Å; E83-R86 PolarHBondContact O-N 2.63Å; Y84-R86 PolarHBondContact O-N 3.38Å; R86-N88 PolarHBondContact O-N 3.35Å
87	N	96.4	Very high	98.1	Very high	92 Å²	92	50 Å²	50	49%	0.492	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	18.5	-175.1	-157.6	52.2	0	0	0	114.4	E83 Y84 G85 I89 K171	E83-N87 PolarHBondContact O-N 3.18Å; Y84-N87 WeakPolarHBondContact O-CA 3.48Å; Y84-N87 PolarHBondContact O-N 3.45Å; G85-N87 VanDerWaalsContact C-N 3.3Å; N87-I89 PolarHBondContact O-N 3.12Å; N87-K171 PolarHBondContact OD1-NZ 3.25Å
88	N	98.1	Very high	98.1	Very high	79 Å²	79	49.3 Å²	49.3	42%	0.422	25%	0.251	S	S	.	.			trans	-90.1	61	170	-170.7	6.8	0	0	0	109.9	E83 R86 K90 E91 A92	E83-N88 HydrophobicContact CB-CB 4.24Å; E83-N88 CarbonylContact O-C 3.38Å; E83-N88 WeakPolarHBondContact O-CA 3.5Å; E83-N88 PolarHBondContact O-N 2.73Å; R86-N88 PolarHBondContact O-N 3.35Å; N88-K90 PolarHBondContact O-N 3.33Å; N88-E91 WeakPolarHBondContact ND2-CB 3.4Å; N88-E91 PolarHBondContact O-N 3.47Å; N88-E91 VanDerWaalsContact O-N 3.07Å; N88-A92 PolarHBondContact O-N 3.42Å
89	I	98.5	Very high	98.1	Very high	1 Å²	1	51 Å²	51	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-30.7	-173.2	-61.7	171.8	0	0	0	111.6	Y84 N87 E91 A92 I93 L169 K171 Y176	Y84-I89 HydrophobicContact CD2-CG1 4.15Å; Y84-I89 HydrophobicContact CE2-CD1 4.47Å; Y84-I89 HydrophobicContact CE2-CG1 4.23Å; Y84-I89 HydrophobicContact CE2-CG2 4.49Å; N87-I89 PolarHBondContact O-N 3.12Å; I89-E91 VanDerWaalsContact C-N 3.31Å; I89-E91 PolarHBondContact O-N 2.58Å; I89-A92 PolarHBondContact O-N 2.88Å; I89-I93 HydrophobicContact CG2-CD1 3.92Å; I89-I93 HydrophobicContact CG2-CG1 4.33Å; I89-I93 VanDerWaalsContact O-CG1 3.31Å; I89-I93 WeakPolarHBondContact O-CG1 3.41Å; I89-I93 PolarHBondContact O-N 2.86Å; I89-L169 HydrophobicContact CG2-CD1 4.3Å; I89-L169 HydrophobicContact CG2-CD2 4.15Å; I89-K171 HydrophobicContact CD1-CD 3.68Å; I89-Y176 HydrophobicContact CB-CD1 3.96Å; I89-Y176 HydrophobicContact CB-CE1 3.68Å; I89-Y176 HydrophobicContact CB-CE2 4.34Å; I89-Y176 HydrophobicContact CB-CG 4.43Å; I89-Y176 HydrophobicContact CD1-CE1 4.49Å; I89-Y176 HydrophobicContact CD1-CE2 3.84Å; I89-Y176 HydrophobicContact CG2-CD1 3.77Å; I89-Y176 HydrophobicContact CG2-CD2 4.03Å; I89-Y176 HydrophobicContact CG2-CE1 4Å; I89-Y176 HydrophobicContact CG2-CE2 4.23Å; I89-Y176 HydrophobicContact CG2-CG 3.82Å
90	K	98.6	Very high	98.1	Very high	107 Å²	107	49 Å²	49	47%	0.465	25%	0.253	S	S	.	.	H	α-helix	trans	-55.6	-48.8	174.4	-173.6	-177.5	176.8	176.9	0	111.2	N88 R94 V257 V259	N88-K90 PolarHBondContact O-N 3.33Å; K90-R94 PolarHBondContact O-N 3.23Å; K90-V257 HydrophobicContact CB-CG1 4.36Å; K90-V257 WeakPolarHBondContact CE-O 3.41Å; K90-V257 HydrophobicContact CG-CB 3.77Å; K90-V257 HydrophobicContact CG-CG1 3.74Å; K90-V259 HydrophobicContact CB-CG2 4.19Å; K90-V259 HydrophobicContact CD-CG2 4.32Å; K90-V259 HydrophobicContact CG-CG2 4.2Å
91	E	98.6	Very high	98.2	Very high	49 Å²	49	43.3 Å²	43.3	23%	0.229	23%	0.227	C	C	.	.	H	α-helix	trans	-74.9	-35.3	-179.4	-165.6	60.8	-162.2	0	0	112	E83 N88 I89 I93 R94 H95	E83-E91 HydrophobicContact CB-CB 4.21Å; E83-E91 HydrophobicContact CG-CB 4.02Å; E83-E91 HydrophobicContact CG-CG 3.87Å; N88-E91 WeakPolarHBondContact ND2-CB 3.4Å; N88-E91 PolarHBondContact O-N 3.47Å; N88-E91 VanDerWaalsContact O-N 3.07Å; I89-E91 VanDerWaalsContact C-N 3.31Å; I89-E91 PolarHBondContact O-N 2.58Å; E91-I93 VanDerWaalsContact C-N 3.3Å; E91-I93 PolarHBondContact O-N 2.9Å; E91-R94 PolarHBondContact O-N 3.39Å; E91-R94 VanDerWaalsContact O-N 3.14Å; E91-R94 IonicContact OE1-CZ 3.32Å; E91-R94 IonicContact OE1-NE 3.59Å; E91-R94 PolarHBondContact OE1-NE 2.89Å; E91-R94 IonicContact OE1-NH2 2.65Å; E91-R94 PolarHBondContact OE1-NH2 2.84Å; E91-R94 IonicContact OE2-NE 2.67Å; E91-R94 PolarHBondContact OE2-NE 2.95Å; E91-H95 PolarHBondContact O-N 2.8Å; E91-H95 IonicContact OE1-CD2 3.79Å; E91-H95 IonicContact OE1-CE1 3.17Å; E91-H95 IonicContact OE1-NE2 2.86Å; E91-H95 PolarHBondContact OE1-NE2 3.09Å
92	A	98.8	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.9	-43.9	172.6	0	0	0	0	0	112	I78 Q81 E83 Y84 N88 I89 A96	I78-A92 HydrophobicContact CG2-CB 4.44Å; Q81-A92 HydrophobicContact CB-CB 3.91Å; Q81-A92 HydrophobicContact CG-CB 4.35Å; Q81-A92 WeakPolarHBondContact CG-O 3.5Å; E83-A92 HydrophobicContact CB-CB 4.11Å; Y84-A92 HydrophobicContact CD2-CB 4.27Å; N88-A92 PolarHBondContact O-N 3.42Å; I89-A92 PolarHBondContact O-N 2.88Å; A92-A96 WeakPolarHBondContact O-CB 3.25Å; A92-A96 PolarHBondContact O-N 2.99Å
93	I	98.9	Very high	98	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-48	174.8	-69.1	162.6	0	0	0	110.5	I78 I89 E91 H95 A96 F97 I167 Y176 P255 V257	I78-I93 HydrophobicContact CD1-CG1 4.15Å; I78-I93 HydrophobicContact CG1-CG1 4.36Å; I78-I93 HydrophobicContact CG2-CG1 4.27Å; I89-I93 HydrophobicContact CG2-CD1 3.92Å; I89-I93 HydrophobicContact CG2-CG1 4.33Å; I89-I93 VanDerWaalsContact O-CG1 3.31Å; I89-I93 WeakPolarHBondContact O-CG1 3.41Å; I89-I93 PolarHBondContact O-N 2.86Å; E91-I93 VanDerWaalsContact C-N 3.3Å; E91-I93 PolarHBondContact O-N 2.9Å; I93-H95 PolarHBondContact O-N 3.11Å; I93-A96 PolarHBondContact O-N 3.37Å; I93-F97 HydrophobicContact CG2-CD2 4.02Å; I93-F97 HydrophobicContact CG2-CE2 3.79Å; I93-F97 WeakPolarHBondContact O-CD2 3.31Å; I93-F97 PolarHBondContact O-N 2.97Å; I93-F97 VanDerWaalsContact O-N 3.09Å; I93-I167 HydrophobicContact CD1-CD1 3.97Å; I93-I167 HydrophobicContact CG1-CD1 4.24Å; I93-I167 HydrophobicContact CG2-CD1 4.41Å; I93-I167 HydrophobicContact CG2-CG1 4.5Å; I93-Y176 HydrophobicContact CD1-CG 4.41Å; I93-P255 HydrophobicContact CG2-CG 4.33Å; I93-V257 HydrophobicContact CB-CG2 4.24Å; I93-V257 HydrophobicContact CD1-CG1 4.08Å; I93-V257 HydrophobicContact CG2-CG1 4.48Å; I93-V257 HydrophobicContact CG2-CG2 3.81Å
94	R	98.8	Very high	97.8	Very high	55 Å²	55	42.9 Å²	42.9	21%	0.208	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-49.7	-179.5	-164.3	-170.6	71.8	81.4	-4.6	112.2	K90 E91 F97 L98 E247 N254 P255	K90-R94 PolarHBondContact O-N 3.23Å; E91-R94 PolarHBondContact O-N 3.39Å; E91-R94 VanDerWaalsContact O-N 3.14Å; E91-R94 IonicContact OE1-CZ 3.32Å; E91-R94 IonicContact OE1-NE 3.59Å; E91-R94 PolarHBondContact OE1-NE 2.89Å; E91-R94 IonicContact OE1-NH2 2.65Å; E91-R94 PolarHBondContact OE1-NH2 2.84Å; E91-R94 IonicContact OE2-NE 2.67Å; E91-R94 PolarHBondContact OE2-NE 2.95Å; R94-F97 PolarHBondContact O-N 2.93Å; R94-L98 HydrophobicContact CG-CD1 4.46Å; R94-L98 PolarHBondContact O-N 2.79Å; R94-E247 IonicContact CZ-OE1 3.41Å; R94-E247 IonicContact NH1-OE1 2.76Å; R94-E247 PolarHBondContact NH1-OE1 3.45Å; R94-N254 WeakPolarHBondContact CG-OD1 3.37Å; R94-P255 HydrophobicContact CB-CG 4.46Å; R94-P255 HydrophobicContact CG-CG 4.43Å
95	H	98.8	Very high	97.5	Very high	51 Å²	51	44.6 Å²	44.6	24%	0.236	24%	0.235	C	C	.	.	H	α-helix	trans	-65.7	-38.4	178.6	-74.4	176.8	0	0	0	112.4	Q81 E83 E91 I93 F97 L98 S99	Q81-H95 HydrophobicContact CG-CB 4.06Å; E83-H95 IonicContact OE1-CE1 2.92Å; E83-H95 PolarHBondContact OE1-CE1 3.38Å; E83-H95 IonicContact OE1-ND1 3.23Å; E83-H95 PolarHBondContact OE1-ND1 3.49Å; E83-H95 IonicContact OE2-ND1 3.75Å; E91-H95 PolarHBondContact O-N 2.8Å; E91-H95 IonicContact OE1-CD2 3.79Å; E91-H95 IonicContact OE1-CE1 3.17Å; E91-H95 IonicContact OE1-NE2 2.86Å; E91-H95 PolarHBondContact OE1-NE2 3.09Å; I93-H95 PolarHBondContact O-N 3.11Å; H95-F97 PolarHBondContact O-N 2.96Å; H95-L98 PolarHBondContact O-N 3.34Å; H95-S99 VanDerWaalsContact O-CB 3.3Å; H95-S99 WeakPolarHBondContact O-CB 3.41Å; H95-S99 PolarHBondContact O-N 3.02Å; H95-S99 PolarHBondContact O-OG 3.4Å
96	A	98.8	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.9	-42.4	177.8	0	0	0	0	0	112.3	L74 K77 I78 Q81 A92 I93 S99 M100	L74-A96 HydrophobicContact CD1-CB 4.09Å; K77-A96 HydrophobicContact CB-CB 3.98Å; I78-A96 HydrophobicContact CB-CB 4.21Å; I78-A96 HydrophobicContact CG1-CB 3.49Å; I78-A96 VanDerWaalsContact CG1-CB 3.49Å; Q81-A96 HydrophobicContact CG-CB 4.16Å; A92-A96 WeakPolarHBondContact O-CB 3.25Å; A92-A96 PolarHBondContact O-N 2.99Å; I93-A96 PolarHBondContact O-N 3.37Å; A96-S99 WeakPolarHBondContact CA-OG 3.22Å; A96-S99 PolarHBondContact O-OG 3.03Å; A96-M100 WeakPolarHBondContact O-CB 3.49Å; A96-M100 PolarHBondContact O-N 2.78Å
97	F	98.9	Very high	96.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-50.4	174.6	-87.3	-119.9	0	0	0	111.3	L74 I93 R94 H95 D101 I167 A180 F233 A253 P255	L74-F97 HydrophobicContact CD1-CD2 3.71Å; L74-F97 HydrophobicContact CD1-CE2 3.98Å; L74-F97 HydrophobicContact CD1-CG 4.42Å; L74-F97 HydrophobicContact CD2-CD2 4.09Å; L74-F97 HydrophobicContact CD2-CE1 4.48Å; L74-F97 HydrophobicContact CD2-CE2 3.58Å; L74-F97 HydrophobicContact CD2-CZ 3.8Å; L74-F97 HydrophobicContact CG-CD2 4.47Å; L74-F97 HydrophobicContact CG-CE2 4.25Å; I93-F97 HydrophobicContact CG2-CD2 4.02Å; I93-F97 HydrophobicContact CG2-CE2 3.79Å; I93-F97 WeakPolarHBondContact O-CD2 3.31Å; I93-F97 PolarHBondContact O-N 2.97Å; I93-F97 VanDerWaalsContact O-N 3.09Å; R94-F97 PolarHBondContact O-N 2.93Å; H95-F97 PolarHBondContact O-N 2.96Å; F97-D101 VanDerWaalsContact O-CB 3.29Å; F97-D101 WeakPolarHBondContact O-CB 3.31Å; F97-D101 PolarHBondContact O-N 2.71Å; F97-I167 HydrophobicContact CE2-CG1 4.14Å; F97-I167 HydrophobicContact CE2-CG2 4.26Å; F97-I167 HydrophobicContact CZ-CG1 4.28Å; F97-I167 HydrophobicContact CZ-CG2 4Å; F97-A180 HydrophobicContact CD1-CB 3.95Å; F97-A180 HydrophobicContact CE1-CB 3.82Å; F97-F233 HydrophobicContact CB-CE1 4.12Å; F97-F233 HydrophobicContact CB-CZ 4.06Å; F97-F233 AromaticContact CD1-CE1 3.9Å; F97-F233 HydrophobicContact CD1-CE1 3.9Å; F97-F233 AromaticContact CD1-CE2 3.7Å; F97-F233 HydrophobicContact CD1-CE2 3.7Å; F97-F233 AromaticContact CD1-CZ 3.16Å; F97-F233 HydrophobicContact CD1-CZ 3.16Å; F97-F233 HydrophobicContact CD2-CZ 4.2Å; F97-F233 AromaticContact CE1-CE2 3.64Å; F97-F233 HydrophobicContact CE1-CE2 3.64Å; F97-F233 AromaticContact CE1-CZ 3.55Å; F97-F233 HydrophobicContact CE1-CZ 3.55Å; F97-F233 HydrophobicContact CG-CE1 4.11Å; F97-F233 HydrophobicContact CG-CE2 4.45Å; F97-F233 AromaticContact CG-CZ 3.54Å; F97-F233 HydrophobicContact CG-CZ 3.54Å; F97-F233 HydrophobicContact CZ-CE2 4.37Å; F97-F233 HydrophobicContact CZ-CZ 4.24Å; F97-F233 WeakPolarHBondContact O-CE1 3.45Å; F97-A253 WeakPolarHBondContact CD1-O 3.13Å; F97-P255 HydrophobicContact CB-CG 3.88Å; F97-P255 HydrophobicContact CD1-CB 3.78Å; F97-P255 HydrophobicContact CD1-CG 3.9Å; F97-P255 HydrophobicContact CD2-CB 4.4Å; F97-P255 HydrophobicContact CD2-CG 3.93Å; F97-P255 HydrophobicContact CE1-CB 3.9Å; F97-P255 HydrophobicContact CE1-CG 4.4Å; F97-P255 HydrophobicContact CE2-CB 4.47Å; F97-P255 HydrophobicContact CE2-CG 4.4Å; F97-P255 HydrophobicContact CG-CB 4.05Å; F97-P255 HydrophobicContact CG-CG 3.64Å; F97-P255 HydrophobicContact CZ-CB 4.23Å
98	L	98.7	Very high	96.2	Very high	19 Å²	19	36 Å²	36	10%	0.099	19%	0.187	C	C	.	.	H	α-helix	trans	-67.5	-42.6	-176.6	-69.8	170.8	0	0	0	113.3	R94 H95 A102 A246 E247 N254	R94-L98 HydrophobicContact CG-CD1 4.46Å; R94-L98 PolarHBondContact O-N 2.79Å; H95-L98 PolarHBondContact O-N 3.34Å; L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 3.37Å; L98-A246 HydrophobicContact CD2-CB 3.99Å; L98-E247 HydrophobicContact CD1-CG 3.72Å; L98-E247 WeakPolarHBondContact CD1-OE1 2.83Å; L98-E247 HydrophobicContact CD2-CG 4.31Å; L98-N254 HydrophobicContact CD2-CB 3.93Å
99	S	98.2	Very high	95.2	Very high	36 Å²	36	33.2 Å²	33.2	25%	0.252	17%	0.173	S	C	.	.	H	α-helix	trans	-67.5	-45.7	178.9	53.8	0	0	0	0	111.8	H95 A96 D101 A102 E103	H95-S99 VanDerWaalsContact O-CB 3.3Å; H95-S99 WeakPolarHBondContact O-CB 3.41Å; H95-S99 PolarHBondContact O-N 3.02Å; H95-S99 PolarHBondContact O-OG 3.4Å; A96-S99 WeakPolarHBondContact CA-OG 3.22Å; A96-S99 PolarHBondContact O-OG 3.03Å; S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 PolarHBondContact O-N 2.75Å; S99-A102 PolarHBondContact O-N 2.82Å; S99-E103 WeakPolarHBondContact O-CG 3.13Å; S99-E103 PolarHBondContact O-N 3.49Å
100	M	98.3	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-61.4	-41.4	176.2	-172.8	-178.1	64.7	0	0	111.2	A70 H73 L74 K77 A96 A102 E103 M104 F233	A70-M100 HydrophobicContact CB-CE 3.76Å; H73-M100 HydrophobicContact CB-SD 4.4Å; L74-M100 HydrophobicContact CB-CE 3.84Å; L74-M100 HydrophobicContact CB-SD 3.82Å; L74-M100 HydrophobicContact CD1-CE 3.78Å; L74-M100 HydrophobicContact CD1-SD 4.24Å; L74-M100 HydrophobicContact CD2-CE 4.26Å; L74-M100 HydrophobicContact CG-CE 4.16Å; K77-M100 HydrophobicContact CG-CB 4.24Å; K77-M100 HydrophobicContact CG-CG 4.41Å; A96-M100 WeakPolarHBondContact O-CB 3.49Å; A96-M100 PolarHBondContact O-N 2.78Å; M100-A102 PolarHBondContact O-N 3.16Å; M100-E103 PolarHBondContact O-N 3.17Å; M100-M104 HydrophobicContact CE-CE 3.68Å; M100-M104 HydrophobicContact CG-CE 3.83Å; M100-M104 VanDerWaalsContact O-CG 3.3Å; M100-M104 WeakPolarHBondContact O-CG 3.47Å; M100-M104 PolarHBondContact O-N 2.92Å; M100-M104 HydrophobicContact SD-CE 3.84Å; M100-F233 HydrophobicContact CE-CD1 3.72Å; M100-F233 HydrophobicContact CE-CD2 4.45Å; M100-F233 HydrophobicContact CE-CE1 3.14Å; M100-F233 HydrophobicContact CE-CE2 3.95Å; M100-F233 HydrophobicContact CE-CG 4.34Å; M100-F233 HydrophobicContact CE-CZ 3.26Å
101	D	98.1	Very high	92.7	Very high	9 Å²	9	36 Å²	36	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-63.4	-40.6	176.9	-170.2	66.6	0	0	0	112.6	F97 S99 M104 Q105 F233 G234 K239 A253	F97-D101 VanDerWaalsContact O-CB 3.29Å; F97-D101 WeakPolarHBondContact O-CB 3.31Å; F97-D101 PolarHBondContact O-N 2.71Å; S99-D101 VanDerWaalsContact C-N 3.32Å; S99-D101 PolarHBondContact O-N 2.75Å; D101-M104 PolarHBondContact O-N 3.09Å; D101-Q105 WeakPolarHBondContact O-CB 3.45Å; D101-Q105 PolarHBondContact O-N 2.72Å; D101-F233 HydrophobicContact CB-CD1 3.98Å; D101-F233 HydrophobicContact CB-CE1 4.41Å; D101-F233 WeakPolarHBondContact OD1-CA 3.25Å; D101-G234 PolarHBondContact OD1-N 3.37Å; D101-K239 IonicContact OD1-NZ 3.11Å; D101-K239 PolarHBondContact OD1-NZ 3.44Å; D101-K239 WeakPolarHBondContact OD2-CD 3.29Å; D101-K239 WeakPolarHBondContact OD2-CE 3.2Å; D101-K239 IonicContact OD2-NZ 3.42Å; D101-K239 PolarHBondContact OD2-NZ 3.22Å; D101-A253 HydrophobicContact CB-CB 3.53Å; D101-A253 VanDerWaalsContact CG-CB 3.48Å
102	A	96.3	Very high	91.3	Very high	53 Å²	53	37 Å²	37	44%	0.438	20%	0.198	S	C	.	.	H	α-helix	trans	-65.4	-40	175	0	0	0	0	0	112.3	L98 S99 M100 Q105 S106	L98-A102 WeakPolarHBondContact O-CB 3.35Å; L98-A102 PolarHBondContact O-N 3.37Å; S99-A102 PolarHBondContact O-N 2.82Å; M100-A102 PolarHBondContact O-N 3.16Å; A102-Q105 PolarHBondContact O-N 3.43Å; A102-S106 PolarHBondContact O-N 3.19Å; A102-S106 VanDerWaalsContact O-N 3.08Å
103	E	95.2	Very high	89.8	Confident	65 Å²	65	40.6 Å²	40.6	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-60.4	-50.7	173.1	-73.4	174.2	-164.2	0	0	110.6	K77 S99 M100 Q105 S106 E107	K77-E103 WeakPolarHBondContact CE-OE2 3.37Å; K77-E103 IonicContact NZ-OE1 3.53Å; K77-E103 PolarHBondContact NZ-OE1 2.99Å; K77-E103 IonicContact NZ-OE2 3.33Å; K77-E103 PolarHBondContact NZ-OE2 2.86Å; S99-E103 WeakPolarHBondContact O-CG 3.13Å; S99-E103 PolarHBondContact O-N 3.49Å; M100-E103 PolarHBondContact O-N 3.17Å; E103-Q105 VanDerWaalsContact C-N 3.29Å; E103-Q105 PolarHBondContact O-N 2.99Å; E103-S106 PolarHBondContact O-N 3.37Å; E103-S106 PolarHBondContact O-OG 2.95Å; E103-E107 WeakPolarHBondContact O-CG 3.19Å; E103-E107 PolarHBondContact O-N 3.4Å
104	M	95	Very high	88.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58.2	-40.8	176.2	-66.5	-173.6	-166.1	0	0	111.7	V66 H69 A70 M100 D101 S106 E107 M108 F236	V66-M104 HydrophobicContact CG1-SD 3.98Å; H69-M104 HydrophobicContact CB-CE 3.94Å; H69-M104 WeakPolarHBondContact CD2-CE 3.37Å; A70-M104 HydrophobicContact CB-CE 3.82Å; M100-M104 HydrophobicContact CE-CE 3.68Å; M100-M104 HydrophobicContact CG-CE 3.83Å; M100-M104 VanDerWaalsContact O-CG 3.3Å; M100-M104 WeakPolarHBondContact O-CG 3.47Å; M100-M104 PolarHBondContact O-N 2.92Å; M100-M104 HydrophobicContact SD-CE 3.84Å; D101-M104 PolarHBondContact O-N 3.09Å; M104-S106 VanDerWaalsContact C-N 3.27Å; M104-S106 PolarHBondContact O-N 2.74Å; M104-E107 PolarHBondContact O-N 3.07Å; M104-M108 HydrophobicContact CB-CE 3.98Å; M104-M108 HydrophobicContact CB-CG 4.33Å; M104-M108 HydrophobicContact CB-SD 4Å; M104-M108 HydrophobicContact CG-CE 3.59Å; M104-M108 HydrophobicContact CG-SD 4.22Å; M104-M108 WeakPolarHBondContact O-CB 3.5Å; M104-M108 WeakPolarHBondContact O-CG 3.25Å; M104-M108 PolarHBondContact O-N 2.97Å; M104-M108 HydrophobicContact SD-CE 3.88Å; M104-M108 HydrophobicContact SD-SD 4.33Å; M104-F236 HydrophobicContact CB-CE1 4.35Å; M104-F236 HydrophobicContact CB-CZ 3.62Å
105	Q	92.5	Very high	86.1	Confident	56 Å²	56	50.7 Å²	50.7	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-59.9	-41	176.9	-168.5	172.4	28.2	0	0	111	D101 A102 E103 T109 F236 K239	D101-Q105 WeakPolarHBondContact O-CB 3.45Å; D101-Q105 PolarHBondContact O-N 2.72Å; A102-Q105 PolarHBondContact O-N 3.43Å; E103-Q105 VanDerWaalsContact C-N 3.29Å; E103-Q105 PolarHBondContact O-N 2.99Å; Q105-T109 WeakPolarHBondContact O-CB 3.48Å; Q105-T109 WeakPolarHBondContact O-CG2 3.47Å; Q105-T109 PolarHBondContact O-OG1 3.36Å; Q105-F236 VanDerWaalsContact CA-CE1 3.44Å; Q105-F236 HydrophobicContact CB-CD1 3.48Å; Q105-F236 VanDerWaalsContact CB-CD1 3.48Å; Q105-F236 HydrophobicContact CB-CE1 3.45Å; Q105-F236 VanDerWaalsContact CB-CE1 3.45Å; Q105-F236 HydrophobicContact CB-CG 4.18Å; Q105-F236 HydrophobicContact CB-CZ 4.1Å; Q105-F236 HydrophobicContact CG-CB 4.17Å; Q105-F236 HydrophobicContact CG-CD1 3.49Å; Q105-F236 VanDerWaalsContact CG-CD1 3.49Å; Q105-F236 HydrophobicContact CG-CE1 4.03Å; Q105-F236 HydrophobicContact CG-CG 3.86Å; Q105-F236 VanDerWaalsContact N-CZ 3.33Å; Q105-K239 PolarHBondContact NE2-O 3.46Å
106	S	89.3	Confident	83.6	Confident	60 Å²	60	53.5 Å²	53.5	42%	0.42	30%	0.3	S	S	.	.	H	α-helix	trans	-72.5	-29.7	-179.2	82.4	0	0	0	0	114	A102 E103 M104 T110	A102-S106 PolarHBondContact O-N 3.19Å; A102-S106 VanDerWaalsContact O-N 3.08Å; E103-S106 PolarHBondContact O-N 3.37Å; E103-S106 PolarHBondContact O-OG 2.95Å; M104-S106 VanDerWaalsContact C-N 3.27Å; M104-S106 PolarHBondContact O-N 2.74Å; S106-T110 PolarHBondContact O-OG1 3.15Å
107	E	86.5	Confident	80.9	Confident	109 Å²	109	59.7 Å²	59.7	51%	0.509	34%	0.338	S	S	.	.	H	α-helix	trans	-97	-43.4	-174.3	-69	-175.5	175.2	0	0	113.1	E103 M104	E103-E107 WeakPolarHBondContact O-CG 3.19Å; E103-E107 PolarHBondContact O-N 3.4Å; M104-E107 PolarHBondContact O-N 3.07Å
108	M	84.9	Confident	78.1	Confident	6 Å²	6	65.5 Å²	65.5	3%	0.03	38%	0.376	C	S	.	.	H	α-helix	trans	-83.3	-24.2	-171.6	-59.5	-171.8	-177.7	0	0	112.9	V66 H69 M104 T110 D158 F236	V66-M108 HydrophobicContact CG2-SD 4.09Å; H69-M108 HydrophobicContact CB-CE 3.51Å; M104-M108 HydrophobicContact CB-CE 3.98Å; M104-M108 HydrophobicContact CB-CG 4.33Å; M104-M108 HydrophobicContact CB-SD 4Å; M104-M108 HydrophobicContact CG-CE 3.59Å; M104-M108 HydrophobicContact CG-SD 4.22Å; M104-M108 WeakPolarHBondContact O-CB 3.5Å; M104-M108 WeakPolarHBondContact O-CG 3.25Å; M104-M108 PolarHBondContact O-N 2.97Å; M104-M108 HydrophobicContact SD-CE 3.88Å; M104-M108 HydrophobicContact SD-SD 4.33Å; M108-T110 VanDerWaalsContact C-N 3.28Å; M108-T110 PolarHBondContact O-N 3.35Å; M108-D158 HydrophobicContact CB-CB 4.37Å; M108-F236 HydrophobicContact CB-CE2 4.25Å
109	T	77.9	Confident	75.1	Confident	21 Å²	21	74.1 Å²	74.1	13%	0.129	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	3.9	178.6	68.2	0	0	0	0	113.2	Q105 P154 N155 F236	Q105-T109 WeakPolarHBondContact O-CB 3.48Å; Q105-T109 WeakPolarHBondContact O-CG2 3.47Å; Q105-T109 PolarHBondContact O-OG1 3.36Å; T109-P154 CarbonylContact O-C 3.49Å; T109-P154 VanDerWaalsContact O-CA 3.25Å; T109-P154 WeakPolarHBondContact O-CA 3.31Å; T109-N155 PolarHBondContact O-N 3.19Å; T109-F236 HydrophobicContact CG2-CB 4.09Å; T109-F236 HydrophobicContact CG2-CD2 3.54Å; T109-F236 HydrophobicContact CG2-CE2 4.24Å; T109-F236 HydrophobicContact CG2-CG 4Å
110	T	76	Confident	72.2	Confident	35 Å²	35	80.2 Å²	80.2	22%	0.215	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.5	-179.4	65.4	0	0	0	0	113.1	S106 M108 K152 I153	S106-T110 PolarHBondContact O-OG1 3.15Å; M108-T110 VanDerWaalsContact C-N 3.28Å; M108-T110 PolarHBondContact O-N 3.35Å; T110-K152 HydrophobicContact CG2-CB 4.12Å; T110-K152 HydrophobicContact CG2-CD 4.23Å; T110-K152 WeakPolarHBondContact OG1-CD 3.25Å; T110-I153 CarbonylContact C-O 3.59Å; T110-I153 VanDerWaalsContact CA-O 3.26Å; T110-I153 WeakPolarHBondContact CA-O 3.34Å
111	Y	67.8	Low	69.2	Low	131 Å²	131	87.5 Å²	87.5	51%	0.514	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	138.6	164.9	-69.2	-63.6	0	0	0	110.5	K152 I153 N155	Y111-K152 CarbonylContact O-C 3.56Å; Y111-K152 WeakPolarHBondContact O-CA 3.24Å; Y111-I153 PolarHBondContact N-O 3.38Å; Y111-I153 PolarHBondContact O-N 3.04Å; Y111-N155 HydrophobicContact CD2-CB 3.65Å; Y111-N155 HydrophobicContact CE2-CB 3.38Å; Y111-N155 VanDerWaalsContact CE2-ND2 3.3Å; Y111-N155 WeakPolarHBondContact CE2-ND2 3.21Å; Y111-N155 WeakPolarHBondContact CE2-OD1 3.37Å; Y111-N155 PolarHBondContact OH-ND2 2.83Å
112	S	69.2	Low	66.3	Low	72 Å²	72	92.5 Å²	92.5	50%	0.503	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.3	172	-65.3	0	0	0	0	110.9	L151	S112-L151 WeakPolarHBondContact CA-O 3.48Å
113	V	68.1	Low	63.4	Low	74 Å²	74	94.9 Å²	94.9	45%	0.448	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.7	165.4	-177.6	0	0	0	0	108	L151 I153	V113-L151 PolarHBondContact N-O 3.06Å; V113-L151 PolarHBondContact O-N 3.29Å; V113-I153 HydrophobicContact CG2-CD1 3.53Å; V113-I153 HydrophobicContact CG2-CG1 4.26Å
114	K	64.5	Low	60.5	Low	173 Å²	173	98 Å²	98	75%	0.752	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-76	129.8	162.7	-69.6	-174.1	-179.7	-179.4	0	107.4	S116	K114-S116 PolarHBondContact O-N 3.29Å; K114-S116 VanDerWaalsContact O-N 3.14Å
115	P	55.9	Low	57.3	Low	94 Å²	94	105.6 Å²	105.6	61%	0.61	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-57.2	122.8	170.6	-6	12.4	0	0	0	108.6	T117	P115-T117 PolarHBondContact O-N 3.39Å
116	S	45.5	Very low	54.6	Low	111 Å²	111	110.4 Å²	110.4	78%	0.776	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-63.9	122.9	167.5	46.5	0	0	0	0	107.7	K114 P118	K114-S116 PolarHBondContact O-N 3.29Å; K114-S116 VanDerWaalsContact O-N 3.14Å; S116-P118 WeakPolarHBondContact O-CD 3.46Å
117	T	43.3	Very low	51.6	Low	130 Å²	130	114.1 Å²	114.1	80%	0.798	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-63.5	123.1	167.8	40.2	0	0	0	0	107.7	P115 K119	P115-T117 PolarHBondContact O-N 3.39Å; T117-K119 PolarHBondContact O-N 2.95Å
118	P	39.8	Very low	49	Very low	121 Å²	121	112.3 Å²	112.3	79%	0.786	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-61.4	126	171.2	-14.2	27	0	0	0	107.6	S116 L120	S116-P118 WeakPolarHBondContact O-CD 3.46Å; P118-L120 PolarHBondContact O-N 2.94Å
119	K	36	Very low	46.2	Very low	200 Å²	200	119 Å²	119	87%	0.87	69%	0.692	S	S	*	*			trans	-60.8	113	165.7	-74.1	-176.4	178.1	179.5	0	106.6	T117 D121	T117-K119 PolarHBondContact O-N 2.95Å; K119-D121 PolarHBondContact O-N 3.43Å; K119-D121 VanDerWaalsContact O-N 3.14Å
120	L	37.3	Very low	43.9	Very low	165 Å²	165	121.7 Å²	121.7	86%	0.864	73%	0.725	S	S	*	*			trans	-71.6	102.8	174.4	-163.3	80.2	0	0	0	107.1	P118 S122	P118-L120 PolarHBondContact O-N 2.94Å; L120-S122 PolarHBondContact O-N 2.99Å; L120-S122 VanDerWaalsContact O-N 3.09Å
121	D	35.4	Very low	41.7	Very low	152 Å²	152	125.8 Å²	125.8	81%	0.813	76%	0.755	S	S	*	*			trans	-66.9	108.1	170.7	-84.4	-18.6	0	0	0	108.8	K119 S123	K119-D121 PolarHBondContact O-N 3.43Å; K119-D121 VanDerWaalsContact O-N 3.14Å; D121-S123 PolarHBondContact O-N 3.02Å; D121-S123 VanDerWaalsContact O-N 3.08Å
122	S	35.2	Very low	39.7	Very low	114 Å²	114	125.6 Å²	125.6	80%	0.797	77%	0.767	S	S	*	*			trans	-74.4	89.9	175.4	56.1	0	0	0	0	109.8	L120	L120-S122 PolarHBondContact O-N 2.99Å; L120-S122 VanDerWaalsContact O-N 3.09Å
123	S	35.9	Very low	37.9	Very low	104 Å²	104	129.1 Å²	129.1	73%	0.727	79%	0.785	S	S	*	*			trans	-172.1	79.2	152.8	47.8	0	0	0	0	112.6	D121	D121-S123 PolarHBondContact O-N 3.02Å; D121-S123 VanDerWaalsContact O-N 3.08Å
124	V	34.1	Very low	36	Very low	130 Å²	130	130 Å²	130	79%	0.788	80%	0.801	S	S	*	*			trans	-135.6	99.8	151.5	-143.1	0	0	0	0	108.4	L126	V124-L126 HydrophobicContact CG1-CD1 4.05Å; V124-L126 PolarHBondContact O-N 2.74Å
125	N	28	Very low	34.3	Very low	159 Å²	159	130.3 Å²	130.3	85%	0.85	81%	0.809	S	S	*	*			trans	-68.5	113	169	-74.9	-32	0	0	0	108
126	L	35.1	Very low	32.8	Very low	157 Å²	157	135 Å²	135	82%	0.822	82%	0.82	S	S	*	*			trans	-117.5	104.9	158.3	-96.4	96.2	0	0	0	110	V124	V124-L126 HydrophobicContact CG1-CD1 4.05Å; V124-L126 PolarHBondContact O-N 2.74Å
127	T	27.3	Very low	31.7	Very low	138 Å²	138	136.7 Å²	136.7	85%	0.847	82%	0.82	S	S	*	*			trans	-64.6	132.8	159.2	50.2	0	0	0	0	109.9
128	G	31.4	Very low	31	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	82%	0.819	S	S	*	*			trans	163.3	74.5	168.7	0	0	0	0	0	115.8
129	T	26.3	Very low	30.2	Very low	146 Å²	146	136.8 Å²	136.8	90%	0.896	82%	0.823	S	S	*	*			trans	5	125.4	144.9	55.9	0	0	0	0	118.6
130	G	29.9	Very low	29.9	Very low	79 Å²	79	133.3 Å²	133.3	81%	0.814	82%	0.818	S	S	*	*			trans	175.7	79	166.1	0	0	0	0	0	116.9
131	S	29.9	Very low	29.3	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	82%	0.815	S	S	*	*			trans	39.4	118.2	154.6	-146.9	0	0	0	0	122.4
132	V	25.5	Very low	28.7	Very low	127 Å²	127	132.5 Å²	132.5	77%	0.77	82%	0.815	S	S	*	*			trans	-56.9	135.7	162.7	178.7	0	0	0	0	112.6
133	V	31.4	Very low	28.6	Very low	146 Å²	146	135.2 Å²	135.2	89%	0.885	81%	0.814	S	S	*	*			trans	-143.6	120.7	146	-111.6	0	0	0	0	109.1
134	A	27.7	Very low	28.3	Very low	93 Å²	93	136.1 Å²	136.1	77%	0.769	81%	0.811	S	S	*	*			trans	-81	130.3	-176.1	0	0	0	0	0	111.2
135	L	28.5	Very low	28.4	Very low	179 Å²	179	134.7 Å²	134.7	94%	0.937	81%	0.807	S	S	*	*			trans	-121.4	129.8	162.7	-79.7	166.1	0	0	0	109.2
136	K	25.6	Very low	28.9	Very low	192 Å²	192	135.6 Å²	135.6	84%	0.835	80%	0.803	S	S	*	*			trans	-74.9	144.9	-173.9	-80.2	172.9	165.8	179.1	0	112.6
137	D	22.7	Very low	29.2	Very low	147 Å²	147	132.2 Å²	132.2	79%	0.786	80%	0.798	S	S	*	*			trans	40.4	99.5	141.8	-62.1	-27.1	0	0	0	118.2
138	S	28.5	Very low	30.3	Very low	110 Å²	110	130.4 Å²	130.4	77%	0.769	79%	0.791	S	S	*	*			trans	-148.3	115.3	130.9	32	0	0	0	0	109.5	V140	S138-V140 PolarHBondContact O-N 2.8Å
139	T	23.5	Very low	31.5	Very low	143 Å²	143	134.8 Å²	134.8	88%	0.877	79%	0.79	S	S	*	*			trans	-64	106.5	173.7	45.7	0	0	0	0	109.3
140	V	28.6	Very low	33.2	Very low	126 Å²	126	130.5 Å²	130.5	76%	0.764	77%	0.766	S	S	*	*			trans	-111.3	111.9	164.1	-176.4	0	0	0	0	106.8	S138 T142	S138-V140 PolarHBondContact O-N 2.8Å; V140-T142 PolarHBondContact O-N 2.93Å
141	E	24.7	Very low	35.1	Very low	169 Å²	169	131.5 Å²	131.5	79%	0.79	75%	0.752	S	S	*	*			trans	-55.9	123.3	179.9	-67.2	179.6	155.4	0	0	110.6	H143	E141-H143 PolarHBondContact O-N 2.67Å
142	T	23.4	Very low	36.8	Very low	132 Å²	132	131.4 Å²	131.4	81%	0.81	74%	0.736	S	S	*	*			trans	-72.3	95.1	175.7	49.6	0	0	0	0	109.4	V140 D144	V140-T142 PolarHBondContact O-N 2.93Å; T142-D144 PolarHBondContact O-N 2.85Å
143	H	32.8	Very low	38.8	Very low	170 Å²	170	129.1 Å²	129.1	79%	0.787	72%	0.719	S	S	*	*			trans	-73.9	84.6	154.7	-83.8	-72	0	0	0	108.2	E141 S145	E141-H143 PolarHBondContact O-N 2.67Å; H143-S145 PolarHBondContact O-N 2.86Å
144	D	30	Very low	40.3	Very low	124 Å²	124	126.3 Å²	126.3	66%	0.663	70%	0.704	S	S	*	*			trans	-72.4	71.4	168.6	-165.3	15	0	0	0	109	T142	T142-D144 PolarHBondContact O-N 2.85Å
145	S	35.4	Very low	42.2	Very low	99 Å²	99	122.8 Å²	122.8	69%	0.692	67%	0.672	S	S	*	*			trans	-97.9	74	162.2	49	0	0	0	0	108	H143 A147	H143-S145 PolarHBondContact O-N 2.86Å; S145-A147 PolarHBondContact O-N 3.03Å
146	K	38.4	Very low	43.9	Very low	179 Å²	179	118.6 Å²	118.6	78%	0.778	66%	0.655	S	S	*	*			trans	-64	72.4	156.3	-77.9	174.3	-174.4	164.4	0	108.7	S148	K146-S148 PolarHBondContact O-N 2.92Å
147	A	42.5	Very low	45.9	Very low	86 Å²	86	112 Å²	112	71%	0.711	64%	0.642	S	S	*	*			trans	-60.9	105.4	162.7	0	0	0	0	0	106	S145 F149	S145-A147 PolarHBondContact O-N 3.03Å; A147-F149 PolarHBondContact O-N 2.89Å
148	S	49.7	Very low	48.6	Very low	100 Å²	100	105.7 Å²	105.7	70%	0.699	61%	0.608	S	S	*	*			trans	-60.5	102.5	171.1	57.2	0	0	0	0	107.7	K146 S150	K146-S148 PolarHBondContact O-N 2.92Å; S148-S150 PolarHBondContact O-N 2.81Å
149	F	56.3	Low	51.3	Low	163 Å²	163	102.2 Å²	102.2	72%	0.715	58%	0.58	S	S	*	*			trans	-71.4	97.8	177.6	-168.9	-97.5	0	0	0	108.4	A147 L151	A147-F149 PolarHBondContact O-N 2.89Å; F149-L151 HydrophobicContact CE1-CD1 3.93Å; F149-L151 PolarHBondContact O-N 2.82Å
150	S	61.7	Low	54.5	Low	55 Å²	55	99.9 Å²	99.9	39%	0.385	56%	0.561	S	S	.	*			trans	-79.5	113.4	170.7	56.1	0	0	0	0	108.9	S148 K152	S148-S150 PolarHBondContact O-N 2.81Å; S150-K152 PolarHBondContact O-N 2.8Å
151	L	70.9	Confident	57.7	Low	100 Å²	100	93.9 Å²	93.9	52%	0.524	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	123.3	174	-167.7	74.7	0	0	0	108.8	S112 V113 F149 I153	S112-L151 WeakPolarHBondContact CA-O 3.48Å; V113-L151 PolarHBondContact N-O 3.06Å; V113-L151 PolarHBondContact O-N 3.29Å; F149-L151 HydrophobicContact CE1-CD1 3.93Å; F149-L151 PolarHBondContact O-N 2.82Å; L151-I153 HydrophobicContact CD2-CG1 4.34Å
152	K	64.3	Low	61.2	Low	119 Å²	119	85.9 Å²	85.9	52%	0.517	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	112.1	172.7	-79.2	-171.6	172	-160.8	0	109.5	T110 Y111 S150	T110-K152 HydrophobicContact CG2-CB 4.12Å; T110-K152 HydrophobicContact CG2-CD 4.23Å; T110-K152 WeakPolarHBondContact OG1-CD 3.25Å; Y111-K152 CarbonylContact O-C 3.56Å; Y111-K152 WeakPolarHBondContact O-CA 3.24Å; S150-K152 PolarHBondContact O-N 2.8Å
153	I	68.2	Low	64.7	Low	80 Å²	80	79.6 Å²	79.6	41%	0.41	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	135.7	176.2	-56.2	-178.8	0	0	0	108.8	T110 Y111 V113 L151	T110-I153 CarbonylContact C-O 3.59Å; T110-I153 VanDerWaalsContact CA-O 3.26Å; T110-I153 WeakPolarHBondContact CA-O 3.34Å; Y111-I153 PolarHBondContact N-O 3.38Å; Y111-I153 PolarHBondContact O-N 3.04Å; V113-I153 HydrophobicContact CG2-CD1 3.53Å; V113-I153 HydrophobicContact CG2-CG1 4.26Å; L151-I153 HydrophobicContact CD2-CG1 4.34Å
154	P	62.1	Low	67.9	Low	87 Å²	87	71.5 Å²	71.5	57%	0.565	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.2	138.2	176.1	-26.1	34.9	0	0	0	112.9	T109 P156	T109-P154 CarbonylContact O-C 3.49Å; T109-P154 VanDerWaalsContact O-CA 3.25Å; T109-P154 WeakPolarHBondContact O-CA 3.31Å; P154-P156 WeakPolarHBondContact O-CD 3.38Å
155	N	69.1	Low	71.1	Confident	18 Å²	18	65.6 Å²	65.6	10%	0.096	38%	0.38	C	S	.	.			trans	-104.1	99.3	168.2	-176.3	17.4	0	0	0	110.6	T109 Y111 G157 D158	T109-N155 PolarHBondContact O-N 3.19Å; Y111-N155 HydrophobicContact CD2-CB 3.65Å; Y111-N155 HydrophobicContact CE2-CB 3.38Å; Y111-N155 VanDerWaalsContact CE2-ND2 3.3Å; Y111-N155 WeakPolarHBondContact CE2-ND2 3.21Å; Y111-N155 WeakPolarHBondContact CE2-OD1 3.37Å; Y111-N155 PolarHBondContact OH-ND2 2.83Å; N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 3.38Å; N155-G157 PolarHBondContact OD1-N 2.89Å; N155-D158 VanDerWaalsContact ND2-CG 3.33Å; N155-D158 PolarHBondContact ND2-OD2 2.81Å
156	P	64	Low	74.2	Confident	91 Å²	91	60.9 Å²	60.9	59%	0.591	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-64.6	-28.8	-175.6	-19.5	31.8	0	0	0	113.6	P154 D158 E159	P154-P156 WeakPolarHBondContact O-CD 3.38Å; P156-D158 VanDerWaalsContact C-N 3.31Å; P156-D158 PolarHBondContact O-N 3.47Å; P156-E159 WeakPolarHBondContact O-CB 3.41Å; P156-E159 PolarHBondContact O-N 3.37Å
157	G	67.5	Low	77.1	Confident	53 Å²	53	52.3 Å²	52.3	55%	0.546	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-64.8	-33.2	-172.9	0	0	0	0	0	113.6	N155	N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 3.38Å; N155-G157 PolarHBondContact OD1-N 2.89Å
158	D	78.5	Confident	79.7	Confident	16 Å²	16	48.2 Å²	48.2	9%	0.086	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-87.9	-6	-179.6	-66.8	-47.3	0	0	0	113.2	R65 M108 N155 P156 L160 A161	R65-D158 IonicContact CZ-OD1 3.03Å; R65-D158 IonicContact CZ-OD2 3.64Å; R65-D158 IonicContact NH1-OD1 3.54Å; R65-D158 PolarHBondContact NH1-OD1 3.16Å; R65-D158 IonicContact NH1-OD2 3.67Å; R65-D158 PolarHBondContact NH1-OD2 2.8Å; R65-D158 IonicContact NH2-OD2 2.79Å; M108-D158 HydrophobicContact CB-CB 4.37Å; N155-D158 VanDerWaalsContact ND2-CG 3.33Å; N155-D158 PolarHBondContact ND2-OD2 2.81Å; P156-D158 VanDerWaalsContact C-N 3.31Å; P156-D158 PolarHBondContact O-N 3.47Å; D158-L160 PolarHBondContact O-N 2.88Å; D158-A161 PolarHBondContact O-N 2.68Å
159	E	86	Confident	82.1	Confident	36 Å²	36	43.5 Å²	43.5	17%	0.168	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-69.3	-24.8	-178.6	-63.1	-165.3	171.9	0	0	113.3	P156 D235 F236 V237 R240	P156-E159 WeakPolarHBondContact O-CB 3.41Å; P156-E159 PolarHBondContact O-N 3.37Å; E159-D235 CarbonylContact O-C 3.57Å; E159-F236 PolarHBondContact O-N 3.36Å; E159-V237 PolarHBondContact O-N 2.87Å; E159-R240 IonicContact OE1-CZ 3.12Å; E159-R240 IonicContact OE1-NH1 2.91Å; E159-R240 IonicContact OE1-NH2 2.67Å; E159-R240 PolarHBondContact OE1-NH2 2.84Å; E159-R240 IonicContact OE2-CZ 2.72Å; E159-R240 IonicContact OE2-NH1 3.69Å; E159-R240 PolarHBondContact OE2-NH1 2.83Å; E159-R240 IonicContact OE2-NH2 3.99Å; E159-R240 PolarHBondContact OE2-NH2 3.42Å
160	L	91.4	Very high	84.1	Confident	94 Å²	94	35.7 Å²	35.7	49%	0.492	21%	0.209	S	C	.	.	S	Bend	trans	-105.5	-4.1	179.4	-63.3	175.6	0	0	0	112.7	D158 V237	D158-L160 PolarHBondContact O-N 2.88Å; L160-V237 HydrophobicContact CD2-CB 4.39Å; L160-V237 HydrophobicContact CD2-CG1 3.65Å
161	A	94.7	Very high	85.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.008	20%	0.196	C	C	.	.			trans	-78.1	138	175.3	0	0	0	0	0	109.2	H61 G62 V66 D158 G234 D235	H61-A161 CarbonylContact O-C 3.59Å; H61-A161 VanDerWaalsContact O-CA 3.27Å; H61-A161 WeakPolarHBondContact O-CA 3.46Å; G62-A161 WeakPolarHBondContact O-CB 3.42Å; V66-A161 HydrophobicContact CG2-CB 4.19Å; D158-A161 PolarHBondContact O-N 2.68Å; A161-G234 CarbonylContact O-C 3.5Å; A161-G234 WeakPolarHBondContact O-CA 3.41Å; A161-D235 PolarHBondContact O-N 2.86Å
162	G	97.3	Very high	87	Confident	0 Å²	0	34 Å²	34	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	176.7	-179.2	0	0	0	0	0	111.9	H61 F233	H61-G162 PolarHBondContact N-O 2.79Å; H61-G162 WeakPolarHBondContact NE2-CA 3.46Å; H61-G162 PolarHBondContact NE2-N 2.78Å; H61-G162 PolarHBondContact O-N 3.16Å; G162-F233 CarbonylContact C-O 3.51Å; G162-F233 WeakPolarHBondContact CA-O 3.25Å
163	S	98.5	Very high	88.4	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	145.5	171.9	-168.5	0	0	0	0	111.6	F58 D59 A67 A232 F233	F58-S163 WeakPolarHBondContact CB-OG 3.3Å; D59-S163 VanDerWaalsContact C-OG 3.28Å; D59-S163 CarbonylContact O-C 3.52Å; D59-S163 WeakPolarHBondContact O-CA 3.46Å; D59-S163 WeakPolarHBondContact O-CB 3.28Å; D59-S163 PolarHBondContact O-OG 2.93Å; A67-S163 WeakPolarHBondContact CB-OG 3.21Å; S163-A232 CarbonylContact O-C 3.53Å; S163-A232 WeakPolarHBondContact O-CA 3.35Å; S163-A232 WeakPolarHBondContact O-CB 3.39Å; S163-F233 PolarHBondContact N-O 3.13Å; S163-F233 PolarHBondContact O-N 3.47Å
164	T	98.8	Very high	89.9	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.			trans	-63	167.6	162.8	75.6	0	0	0	0	110.2	F58 D59 A180 D182 S183 L229	F58-T164 VanDerWaalsContact CD1-O 3.3Å; F58-T164 WeakPolarHBondContact CD1-O 3.46Å; D59-T164 HydrophobicContact CB-CG2 3.9Å; D59-T164 WeakPolarHBondContact CB-OG1 3.3Å; D59-T164 PolarHBondContact N-OG1 3.49Å; D59-T164 PolarHBondContact O-N 3.31Å; T164-A180 CarbonylContact C-O 3.55Å; T164-A180 VanDerWaalsContact CA-O 3.25Å; T164-A180 WeakPolarHBondContact CA-O 3.47Å; T164-D182 WeakPolarHBondContact CG2-OD1 3.5Å; T164-S183 PolarHBondContact OG1-OG 2.86Å; T164-L229 HydrophobicContact CG2-CD1 3.87Å; T164-L229 HydrophobicContact CG2-CD2 4.3Å
165	G	98.8	Very high	91.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	110.1	165.9	0	0	0	0	0	111	N179 A180	G165-N179 CarbonylContact O-C 3.58Å; G165-N179 WeakPolarHBondContact O-CA 3.46Å; G165-A180 PolarHBondContact N-O 3.32Å; G165-A180 PolarHBondContact O-N 2.98Å
166	I	98.9	Very high	93	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.1	169.3	-175	70	0	0	0	108.9	S56 V57 G178 N179 S183 A185 L272	S56-I166 WeakPolarHBondContact CA-O 3.15Å; S56-I166 VanDerWaalsContact CB-O 3.25Å; S56-I166 WeakPolarHBondContact CB-O 3.47Å; V57-I166 HydrophobicContact CB-CG2 3.78Å; V57-I166 PolarHBondContact N-O 3.08Å; V57-I166 WeakPolarHBondContact O-CG2 3.37Å; V57-I166 PolarHBondContact O-N 2.99Å; I166-G178 WeakPolarHBondContact CA-O 3.24Å; I166-N179 HydrophobicContact CD1-CB 3.62Å; I166-S183 VanDerWaalsContact CG2-CB 3.46Å; I166-A185 HydrophobicContact CD1-CB 3.96Å; I166-A185 HydrophobicContact CG1-CB 3.83Å; I166-L272 HydrophobicContact CG1-CD2 4.35Å; I166-L272 HydrophobicContact CG2-CD2 4.48Å
167	I	98.9	Very high	94.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.8	179.2	76.6	94.6	0	0	0	110.2	Y54 F55 F58 L74 I78 I93 F97 L169 C177 G178	Y54-I167 HydrophobicContact CE2-CB 3.81Å; Y54-I167 HydrophobicContact CE2-CD1 4.12Å; Y54-I167 HydrophobicContact CE2-CG1 4.31Å; Y54-I167 HydrophobicContact CE2-CG2 4.02Å; Y54-I167 VanDerWaalsContact OH-CG2 3.22Å; Y54-I167 WeakPolarHBondContact OH-CG2 3.5Å; F55-I167 CarbonylContact O-C 3.45Å; F55-I167 WeakPolarHBondContact O-CA 3.41Å; F58-I167 HydrophobicContact CZ-CG2 4.49Å; L74-I167 HydrophobicContact CD2-CG2 3.67Å; I78-I167 HydrophobicContact CD1-CD1 4.38Å; I93-I167 HydrophobicContact CD1-CD1 3.97Å; I93-I167 HydrophobicContact CG1-CD1 4.24Å; I93-I167 HydrophobicContact CG2-CD1 4.41Å; I93-I167 HydrophobicContact CG2-CG1 4.5Å; F97-I167 HydrophobicContact CE2-CG1 4.14Å; F97-I167 HydrophobicContact CE2-CG2 4.26Å; F97-I167 HydrophobicContact CZ-CG1 4.28Å; F97-I167 HydrophobicContact CZ-CG2 4Å; I167-L169 HydrophobicContact CD1-CB 4.17Å; I167-C177 CarbonylContact O-C 3.55Å; I167-C177 VanDerWaalsContact O-CA 3.26Å; I167-C177 WeakPolarHBondContact O-CA 3.38Å; I167-G178 PolarHBondContact N-O 3.11Å; I167-G178 PolarHBondContact O-N 3.04Å
168	V	98.9	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.6	166.5	170.7	0	0	0	0	108	F55 L170 L175 Y176 C177 A185 L196 I270 L272	F55-V168 PolarHBondContact N-O 3.49Å; F55-V168 PolarHBondContact O-N 3.48Å; V168-L170 HydrophobicContact CG1-CD2 3.71Å; V168-L170 HydrophobicContact CG1-CG 4.04Å; V168-L175 HydrophobicContact CG1-CG 4.38Å; V168-Y176 CarbonylContact C-O 3.49Å; V168-Y176 VanDerWaalsContact CA-O 3.32Å; V168-Y176 WeakPolarHBondContact CA-O 3.38Å; V168-C177 HydrophobicContact CG2-CB 4.43Å; V168-A185 HydrophobicContact CG2-CB 3.95Å; V168-L196 HydrophobicContact CG2-CD1 4.47Å; V168-I270 HydrophobicContact CG1-CD1 4.1Å; V168-I270 HydrophobicContact CG2-CG2 4.24Å; V168-L272 HydrophobicContact CB-CD1 4.39Å; V168-L272 HydrophobicContact CB-CD2 4.13Å; V168-L272 HydrophobicContact CG2-CD1 4.12Å; V168-L272 HydrophobicContact CG2-CD2 3.79Å; V168-L272 HydrophobicContact CG2-CG 4.04Å
169	L	98.9	Very high	97.2	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	126.7	172.1	-174.1	158.3	0	0	0	108.6	L46 A53 I78 Y84 I89 I167 K171 Y176	L46-L169 HydrophobicContact CD1-CD1 3.98Å; L46-L169 HydrophobicContact CD1-CG 4.49Å; A53-L169 CarbonylContact O-C 3.57Å; A53-L169 WeakPolarHBondContact O-CA 3.44Å; I78-L169 HydrophobicContact CG2-CD1 4.08Å; Y84-L169 HydrophobicContact CE2-CD1 4.14Å; I89-L169 HydrophobicContact CG2-CD1 4.3Å; I89-L169 HydrophobicContact CG2-CD2 4.15Å; I167-L169 HydrophobicContact CD1-CB 4.17Å; L169-K171 HydrophobicContact CD2-CB 3.85Å; L169-Y176 HydrophobicContact CD2-CD2 3.86Å; L169-Y176 HydrophobicContact CD2-CE2 4.42Å; L169-Y176 PolarHBondContact N-O 3.25Å; L169-Y176 PolarHBondContact O-N 2.85Å
170	L	98.7	Very high	97.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.4	178.1	-55.8	-178.6	0	0	0	108.9	Y22 A52 A53 F55 V168 M174 L175 L262 I270 V331 L333	Y22-L170 HydrophobicContact CD1-CD1 4.13Å; Y22-L170 HydrophobicContact CE1-CD1 3.47Å; Y22-L170 VanDerWaalsContact CE1-CD1 3.47Å; A52-L170 CarbonylContact C-O 3.39Å; A52-L170 VanDerWaalsContact CA-O 3.24Å; A52-L170 WeakPolarHBondContact CA-O 3.49Å; A53-L170 HydrophobicContact CB-CB 4.43Å; A53-L170 PolarHBondContact N-O 2.87Å; A53-L170 PolarHBondContact O-N 2.99Å; F55-L170 HydrophobicContact CE2-CD1 4.05Å; F55-L170 HydrophobicContact CE2-CG 4.46Å; V168-L170 HydrophobicContact CG1-CD2 3.71Å; V168-L170 HydrophobicContact CG1-CG 4.04Å; L170-M174 WeakPolarHBondContact CA-O 3.24Å; L170-L175 HydrophobicContact CD2-CB 3.83Å; L170-L175 HydrophobicContact CD2-CD1 4.18Å; L170-L175 HydrophobicContact CD2-CG 3.8Å; L170-L262 HydrophobicContact CD2-CD1 4.2Å; L170-I270 HydrophobicContact CD1-CD1 4.39Å; L170-I270 HydrophobicContact CD2-CD1 4.12Å; L170-V331 HydrophobicContact CD1-CG1 4.35Å; L170-L333 HydrophobicContact CD1-CD2 3.93Å
171	K	97.7	Very high	98.1	Very high	25 Å²	25	11.9 Å²	11.9	11%	0.109	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	132.7	179.1	-177.4	179	175.5	-73	0	109.9	D49 A52 N87 I89 L169 Q173 M174	D49-K171 WeakPolarHBondContact OD2-CD 3.27Å; D49-K171 WeakPolarHBondContact OD2-CE 3.3Å; A52-K171 HydrophobicContact CB-CB 4.03Å; A52-K171 HydrophobicContact CB-CD 4.07Å; A52-K171 HydrophobicContact CB-CG 4.09Å; N87-K171 PolarHBondContact OD1-NZ 3.25Å; I89-K171 HydrophobicContact CD1-CD 3.68Å; L169-K171 HydrophobicContact CD2-CB 3.85Å; K171-Q173 VanDerWaalsContact C-N 3.33Å; K171-Q173 PolarHBondContact O-N 3.44Å; K171-M174 PolarHBondContact N-O 2.87Å; K171-M174 WeakPolarHBondContact O-CA 3.22Å; K171-M174 VanDerWaalsContact O-CB 3.3Å; K171-M174 WeakPolarHBondContact O-CB 3.15Å; K171-M174 PolarHBondContact O-N 2.86Å
172	D	95.2	Very high	98.3	Very high	93 Å²	93	12 Å²	12	50%	0.497	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	45.7	175.6	-57.2	-47.8	0	0	0	114	M174	D172-M174 PolarHBondContact O-N 2.76Å; D172-M174 VanDerWaalsContact O-N 3.15Å
173	Q	95.4	Very high	98.3	Very high	59 Å²	59	12 Å²	12	28%	0.276	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	10.2	-174.5	-62.9	-68.4	86.6	0	0	115.7	K171 L262	K171-Q173 VanDerWaalsContact C-N 3.33Å; K171-Q173 PolarHBondContact O-N 3.44Å; Q173-L262 PolarHBondContact O-N 3.24Å
174	M	98.2	Very high	98.4	Very high	53 Å²	53	13.8 Å²	13.8	26%	0.261	7%	0.066	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	137.9	172.5	-62.5	-62.4	-64.4	0	0	110.3	L170 K171 D172 Y176 V259 R261	L170-M174 WeakPolarHBondContact CA-O 3.24Å; K171-M174 PolarHBondContact N-O 2.87Å; K171-M174 WeakPolarHBondContact O-CA 3.22Å; K171-M174 VanDerWaalsContact O-CB 3.3Å; K171-M174 WeakPolarHBondContact O-CB 3.15Å; K171-M174 PolarHBondContact O-N 2.86Å; D172-M174 PolarHBondContact O-N 2.76Å; D172-M174 VanDerWaalsContact O-N 3.15Å; M174-Y176 HydrophobicContact CB-CD2 4.33Å; M174-Y176 HydrophobicContact CB-CE2 3.46Å; M174-Y176 VanDerWaalsContact CB-CE2 3.46Å; M174-V259 HydrophobicContact CE-CG1 3.69Å; M174-R261 HydrophobicContact SD-CB 3.93Å; M174-R261 HydrophobicContact SD-CG 4.16Å
175	L	98.7	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.6	171.6	179.1	161.6	0	0	0	108.4	V168 L170 C177 L196 F258 V259 R260 L262 I270	V168-L175 HydrophobicContact CG1-CG 4.38Å; L170-L175 HydrophobicContact CD2-CB 3.83Å; L170-L175 HydrophobicContact CD2-CD1 4.18Å; L170-L175 HydrophobicContact CD2-CG 3.8Å; L175-C177 HydrophobicContact CD2-CB 4.04Å; L175-L196 HydrophobicContact CD1-CD1 3.83Å; L175-L196 HydrophobicContact CD1-CD2 4.15Å; L175-L196 HydrophobicContact CD2-CD1 4.14Å; L175-L196 HydrophobicContact CD2-CD2 4.07Å; L175-F258 HydrophobicContact CD2-CD1 4.27Å; L175-V259 WeakPolarHBondContact O-CA 3.32Å; L175-R260 HydrophobicContact CB-CG 4.47Å; L175-R260 PolarHBondContact N-O 2.97Å; L175-R260 PolarHBondContact O-N 3.07Å; L175-L262 HydrophobicContact CB-CD2 4.07Å; L175-L262 HydrophobicContact CB-CG 4.21Å; L175-L262 HydrophobicContact CD1-CD2 3.84Å; L175-I270 HydrophobicContact CD1-CD1 3.54Å; L175-I270 HydrophobicContact CD1-CG1 4.37Å
176	Y	98.9	Very high	98.4	Very high	18 Å²	18	13.8 Å²	13.8	7%	0.071	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.2	171.3	-55.3	-97.7	0	0	0	108.3	I89 I93 V168 L169 M174 F258 V259	I89-Y176 HydrophobicContact CB-CD1 3.96Å; I89-Y176 HydrophobicContact CB-CE1 3.68Å; I89-Y176 HydrophobicContact CB-CE2 4.34Å; I89-Y176 HydrophobicContact CB-CG 4.43Å; I89-Y176 HydrophobicContact CD1-CE1 4.49Å; I89-Y176 HydrophobicContact CD1-CE2 3.84Å; I89-Y176 HydrophobicContact CG2-CD1 3.77Å; I89-Y176 HydrophobicContact CG2-CD2 4.03Å; I89-Y176 HydrophobicContact CG2-CE1 4Å; I89-Y176 HydrophobicContact CG2-CE2 4.23Å; I89-Y176 HydrophobicContact CG2-CG 3.82Å; I93-Y176 HydrophobicContact CD1-CG 4.41Å; V168-Y176 CarbonylContact C-O 3.49Å; V168-Y176 VanDerWaalsContact CA-O 3.32Å; V168-Y176 WeakPolarHBondContact CA-O 3.38Å; L169-Y176 HydrophobicContact CD2-CD2 3.86Å; L169-Y176 HydrophobicContact CD2-CE2 4.42Å; L169-Y176 PolarHBondContact N-O 3.25Å; L169-Y176 PolarHBondContact O-N 2.85Å; M174-Y176 HydrophobicContact CB-CD2 4.33Å; M174-Y176 HydrophobicContact CB-CE2 3.46Å; M174-Y176 VanDerWaalsContact CB-CE2 3.46Å; Y176-F258 CarbonylContact C-O 3.5Å; Y176-F258 WeakPolarHBondContact CA-O 3.35Å; Y176-V259 HydrophobicContact CD1-CB 4.25Å; Y176-V259 HydrophobicContact CD1-CG1 3.73Å; Y176-V259 HydrophobicContact CD1-CG2 3.57Å; Y176-V259 HydrophobicContact CE1-CB 4.43Å; Y176-V259 HydrophobicContact CE1-CG1 3.52Å; Y176-V259 HydrophobicContact CE1-CG2 4Å; Y176-V259 HydrophobicContact CG-CG1 4.49Å
177	C	98.9	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	113.1	176.9	179.3	0	0	0	0	108.9	I167 V168 L175 L196 V257 F258	I167-C177 CarbonylContact O-C 3.55Å; I167-C177 VanDerWaalsContact O-CA 3.26Å; I167-C177 WeakPolarHBondContact O-CA 3.38Å; V168-C177 HydrophobicContact CG2-CB 4.43Å; L175-C177 HydrophobicContact CD2-CB 4.04Å; C177-L196 HydrophobicContact CB-CB 3.87Å; C177-L196 PolarHBondContact SG-O 3.19Å; C177-V257 CarbonylContact O-C 3.47Å; C177-V257 VanDerWaalsContact O-CA 3.29Å; C177-V257 WeakPolarHBondContact O-CA 3.39Å; C177-F258 HydrophobicContact CB-CB 4.29Å; C177-F258 PolarHBondContact N-O 2.75Å; C177-F258 PolarHBondContact O-N 2.99Å
178	G	98.9	Very high	98.3	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.8	175.7	0	0	0	0	0	110.1	I166 I167 D256	I166-G178 WeakPolarHBondContact CA-O 3.24Å; I167-G178 PolarHBondContact N-O 3.11Å; I167-G178 PolarHBondContact O-N 3.04Å; G178-D256 WeakPolarHBondContact CA-O 3.4Å
179	N	98.9	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.3	-178.9	-174.8	40.8	0	0	0	112.5	G165 I166 G181 S183 T198 H200 P255 D256	G165-N179 CarbonylContact O-C 3.58Å; G165-N179 WeakPolarHBondContact O-CA 3.46Å; I166-N179 HydrophobicContact CD1-CB 3.62Å; N179-G181 PolarHBondContact ND2-O 3.41Å; N179-S183 PolarHBondContact OD1-O 2.8Å; N179-T198 PolarHBondContact ND2-O 3.02Å; N179-H200 PolarHBondContact O-CE1 2.82Å; N179-P255 CarbonylContact O-C 3.49Å; N179-P255 WeakPolarHBondContact O-CA 3.38Å; N179-P255 WeakPolarHBondContact O-CB 3.4Å; N179-D256 PolarHBondContact N-O 2.78Å; N179-D256 PolarHBondContact O-N 3.03Å
180	A	98.8	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	88.5	163.2	0	0	0	0	0	109.6	F97 T164 G165 R231	F97-A180 HydrophobicContact CD1-CB 3.95Å; F97-A180 HydrophobicContact CE1-CB 3.82Å; T164-A180 CarbonylContact C-O 3.55Å; T164-A180 VanDerWaalsContact CA-O 3.25Å; T164-A180 WeakPolarHBondContact CA-O 3.47Å; G165-A180 PolarHBondContact N-O 3.32Å; G165-A180 PolarHBondContact O-N 2.98Å; A180-R231 HydrophobicContact CB-CB 4.3Å
181	G	98.6	Very high	97.9	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	142.7	-156.5	178.7	0	0	0	0	0	111.1	N179 H200 R231	N179-G181 PolarHBondContact ND2-O 3.41Å; G181-H200 PolarHBondContact N-ND1 2.75Å; G181-H200 PolarHBondContact O-N 2.86Å; G181-R231 WeakPolarHBondContact CA-O 3.49Å
182	D	98	Very high	97.8	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	-117.2	3.5	-179.9	59.8	-2.4	0	0	0	114.4	T164 D199 K201 L229	T164-D182 WeakPolarHBondContact CG2-OD1 3.5Å; D182-D199 HydrophobicContact CB-CB 3.94Å; D182-K201 HydrophobicContact CB-CD 4.26Å; D182-K201 VanDerWaalsContact CB-NZ 3.31Å; D182-K201 IonicContact OD2-NZ 2.93Å; D182-K201 PolarHBondContact OD2-NZ 3.4Å; D182-L229 HydrophobicContact CB-CD2 4.01Å; D182-L229 WeakPolarHBondContact OD1-CD2 3.45Å; D182-L229 WeakPolarHBondContact OD2-CD2 3.3Å
183	S	98.8	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.			trans	-59.7	142.9	152.8	-54.7	0	0	0	0	109.1	D59 T164 I166 N179 C273	D59-S183 WeakPolarHBondContact CB-OG 3.49Å; T164-S183 PolarHBondContact OG1-OG 2.86Å; I166-S183 VanDerWaalsContact CG2-CB 3.46Å; N179-S183 PolarHBondContact OD1-O 2.8Å; S183-C273 WeakPolarHBondContact CA-O 3.38Å; S183-C273 WeakPolarHBondContact CB-O 3.44Å
184	R	98.8	Very high	97.9	Very high	36 Å²	36	20 Å²	20	14%	0.136	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	144.1	-167.5	-170.6	-166	-60.4	153.2	7.4	111.9	V186 S197 D199 L272 C273 W278 N283	R184-V186 HydrophobicContact CG-CG2 4.29Å; R184-S197 WeakPolarHBondContact CA-OG 3.17Å; R184-S197 WeakPolarHBondContact CG-OG 3.35Å; R184-D199 IonicContact CZ-OD1 2.75Å; R184-D199 IonicContact CZ-OD2 2.75Å; R184-D199 IonicContact NE-OD1 2.83Å; R184-D199 PolarHBondContact NE-OD1 2.86Å; R184-D199 IonicContact NE-OD2 3.25Å; R184-D199 VanDerWaalsContact NH2-CG 3.32Å; R184-D199 IonicContact NH2-OD1 3.25Å; R184-D199 PolarHBondContact NH2-OD1 2.8Å; R184-D199 IonicContact NH2-OD2 3.38Å; R184-D199 PolarHBondContact NH2-OD2 2.8Å; R184-L272 WeakPolarHBondContact O-CA 3.46Å; R184-C273 PolarHBondContact N-O 3.38Å; R184-C273 PolarHBondContact O-N 3.17Å; R184-W278 HydrophobicContact CB-CD2 4.25Å; R184-W278 HydrophobicContact CB-CG 4.13Å; R184-W278 HydrophobicContact CB-CZ2 4.49Å; R184-W278 PolarHBondContact O-NE1 3.04Å; R184-W278 VanDerWaalsContact O-NE1 3.11Å; R184-N283 WeakPolarHBondContact CD-OD1 3.21Å; R184-N283 PolarHBondContact NH1-OD1 2.88Å
185	A	98.9	Very high	98	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.3	171.5	0	0	0	0	0	110.8	I166 V168 L196 S197 V271 L272	I166-A185 HydrophobicContact CD1-CB 3.96Å; I166-A185 HydrophobicContact CG1-CB 3.83Å; V168-A185 HydrophobicContact CG2-CB 3.95Å; A185-L196 HydrophobicContact CB-CB 4.13Å; A185-L196 HydrophobicContact CB-CD1 4.21Å; A185-L196 WeakPolarHBondContact O-CB 3.42Å; A185-L196 PolarHBondContact O-N 3.48Å; A185-S197 PolarHBondContact N-OG 3.09Å; A185-V271 CarbonylContact C-O 3.52Å; A185-V271 VanDerWaalsContact CA-O 3.28Å; A185-V271 WeakPolarHBondContact CA-O 3.31Å; A185-L272 HydrophobicContact CB-CG 3.96Å
186	V	98.8	Very high	98	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135	179.8	178.8	0	0	0	0	109.2	R184 A193 I270 V271 W278 N283 V287	R184-V186 HydrophobicContact CG-CG2 4.29Å; V186-A193 HydrophobicContact CG1-CB 3.83Å; V186-I270 CarbonylContact O-C 3.54Å; V186-I270 WeakPolarHBondContact O-CA 3.43Å; V186-V271 PolarHBondContact N-O 2.86Å; V186-V271 PolarHBondContact O-N 2.79Å; V186-W278 HydrophobicContact CB-CH2 4.01Å; V186-W278 HydrophobicContact CG2-CH2 3.53Å; V186-W278 HydrophobicContact CG2-CZ2 3.99Å; V186-W278 HydrophobicContact CG2-CZ3 4.07Å; V186-N283 HydrophobicContact CG1-CB 4.39Å; V186-N283 HydrophobicContact CG2-CB 4.19Å; V186-N283 WeakPolarHBondContact CG2-OD1 3.27Å; V186-V287 HydrophobicContact CG1-CG2 3.78Å
187	C	98.7	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	136.7	171	-173	0	0	0	0	110.5	E194 L196 R260 F269 I270	C187-E194 HydrophobicContact CB-CB 4.47Å; C187-E194 PolarHBondContact N-O 2.72Å; C187-E194 PolarHBondContact O-N 2.82Å; C187-L196 HydrophobicContact CB-CD1 4.1Å; C187-L196 HydrophobicContact CB-CD2 4.03Å; C187-L196 HydrophobicContact CB-CG 4.19Å; C187-R260 PolarHBondContact SG-NH2 3.48Å; C187-F269 WeakPolarHBondContact CA-O 3.44Å; C187-F269 PolarHBondContact SG-O 2.94Å; C187-F269 VanDerWaalsContact SG-O 3.42Å; C187-I270 HydrophobicContact CB-CG1 4.26Å
188	S	98.2	Very high	97.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.6	162.7	-175.7	0	0	0	0	109.6	G191 E268 F269 V287	S188-G191 WeakPolarHBondContact OG-CA 3.38Å; S188-G191 PolarHBondContact OG-N 2.9Å; S188-E268 PolarHBondContact O-N 3.05Å; S188-E268 PolarHBondContact OG-OE2 3.02Å; S188-F269 VanDerWaalsContact CB-CE1 3.49Å; S188-F269 PolarHBondContact N-O 3.34Å; S188-V287 WeakPolarHBondContact OG-CG1 3.32Å
189	R	96.5	Very high	97.9	Very high	81 Å²	81	25.7 Å²	25.7	31%	0.306	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.2	171.5	179.6	171.3	-76.7	-167.2	-5.1	109.3	G191 V192 E194 R260 D266 D267	R189-G191 PolarHBondContact O-N 3.23Å; R189-V192 PolarHBondContact N-O 2.87Å; R189-V192 PolarHBondContact O-N 3.2Å; R189-E194 IonicContact CZ-OE2 3.19Å; R189-E194 IonicContact NE-OE2 3.77Å; R189-R260 VanDerWaalsContact NH2-CZ 3.34Å; R189-R260 VanDerWaalsContact NH2-NH1 3.12Å; R189-D266 CarbonylContact C-O 3.46Å; R189-D266 WeakPolarHBondContact CA-O 3.42Å; R189-D266 HydrophobicContact CG-CB 3.78Å; R189-D267 IonicContact CZ-OD1 2.84Å; R189-D267 IonicContact NE-OD1 3.2Å; R189-D267 PolarHBondContact NE-OD1 2.62Å; R189-D267 IonicContact NH2-OD1 3.94Å; R189-D267 PolarHBondContact NH2-OD1 3.14Å; R189-D267 IonicContact NH2-OD2 3.84Å; R189-D267 PolarHBondContact NH2-OD2 2.75Å
190	R	95.2	Very high	97.9	Very high	108 Å²	108	25.7 Å²	25.7	41%	0.408	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.8	-173.5	-61.3	179.3	57.5	178.4	0.2	112.8	V192 D266 P351	R190-V192 VanDerWaalsContact C-N 3.3Å; R190-V192 PolarHBondContact O-N 2.77Å; R190-D266 WeakPolarHBondContact CD-OD1 3.21Å; R190-D266 HydrophobicContact CG-CB 3.9Å; R190-D266 PolarHBondContact N-O 2.87Å; R190-P351 HydrophobicContact CB-CG 4.24Å; R190-P351 WeakPolarHBondContact O-CD 3.44Å
191	G	95.3	Very high	97.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	0.6	-177.1	0	0	0	0	0	117	S188 R189 E268 Q284 C350	S188-G191 WeakPolarHBondContact OG-CA 3.38Å; S188-G191 PolarHBondContact OG-N 2.9Å; R189-G191 PolarHBondContact O-N 3.23Å; G191-E268 PolarHBondContact N-OE2 2.93Å; G191-Q284 PolarHBondContact O-NE2 2.9Å; G191-C350 VanDerWaalsContact C-SG 3.54Å
192	V	96	Very high	97.8	Very high	54 Å²	54	28.4 Å²	28.4	33%	0.327	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130	169.6	-175.9	0	0	0	0	109	R189 R190 E194 A352	R189-V192 PolarHBondContact N-O 2.87Å; R189-V192 PolarHBondContact O-N 3.2Å; R190-V192 VanDerWaalsContact C-N 3.3Å; R190-V192 PolarHBondContact O-N 2.77Å; V192-E194 PolarHBondContact O-N 3.26Å; V192-A352 HydrophobicContact CG2-CB 3.86Å
193	A	96.7	Very high	97.8	Very high	18 Å²	18	32 Å²	32	15%	0.149	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	119.5	174.9	0	0	0	0	0	111.6	V186 N283 Q284 V287	V186-A193 HydrophobicContact CG1-CB 3.83Å; A193-N283 HydrophobicContact CB-CB 3.88Å; A193-N283 WeakPolarHBondContact CB-O 3.35Å; A193-Q284 HydrophobicContact CB-CB 4.38Å; A193-V287 HydrophobicContact CB-CB 4.05Å; A193-V287 HydrophobicContact CB-CG2 3.67Å
194	E	97.3	Very high	97.7	Very high	45 Å²	45	35.3 Å²	35.3	21%	0.21	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	105.5	173.5	-173.6	-169.6	171.4	0	0	109	C187 R189 V192 L196 R260	C187-E194 HydrophobicContact CB-CB 4.47Å; C187-E194 PolarHBondContact N-O 2.72Å; C187-E194 PolarHBondContact O-N 2.82Å; R189-E194 IonicContact CZ-OE2 3.19Å; R189-E194 IonicContact NE-OE2 3.77Å; V192-E194 PolarHBondContact O-N 3.26Å; E194-L196 PolarHBondContact O-N 2.83Å; E194-R260 VanDerWaalsContact OE1-CD 3.31Å; E194-R260 WeakPolarHBondContact OE1-CD 3.21Å; E194-R260 IonicContact OE1-CZ 3.44Å; E194-R260 IonicContact OE1-NE 3.93Å; E194-R260 PolarHBondContact OE1-NE 2.9Å; E194-R260 IonicContact OE1-NH2 3.68Å; E194-R260 IonicContact OE2-CZ 3.07Å; E194-R260 VanDerWaalsContact OE2-CZ 3.32Å; E194-R260 IonicContact OE2-NE 2.76Å; E194-R260 PolarHBondContact OE2-NE 3.1Å; E194-R260 IonicContact OE2-NH2 3.84Å; E194-R260 PolarHBondContact OE2-NH2 3.38Å
195	P	98.3	Very high	97.7	Very high	62 Å²	62	43.1 Å²	43.1	40%	0.403	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	130.7	175.5	-20.6	33.4	0	0	0	111.1	N283	P195-N283 WeakPolarHBondContact CG-ND2 3.33Å
196	L	98.8	Very high	97.7	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	24%	0.238	C	C	.	.	S	Bend	trans	-98.9	-9.7	177.3	-55.7	173.6	0	0	0	112.1	V168 L175 C177 A185 C187 E194 F258 I270	V168-L196 HydrophobicContact CG2-CD1 4.47Å; L175-L196 HydrophobicContact CD1-CD1 3.83Å; L175-L196 HydrophobicContact CD1-CD2 4.15Å; L175-L196 HydrophobicContact CD2-CD1 4.14Å; L175-L196 HydrophobicContact CD2-CD2 4.07Å; C177-L196 HydrophobicContact CB-CB 3.87Å; C177-L196 PolarHBondContact SG-O 3.19Å; A185-L196 HydrophobicContact CB-CB 4.13Å; A185-L196 HydrophobicContact CB-CD1 4.21Å; A185-L196 WeakPolarHBondContact O-CB 3.42Å; A185-L196 PolarHBondContact O-N 3.48Å; C187-L196 HydrophobicContact CB-CD1 4.1Å; C187-L196 HydrophobicContact CB-CD2 4.03Å; C187-L196 HydrophobicContact CB-CG 4.19Å; E194-L196 PolarHBondContact O-N 2.83Å; L196-F258 HydrophobicContact CB-CD1 4.37Å; L196-F258 HydrophobicContact CD2-CD1 4.06Å; L196-F258 HydrophobicContact CD2-CE1 3.7Å; L196-F258 VanDerWaalsContact O-CB 3.26Å; L196-F258 WeakPolarHBondContact O-CB 3.44Å; L196-I270 HydrophobicContact CD1-CG2 3.74Å
197	S	98.8	Very high	97.6	Very high	14 Å²	14	46.5 Å²	46.5	10%	0.098	24%	0.239	C	C	.	.			trans	-140	160.5	177.2	62.1	0	0	0	0	110.9	R184 A185	R184-S197 WeakPolarHBondContact CA-OG 3.17Å; R184-S197 WeakPolarHBondContact CG-OG 3.35Å; A185-S197 PolarHBondContact N-OG 3.09Å
198	T	98.1	Very high	97.6	Very high	90 Å²	90	51.6 Å²	51.6	55%	0.552	26%	0.261	S	S	*	.			trans	-113.8	131.3	168.9	-57.3	0	0	0	0	108.2	N179 H200 L204	N179-T198 PolarHBondContact ND2-O 3.02Å; T198-H200 PolarHBondContact O-N 3.17Å; T198-L204 HydrophobicContact CG2-CD1 4.47Å
199	D	98.5	Very high	97.7	Very high	22 Å²	22	56.6 Å²	56.6	12%	0.118	29%	0.285	C	S	.	.			trans	-62.7	130.7	177.5	-60.3	14.1	0	0	0	111.4	D182 R184 K201 L204	D182-D199 HydrophobicContact CB-CB 3.94Å; R184-D199 IonicContact CZ-OD1 2.75Å; R184-D199 IonicContact CZ-OD2 2.75Å; R184-D199 IonicContact NE-OD1 2.83Å; R184-D199 PolarHBondContact NE-OD1 2.86Å; R184-D199 IonicContact NE-OD2 3.25Å; R184-D199 VanDerWaalsContact NH2-CG 3.32Å; R184-D199 IonicContact NH2-OD1 3.25Å; R184-D199 PolarHBondContact NH2-OD1 2.8Å; R184-D199 IonicContact NH2-OD2 3.38Å; R184-D199 PolarHBondContact NH2-OD2 2.8Å; D199-K201 HydrophobicContact CB-CG 4.19Å; D199-K201 PolarHBondContact O-N 2.74Å; D199-K201 VanDerWaalsContact O-N 3.14Å; D199-L204 VanDerWaalsContact O-CD1 3.29Å; D199-L204 WeakPolarHBondContact O-CD1 3.42Å
200	H	98.6	Very high	97.8	Very high	2 Å²	2	54 Å²	54	1%	0.009	28%	0.275	C	S	.	.			trans	-85.8	87.3	178.2	-67.2	147.2	0	0	0	111.4	N179 G181 T198 S230 R231 D256	N179-H200 PolarHBondContact O-CE1 2.82Å; G181-H200 PolarHBondContact N-ND1 2.75Å; G181-H200 PolarHBondContact O-N 2.86Å; T198-H200 PolarHBondContact O-N 3.17Å; H200-S230 WeakPolarHBondContact CB-OG 3.48Å; H200-S230 PolarHBondContact O-N 2.85Å; H200-S230 VanDerWaalsContact O-N 3.1Å; H200-S230 PolarHBondContact O-OG 2.98Å; H200-R231 HydrophobicContact CB-CB 3.93Å; H200-R231 HydrophobicContact CB-CG 3.94Å; H200-R231 WeakPolarHBondContact ND1-CD 3.43Å; H200-D256 IonicContact NE2-OD1 3.57Å; H200-D256 IonicContact NE2-OD2 3.7Å; H200-D256 PolarHBondContact NE2-OD2 2.95Å
201	K	97.9	Very high	97.9	Very high	55 Å²	55	48.8 Å²	48.8	24%	0.239	26%	0.255	C	S	.	.			trans	-101.2	139.8	177.5	-55.6	-65.7	-174	174	0	111.2	D182 D199 T203 L204	D182-K201 HydrophobicContact CB-CD 4.26Å; D182-K201 VanDerWaalsContact CB-NZ 3.31Å; D182-K201 IonicContact OD2-NZ 2.93Å; D182-K201 PolarHBondContact OD2-NZ 3.4Å; D199-K201 HydrophobicContact CB-CG 4.19Å; D199-K201 PolarHBondContact O-N 2.74Å; D199-K201 VanDerWaalsContact O-N 3.14Å; K201-T203 PolarHBondContact O-N 3.19Å; K201-L204 HydrophobicContact CB-CG 4.48Å; K201-L204 WeakPolarHBondContact O-CB 3.47Å; K201-L204 PolarHBondContact O-N 3.21Å
202	P	98.3	Very high	98.1	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-20.6	179.7	-26.8	36.1	0	0	0	115	L204 I211 V218 V223 A228	P202-L204 VanDerWaalsContact C-N 3.32Å; P202-I211 HydrophobicContact CB-CD1 4.09Å; P202-V218 HydrophobicContact CB-CG1 3.9Å; P202-V218 HydrophobicContact CB-CG2 3.98Å; P202-V223 HydrophobicContact CB-CG2 3.96Å; P202-V223 HydrophobicContact CG-CG2 3.57Å; P202-A228 WeakPolarHBondContact CD-O 3.23Å
203	T	97.3	Very high	98.2	Very high	79 Å²	79	52.4 Å²	52.4	49%	0.485	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.2	179.3	51.6	0	0	0	0	113.9	K201 K221	K201-T203 PolarHBondContact O-N 3.19Å; T203-K221 HydrophobicContact CG2-CB 3.65Å; T203-K221 HydrophobicContact CG2-CD 4.42Å; T203-K221 HydrophobicContact CG2-CG 3.74Å
204	L	97.8	Very high	98.3	Very high	71 Å²	71	51.7 Å²	51.7	37%	0.372	28%	0.281	S	S	.	.	S	Bend	trans	-66.9	140.1	176.6	-65.1	179.5	0	0	0	110	T198 D199 K201 P202 A206 E207 K208	T198-L204 HydrophobicContact CG2-CD1 4.47Å; D199-L204 VanDerWaalsContact O-CD1 3.29Å; D199-L204 WeakPolarHBondContact O-CD1 3.42Å; K201-L204 HydrophobicContact CB-CG 4.48Å; K201-L204 WeakPolarHBondContact O-CB 3.47Å; K201-L204 PolarHBondContact O-N 3.21Å; P202-L204 VanDerWaalsContact C-N 3.32Å; L204-A206 PolarHBondContact O-N 2.86Å; L204-E207 HydrophobicContact CB-CB 4.18Å; L204-E207 HydrophobicContact CB-CG 3.81Å; L204-E207 HydrophobicContact CD1-CG 4.31Å; L204-E207 PolarHBondContact O-N 2.92Å; L204-E207 VanDerWaalsContact O-N 3.17Å; L204-K208 WeakPolarHBondContact O-CB 3.31Å; L204-K208 PolarHBondContact O-N 3.23Å
205	R	98.1	Very high	98.3	Very high	200 Å²	200	52.3 Å²	52.3	76%	0.755	30%	0.299	S	S	*	.	H	α-helix	trans	-55.3	-52.5	-172.7	179.2	178.5	170.7	-177.3	-2.9	112.9	E207 K208 E209	R205-E207 VanDerWaalsContact C-N 3.3Å; R205-E207 PolarHBondContact O-N 2.67Å; R205-K208 PolarHBondContact O-N 2.78Å; R205-E209 VanDerWaalsContact CG-OE1 3.31Å; R205-E209 WeakPolarHBondContact CG-OE1 3.33Å; R205-E209 IonicContact CZ-OE1 3.5Å; R205-E209 IonicContact NE-OE1 2.99Å; R205-E209 PolarHBondContact NE-OE1 2.84Å; R205-E209 IonicContact NH2-OE1 2.85Å; R205-E209 WeakPolarHBondContact O-CB 3.37Å; R205-E209 WeakPolarHBondContact O-CG 3.24Å; R205-E209 PolarHBondContact O-N 3.07Å
206	A	97.9	Very high	98.3	Very high	66 Å²	66	49.8 Å²	49.8	55%	0.545	28%	0.284	S	S	.	.	H	α-helix	trans	-62.2	-38.6	-179.5	0	0	0	0	0	112.2	L204 R210	L204-A206 PolarHBondContact O-N 2.86Å; A206-R210 PolarHBondContact O-N 2.65Å
207	E	98.6	Very high	98.3	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.023	31%	0.31	C	S	.	.	H	α-helix	trans	-66.7	-46.1	177.7	-56.8	-61.9	106.6	0	0	111	L204 R205 E209 R210 I211 S230 R231	L204-E207 HydrophobicContact CB-CB 4.18Å; L204-E207 HydrophobicContact CB-CG 3.81Å; L204-E207 HydrophobicContact CD1-CG 4.31Å; L204-E207 PolarHBondContact O-N 2.92Å; L204-E207 VanDerWaalsContact O-N 3.17Å; R205-E207 VanDerWaalsContact C-N 3.3Å; R205-E207 PolarHBondContact O-N 2.67Å; E207-E209 PolarHBondContact O-N 3.06Å; E207-R210 PolarHBondContact O-N 3.29Å; E207-R210 IonicContact OE1-CZ 2.8Å; E207-R210 IonicContact OE1-NH1 3.53Å; E207-R210 PolarHBondContact OE1-NH1 2.78Å; E207-R210 IonicContact OE2-CZ 3.46Å; E207-R210 VanDerWaalsContact OE2-CZ 3.25Å; E207-R210 IonicContact OE2-NH1 3.63Å; E207-R210 PolarHBondContact OE2-NH1 3.1Å; E207-R210 IonicContact OE2-NH2 2.82Å; E207-R210 PolarHBondContact OE2-NH2 2.99Å; E207-I211 WeakPolarHBondContact O-CB 3.24Å; E207-I211 WeakPolarHBondContact O-CD1 3.35Å; E207-I211 VanDerWaalsContact O-CG1 3.23Å; E207-I211 WeakPolarHBondContact O-CG1 3.43Å; E207-I211 PolarHBondContact O-N 3.01Å; E207-S230 WeakPolarHBondContact CG-OG 3.32Å; E207-S230 VanDerWaalsContact OE2-CB 3.31Å; E207-S230 WeakPolarHBondContact OE2-CB 3.48Å; E207-S230 PolarHBondContact OE2-OG 2.87Å; E207-R231 IonicContact OE1-CZ 3.15Å; E207-R231 IonicContact OE1-NE 3.79Å; E207-R231 PolarHBondContact OE1-NE 2.75Å; E207-R231 IonicContact OE1-NH2 3.33Å; E207-R231 PolarHBondContact OE1-NH2 3.08Å; E207-R231 WeakPolarHBondContact OE2-CG 3.26Å; E207-R231 IonicContact OE2-NE 3.69Å; E207-R231 PolarHBondContact OE2-NE 3.14Å; E207-R231 VanDerWaalsContact OE2-NE 3.12Å
208	K	98.5	Very high	98.2	Very high	107 Å²	107	57.3 Å²	57.3	47%	0.465	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-41.1	177.2	-173.6	174.2	-179	178.4	0	112.4	L204 R205 S212 V218	L204-K208 WeakPolarHBondContact O-CB 3.31Å; L204-K208 PolarHBondContact O-N 3.23Å; R205-K208 PolarHBondContact O-N 2.78Å; K208-S212 WeakPolarHBondContact O-CB 3.45Å; K208-S212 PolarHBondContact O-N 3.41Å; K208-S212 PolarHBondContact O-OG 3.06Å; K208-V218 HydrophobicContact CB-CG2 4.43Å; K208-V218 HydrophobicContact CG-CB 4.47Å; K208-V218 HydrophobicContact CG-CG2 4.04Å
209	E	98.5	Very high	98.2	Very high	105 Å²	105	57.6 Å²	57.6	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-48	175.1	-74.2	170.3	-174.9	0	0	111	R205 E207 S212 A213	R205-E209 VanDerWaalsContact CG-OE1 3.31Å; R205-E209 WeakPolarHBondContact CG-OE1 3.33Å; R205-E209 IonicContact CZ-OE1 3.5Å; R205-E209 IonicContact NE-OE1 2.99Å; R205-E209 PolarHBondContact NE-OE1 2.84Å; R205-E209 IonicContact NH2-OE1 2.85Å; R205-E209 WeakPolarHBondContact O-CB 3.37Å; R205-E209 WeakPolarHBondContact O-CG 3.24Å; R205-E209 PolarHBondContact O-N 3.07Å; E207-E209 PolarHBondContact O-N 3.06Å; E209-S212 PolarHBondContact O-N 3.39Å; E209-A213 WeakPolarHBondContact O-CB 3.18Å; E209-A213 PolarHBondContact O-N 3.42Å
210	R	98.6	Very high	98.1	Very high	26 Å²	26	60.2 Å²	60.2	10%	0.098	34%	0.337	C	S	.	.	H	α-helix	trans	-58.5	-51.5	174.5	-177.6	-167.3	64	-114.7	-1.9	111.8	A206 E207 S212 A213 A214 S230 E247 Q249	A206-R210 PolarHBondContact O-N 2.65Å; E207-R210 PolarHBondContact O-N 3.29Å; E207-R210 IonicContact OE1-CZ 2.8Å; E207-R210 IonicContact OE1-NH1 3.53Å; E207-R210 PolarHBondContact OE1-NH1 2.78Å; E207-R210 IonicContact OE2-CZ 3.46Å; E207-R210 VanDerWaalsContact OE2-CZ 3.25Å; E207-R210 IonicContact OE2-NH1 3.63Å; E207-R210 PolarHBondContact OE2-NH1 3.1Å; E207-R210 IonicContact OE2-NH2 2.82Å; E207-R210 PolarHBondContact OE2-NH2 2.99Å; R210-S212 PolarHBondContact O-N 3.29Å; R210-A213 PolarHBondContact O-N 2.92Å; R210-A214 WeakPolarHBondContact O-CB 3.37Å; R210-A214 PolarHBondContact O-N 2.89Å; R210-S230 PolarHBondContact NH2-O 3.42Å; R210-E247 WeakPolarHBondContact CD-O 3.37Å; R210-Q249 WeakPolarHBondContact CD-O 3.26Å; R210-Q249 PolarHBondContact NE-O 2.93Å
211	I	98.7	Very high	98	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-53.7	-45.3	-179.7	-74.6	158.9	0	0	0	110.6	P202 E207 A214 G215 G216 V218 V223 I250	P202-I211 HydrophobicContact CB-CD1 4.09Å; E207-I211 WeakPolarHBondContact O-CB 3.24Å; E207-I211 WeakPolarHBondContact O-CD1 3.35Å; E207-I211 VanDerWaalsContact O-CG1 3.23Å; E207-I211 WeakPolarHBondContact O-CG1 3.43Å; E207-I211 PolarHBondContact O-N 3.01Å; I211-A214 PolarHBondContact O-N 2.99Å; I211-G215 PolarHBondContact O-N 3.42Å; I211-G216 WeakPolarHBondContact O-CA 3.12Å; I211-G216 PolarHBondContact O-N 2.73Å; I211-V218 HydrophobicContact CB-CG2 4.46Å; I211-V218 HydrophobicContact CD1-CG2 3.85Å; I211-V218 HydrophobicContact CG2-CG2 4.02Å; I211-V223 HydrophobicContact CD1-CG2 3.81Å; I211-V223 HydrophobicContact CG1-CG2 4.48Å; I211-I250 HydrophobicContact CG1-CG2 4.44Å; I211-I250 VanDerWaalsContact CG1-O 3.27Å; I211-I250 WeakPolarHBondContact CG1-O 3.27Å; I211-I250 HydrophobicContact CG2-CG2 4.21Å
212	S	98.3	Very high	98	Very high	62 Å²	62	69.3 Å²	69.3	43%	0.434	37%	0.374	S	S	.	.	H	α-helix	trans	-69.1	-42.4	-179.1	-52.1	0	0	0	0	111.8	K208 E209 R210 A214 G215 G216	K208-S212 WeakPolarHBondContact O-CB 3.45Å; K208-S212 PolarHBondContact O-N 3.41Å; K208-S212 PolarHBondContact O-OG 3.06Å; E209-S212 PolarHBondContact O-N 3.39Å; R210-S212 PolarHBondContact O-N 3.29Å; S212-A214 PolarHBondContact O-N 2.86Å; S212-G215 PolarHBondContact O-N 2.91Å; S212-G216 WeakPolarHBondContact CA-O 3.2Å
213	A	98.3	Very high	97.9	Very high	68 Å²	68	69.2 Å²	69.2	56%	0.562	37%	0.374	S	S	*	.	H	α-helix	trans	-63.2	-28.6	175.4	0	0	0	0	0	112.7	E209 R210 G215 Q244	E209-A213 WeakPolarHBondContact O-CB 3.18Å; E209-A213 PolarHBondContact O-N 3.42Å; R210-A213 PolarHBondContact O-N 2.92Å; A213-G215 VanDerWaalsContact C-N 3.28Å; A213-G215 PolarHBondContact O-N 3.15Å; A213-Q244 PolarHBondContact O-NE2 3.48Å
214	A	98.3	Very high	97.9	Very high	3 Å²	3	67.3 Å²	67.3	3%	0.025	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.8	175.6	0	0	0	0	0	114	R210 I211 S212 N241 Q244 N248 I250	R210-A214 WeakPolarHBondContact O-CB 3.37Å; R210-A214 PolarHBondContact O-N 2.89Å; I211-A214 PolarHBondContact O-N 2.99Å; S212-A214 PolarHBondContact O-N 2.86Å; A214-N241 PolarHBondContact O-ND2 2.92Å; A214-Q244 HydrophobicContact CB-CG 4.22Å; A214-N248 VanDerWaalsContact CB-O 3.31Å; A214-N248 WeakPolarHBondContact CB-O 3.4Å; A214-I250 HydrophobicContact CB-CB 4.32Å; A214-I250 HydrophobicContact CB-CG1 3.56Å
215	G	98	Very high	97.8	Very high	57 Å²	57	65.5 Å²	65.5	59%	0.588	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	7.7	179.9	0	0	0	0	0	114.8	I211 S212 A213	I211-G215 PolarHBondContact O-N 3.42Å; S212-G215 PolarHBondContact O-N 2.91Å; A213-G215 VanDerWaalsContact C-N 3.28Å; A213-G215 PolarHBondContact O-N 3.15Å
216	G	98.2	Very high	97.6	Very high	9 Å²	9	60.5 Å²	60.5	9%	0.093	35%	0.347	C	S	.	.			trans	-89.7	-178.9	170.7	0	0	0	0	0	112.5	I211 S212 N224	I211-G216 WeakPolarHBondContact O-CA 3.12Å; I211-G216 PolarHBondContact O-N 2.73Å; S212-G216 WeakPolarHBondContact CA-O 3.2Å; G216-N224 VanDerWaalsContact CA-OD1 3.29Å; G216-N224 WeakPolarHBondContact CA-OD1 3.45Å
217	W	98.3	Very high	97.5	Very high	144 Å²	144	58.2 Å²	58.2	55%	0.545	33%	0.326	S	S	.	.			trans	-142.4	167.2	173.4	62.3	98.1	0	0	0	110.5	N224	W217-N224 HydrophobicContact CD2-CB 4.26Å; W217-N224 HydrophobicContact CE3-CB 4.49Å; W217-N224 HydrophobicContact CH2-CB 3.99Å; W217-N224 HydrophobicContact CZ2-CB 3.73Å; W217-N224 HydrophobicContact CZ3-CB 4.37Å; W217-N224 PolarHBondContact N-OD1 3Å; W217-N224 PolarHBondContact O-N 2.99Å; W217-N224 PolarHBondContact O-OD1 2.87Å
218	V	98.2	Very high	97.4	Very high	32 Å²	32	59.7 Å²	59.7	19%	0.194	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.7	174.5	179.8	0	0	0	0	108.4	P202 K208 I211 R222	P202-V218 HydrophobicContact CB-CG1 3.9Å; P202-V218 HydrophobicContact CB-CG2 3.98Å; K208-V218 HydrophobicContact CB-CG2 4.43Å; K208-V218 HydrophobicContact CG-CB 4.47Å; K208-V218 HydrophobicContact CG-CG2 4.04Å; I211-V218 HydrophobicContact CB-CG2 4.46Å; I211-V218 HydrophobicContact CD1-CG2 3.85Å; I211-V218 HydrophobicContact CG2-CG2 4.02Å; V218-R222 WeakPolarHBondContact CA-O 3.32Å
219	D	97.7	Very high	97.3	Very high	96 Å²	96	55.1 Å²	55.1	51%	0.513	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.7	178.3	-177.4	36.3	0	0	0	110.2	K221 R222	D219-K221 PolarHBondContact O-N 2.8Å; D219-K221 VanDerWaalsContact O-N 3.08Å; D219-R222 PolarHBondContact N-O 3.04Å; D219-R222 WeakPolarHBondContact O-CA 3.25Å; D219-R222 WeakPolarHBondContact O-CB 3.22Å; D219-R222 PolarHBondContact O-N 2.93Å; D219-R222 VanDerWaalsContact O-O 3.07Å
220	A	95.3	Very high	97.3	Very high	77 Å²	77	50.1 Å²	50.1	64%	0.636	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.6	40	-174.8	0	0	0	0	0	114.5	R222	A220-R222 PolarHBondContact O-N 3.14Å
221	K	96.3	Very high	97.3	Very high	160 Å²	160	49.9 Å²	49.9	70%	0.696	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	13.9	-175.2	-48	-179.4	179.7	176.3	0	115.3	T203 D219	T203-K221 HydrophobicContact CG2-CB 3.65Å; T203-K221 HydrophobicContact CG2-CD 4.42Å; T203-K221 HydrophobicContact CG2-CG 3.74Å; D219-K221 PolarHBondContact O-N 2.8Å; D219-K221 VanDerWaalsContact O-N 3.08Å
222	R	98.1	Very high	97.3	Very high	87 Å²	87	49.9 Å²	49.9	33%	0.328	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.2	-177.8	-68.2	176.2	172.4	-84.6	-12.8	111.8	V218 D219 A220 N224 G225 N226 L227	V218-R222 WeakPolarHBondContact CA-O 3.32Å; D219-R222 PolarHBondContact N-O 3.04Å; D219-R222 WeakPolarHBondContact O-CA 3.25Å; D219-R222 WeakPolarHBondContact O-CB 3.22Å; D219-R222 PolarHBondContact O-N 2.93Å; D219-R222 VanDerWaalsContact O-O 3.07Å; A220-R222 PolarHBondContact O-N 3.14Å; R222-N224 PolarHBondContact O-N 2.86Å; R222-G225 PolarHBondContact O-N 2.88Å; R222-N226 WeakPolarHBondContact CD-O 3.3Å; R222-N226 PolarHBondContact NH1-O 2.83Å; R222-L227 CarbonylContact C-O 3.26Å; R222-L227 WeakPolarHBondContact CA-O 3.39Å; R222-L227 VanDerWaalsContact CB-O 3.31Å; R222-L227 WeakPolarHBondContact CB-O 3.39Å
223	V	98	Very high	97.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	123.5	169.1	179.4	0	0	0	0	109	P202 I211 G225 N226 L227 L229 F238 I250 V251	P202-V223 HydrophobicContact CB-CG2 3.96Å; P202-V223 HydrophobicContact CG-CG2 3.57Å; I211-V223 HydrophobicContact CD1-CG2 3.81Å; I211-V223 HydrophobicContact CG1-CG2 4.48Å; V223-G225 PolarHBondContact O-N 2.84Å; V223-N226 PolarHBondContact O-N 2.87Å; V223-L227 HydrophobicContact CB-CB 4.28Å; V223-L227 PolarHBondContact N-O 2.85Å; V223-L227 PolarHBondContact O-N 3.25Å; V223-L227 VanDerWaalsContact O-N 3.16Å; V223-L229 WeakPolarHBondContact CG2-O 3.34Å; V223-F238 HydrophobicContact CG1-CD1 3.91Å; V223-F238 HydrophobicContact CG1-CE1 3.82Å; V223-I250 HydrophobicContact CG1-CG2 3.28Å; V223-V251 HydrophobicContact CG1-CG2 4.24Å; V223-V251 HydrophobicContact CG2-CG2 4.48Å
224	N	97.3	Very high	97.3	Very high	39 Å²	39	43.7 Å²	43.7	21%	0.209	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	30.2	-176.4	-59.3	-6.5	0	0	0	113.2	G216 W217 R222 N226 F238	G216-N224 VanDerWaalsContact CA-OD1 3.29Å; G216-N224 WeakPolarHBondContact CA-OD1 3.45Å; W217-N224 HydrophobicContact CD2-CB 4.26Å; W217-N224 HydrophobicContact CE3-CB 4.49Å; W217-N224 HydrophobicContact CH2-CB 3.99Å; W217-N224 HydrophobicContact CZ2-CB 3.73Å; W217-N224 HydrophobicContact CZ3-CB 4.37Å; W217-N224 PolarHBondContact N-OD1 3Å; W217-N224 PolarHBondContact O-N 2.99Å; W217-N224 PolarHBondContact O-OD1 2.87Å; R222-N224 PolarHBondContact O-N 2.86Å; N224-N226 PolarHBondContact O-N 2.85Å; N224-F238 HydrophobicContact CB-CE1 4.22Å
225	G	95.7	Very high	97.2	Very high	33 Å²	33	43.7 Å²	43.7	34%	0.34	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	-1.5	-175.4	0	0	0	0	0	115.4	R222 V223	R222-G225 PolarHBondContact O-N 2.88Å; V223-G225 PolarHBondContact O-N 2.84Å
226	N	93.8	Very high	97.1	Very high	94 Å²	94	41 Å²	41	50%	0.503	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-58.9	-171.7	-171.3	21	0	0	0	113.6	R222 V223 N224	R222-N226 WeakPolarHBondContact CD-O 3.3Å; R222-N226 PolarHBondContact NH1-O 2.83Å; V223-N226 PolarHBondContact O-N 2.87Å; N224-N226 PolarHBondContact O-N 2.85Å
227	L	95.5	Very high	97	Very high	19 Å²	19	43.1 Å²	43.1	10%	0.099	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-94.5	132.4	-169.7	-175.6	66.4	0	0	0	112.1	R222 V223 L229 D235 F238 V251	R222-L227 CarbonylContact C-O 3.26Å; R222-L227 WeakPolarHBondContact CA-O 3.39Å; R222-L227 VanDerWaalsContact CB-O 3.31Å; R222-L227 WeakPolarHBondContact CB-O 3.39Å; V223-L227 HydrophobicContact CB-CB 4.28Å; V223-L227 PolarHBondContact N-O 2.85Å; V223-L227 PolarHBondContact O-N 3.25Å; V223-L227 VanDerWaalsContact O-N 3.16Å; L227-L229 VanDerWaalsContact C-N 3.3Å; L227-L229 HydrophobicContact CD2-CB 4.37Å; L227-L229 HydrophobicContact CG-CB 4.19Å; L227-L229 PolarHBondContact O-N 2.63Å; L227-D235 HydrophobicContact CD2-CB 4.34Å; L227-F238 HydrophobicContact CB-CE2 4.42Å; L227-F238 HydrophobicContact CB-CZ 4.28Å; L227-F238 HydrophobicContact CD2-CE2 4.24Å; L227-V251 HydrophobicContact CD2-CG1 4.39Å; L227-V251 HydrophobicContact CD2-CG2 3.71Å
228	A	95.6	Very high	96.9	Very high	35 Å²	35	36.9 Å²	36.9	29%	0.289	21%	0.207	S	C	.	.	S	Bend	trans	-80.9	-8.9	-178.4	0	0	0	0	0	114.3	P202	P202-A228 WeakPolarHBondContact CD-O 3.23Å
229	L	96.7	Very high	96.8	Very high	11 Å²	11	36.1 Å²	36.1	6%	0.058	20%	0.201	C	C	.	.			trans	-105.6	143.7	-177.6	-55.5	172.8	0	0	0	110.1	T164 D182 V223 L227 A232	T164-L229 HydrophobicContact CG2-CD1 3.87Å; T164-L229 HydrophobicContact CG2-CD2 4.3Å; D182-L229 HydrophobicContact CB-CD2 4.01Å; D182-L229 WeakPolarHBondContact OD1-CD2 3.45Å; D182-L229 WeakPolarHBondContact OD2-CD2 3.3Å; V223-L229 WeakPolarHBondContact CG2-O 3.34Å; L227-L229 VanDerWaalsContact C-N 3.3Å; L227-L229 HydrophobicContact CD2-CB 4.37Å; L227-L229 HydrophobicContact CG-CB 4.19Å; L227-L229 PolarHBondContact O-N 2.63Å; L229-A232 HydrophobicContact CD1-CB 4.46Å
230	S	98.4	Very high	96.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-97	-17.4	171.1	61.6	0	0	0	0	113.3	H200 E207 R210 V251	H200-S230 WeakPolarHBondContact CB-OG 3.48Å; H200-S230 PolarHBondContact O-N 2.85Å; H200-S230 VanDerWaalsContact O-N 3.1Å; H200-S230 PolarHBondContact O-OG 2.98Å; E207-S230 WeakPolarHBondContact CG-OG 3.32Å; E207-S230 VanDerWaalsContact OE2-CB 3.31Å; E207-S230 WeakPolarHBondContact OE2-CB 3.48Å; E207-S230 PolarHBondContact OE2-OG 2.87Å; R210-S230 PolarHBondContact NH2-O 3.42Å; S230-V251 WeakPolarHBondContact O-CA 3.46Å
231	R	98.8	Very high	96.6	Very high	21 Å²	21	35.7 Å²	35.7	8%	0.079	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-137	138.2	177.3	-57.1	-160.7	-157.7	173.6	10.5	110.4	A180 G181 H200 E207 T252 N254 D256	A180-R231 HydrophobicContact CB-CB 4.3Å; G181-R231 WeakPolarHBondContact CA-O 3.49Å; H200-R231 HydrophobicContact CB-CB 3.93Å; H200-R231 HydrophobicContact CB-CG 3.94Å; H200-R231 WeakPolarHBondContact ND1-CD 3.43Å; E207-R231 IonicContact OE1-CZ 3.15Å; E207-R231 IonicContact OE1-NE 3.79Å; E207-R231 PolarHBondContact OE1-NE 2.75Å; E207-R231 IonicContact OE1-NH2 3.33Å; E207-R231 PolarHBondContact OE1-NH2 3.08Å; E207-R231 WeakPolarHBondContact OE2-CG 3.26Å; E207-R231 IonicContact OE2-NE 3.69Å; E207-R231 PolarHBondContact OE2-NE 3.14Å; E207-R231 VanDerWaalsContact OE2-NE 3.12Å; R231-T252 CarbonylContact C-O 3.58Å; R231-T252 WeakPolarHBondContact CA-O 3.36Å; R231-T252 WeakPolarHBondContact CB-O 3.31Å; R231-T252 HydrophobicContact CG-CG2 3.82Å; R231-N254 WeakPolarHBondContact CD-O 3.33Å; R231-N254 PolarHBondContact NH1-O 3.01Å; R231-D256 IonicContact CZ-OD1 2.8Å; R231-D256 IonicContact NH1-OD1 2.71Å; R231-D256 PolarHBondContact NH1-OD1 3.1Å; R231-D256 IonicContact NH2-OD1 2.78Å; R231-D256 PolarHBondContact NH2-OD1 3.32Å; R231-D256 IonicContact NH2-OD2 2.99Å
232	A	98.7	Very high	96.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.			trans	-169.8	156.8	-179.3	0	0	0	0	0	110.6	S163 L229 D235 K239 V251 T252 A253	S163-A232 CarbonylContact O-C 3.53Å; S163-A232 WeakPolarHBondContact O-CA 3.35Å; S163-A232 WeakPolarHBondContact O-CB 3.39Å; L229-A232 HydrophobicContact CD1-CB 4.46Å; A232-D235 WeakPolarHBondContact CB-OD2 3.17Å; A232-K239 PolarHBondContact O-NZ 3.43Å; A232-V251 HydrophobicContact CB-CG1 4.14Å; A232-T252 PolarHBondContact N-O 3.01Å; A232-T252 CarbonylContact O-C 3.48Å; A232-A253 WeakPolarHBondContact O-CA 3.12Å; A232-A253 PolarHBondContact O-N 2.94Å
233	F	98.6	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	152.2	156.7	-68.2	-70.7	0	0	0	110	F58 V66 A70 L74 F97 M100 D101 G162 S163 A253	F58-F233 HydrophobicContact CD1-CD2 4.49Å; F58-F233 HydrophobicContact CD1-CE2 4.41Å; F58-F233 HydrophobicContact CE1-CE2 4.09Å; V66-F233 HydrophobicContact CG1-CB 3.55Å; A70-F233 HydrophobicContact CB-CD2 4.18Å; A70-F233 HydrophobicContact CB-CE2 4.34Å; L74-F233 HydrophobicContact CD1-CZ 4.35Å; L74-F233 HydrophobicContact CD2-CE2 4.19Å; L74-F233 HydrophobicContact CD2-CZ 3.98Å; F97-F233 HydrophobicContact CB-CE1 4.12Å; F97-F233 HydrophobicContact CB-CZ 4.06Å; F97-F233 AromaticContact CD1-CE1 3.9Å; F97-F233 HydrophobicContact CD1-CE1 3.9Å; F97-F233 AromaticContact CD1-CE2 3.7Å; F97-F233 HydrophobicContact CD1-CE2 3.7Å; F97-F233 AromaticContact CD1-CZ 3.16Å; F97-F233 HydrophobicContact CD1-CZ 3.16Å; F97-F233 HydrophobicContact CD2-CZ 4.2Å; F97-F233 AromaticContact CE1-CE2 3.64Å; F97-F233 HydrophobicContact CE1-CE2 3.64Å; F97-F233 AromaticContact CE1-CZ 3.55Å; F97-F233 HydrophobicContact CE1-CZ 3.55Å; F97-F233 HydrophobicContact CG-CE1 4.11Å; F97-F233 HydrophobicContact CG-CE2 4.45Å; F97-F233 AromaticContact CG-CZ 3.54Å; F97-F233 HydrophobicContact CG-CZ 3.54Å; F97-F233 HydrophobicContact CZ-CE2 4.37Å; F97-F233 HydrophobicContact CZ-CZ 4.24Å; F97-F233 WeakPolarHBondContact O-CE1 3.45Å; M100-F233 HydrophobicContact CE-CD1 3.72Å; M100-F233 HydrophobicContact CE-CD2 4.45Å; M100-F233 HydrophobicContact CE-CE1 3.14Å; M100-F233 HydrophobicContact CE-CE2 3.95Å; M100-F233 HydrophobicContact CE-CG 4.34Å; M100-F233 HydrophobicContact CE-CZ 3.26Å; D101-F233 HydrophobicContact CB-CD1 3.98Å; D101-F233 HydrophobicContact CB-CE1 4.41Å; D101-F233 WeakPolarHBondContact OD1-CA 3.25Å; G162-F233 CarbonylContact C-O 3.51Å; G162-F233 WeakPolarHBondContact CA-O 3.25Å; S163-F233 PolarHBondContact N-O 3.13Å; S163-F233 PolarHBondContact O-N 3.47Å; F233-A253 HydrophobicContact CD1-CB 3.96Å; F233-A253 HydrophobicContact CE1-CB 4.17Å
234	G	97.8	Very high	96.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-139.2	-180	0	0	0	0	0	111.8	D101 A161 F236 K239	D101-G234 PolarHBondContact OD1-N 3.37Å; A161-G234 CarbonylContact O-C 3.5Å; A161-G234 WeakPolarHBondContact O-CA 3.41Å; G234-F236 PolarHBondContact O-N 3.24Å; G234-F236 VanDerWaalsContact O-N 3.11Å; G234-K239 WeakPolarHBondContact O-CD 3.26Å; G234-K239 WeakPolarHBondContact O-CE 3.48Å; G234-K239 PolarHBondContact O-NZ 3.45Å
235	D	96.9	Very high	96.5	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	22%	0.22	C	C	.	.			trans	52	38.5	-180	-74.2	-53.5	0	0	0	111.4	H61 E159 A161 L227 A232 V237 F238 V251	H61-D235 IonicContact CD2-OD1 2.88Å; H61-D235 IonicContact CE1-OD1 3.88Å; H61-D235 IonicContact CE1-OD2 2.75Å; H61-D235 PolarHBondContact CE1-OD2 3.44Å; H61-D235 VanDerWaalsContact NE2-CG 3.29Å; H61-D235 IonicContact NE2-OD1 2.58Å; H61-D235 PolarHBondContact NE2-OD1 3Å; H61-D235 IonicContact NE2-OD2 3.55Å; H61-D235 PolarHBondContact NE2-OD2 2.95Å; E159-D235 CarbonylContact O-C 3.57Å; A161-D235 PolarHBondContact O-N 2.86Å; L227-D235 HydrophobicContact CD2-CB 4.34Å; A232-D235 WeakPolarHBondContact CB-OD2 3.17Å; D235-V237 PolarHBondContact O-N 3.43Å; D235-F238 HydrophobicContact CB-CD2 3.9Å; D235-F238 WeakPolarHBondContact O-CB 3.29Å; D235-F238 WeakPolarHBondContact O-CD2 3.06Å; D235-F238 PolarHBondContact O-N 3.06Å; D235-V251 HydrophobicContact CB-CB 4.48Å; D235-V251 HydrophobicContact CB-CG1 4.09Å
236	F	95.9	Very high	96.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.2	-22.4	-164.1	-60.4	-56.8	0	0	0	113.8	M104 Q105 M108 T109 E159 G234 F238 K239 R240	M104-F236 HydrophobicContact CB-CE1 4.35Å; M104-F236 HydrophobicContact CB-CZ 3.62Å; Q105-F236 VanDerWaalsContact CA-CE1 3.44Å; Q105-F236 HydrophobicContact CB-CD1 3.48Å; Q105-F236 VanDerWaalsContact CB-CD1 3.48Å; Q105-F236 HydrophobicContact CB-CE1 3.45Å; Q105-F236 VanDerWaalsContact CB-CE1 3.45Å; Q105-F236 HydrophobicContact CB-CG 4.18Å; Q105-F236 HydrophobicContact CB-CZ 4.1Å; Q105-F236 HydrophobicContact CG-CB 4.17Å; Q105-F236 HydrophobicContact CG-CD1 3.49Å; Q105-F236 VanDerWaalsContact CG-CD1 3.49Å; Q105-F236 HydrophobicContact CG-CE1 4.03Å; Q105-F236 HydrophobicContact CG-CG 3.86Å; Q105-F236 VanDerWaalsContact N-CZ 3.33Å; M108-F236 HydrophobicContact CB-CE2 4.25Å; T109-F236 HydrophobicContact CG2-CB 4.09Å; T109-F236 HydrophobicContact CG2-CD2 3.54Å; T109-F236 HydrophobicContact CG2-CE2 4.24Å; T109-F236 HydrophobicContact CG2-CG 4Å; E159-F236 PolarHBondContact O-N 3.36Å; G234-F236 PolarHBondContact O-N 3.24Å; G234-F236 VanDerWaalsContact O-N 3.11Å; F236-F238 PolarHBondContact O-N 3.11Å; F236-K239 HydrophobicContact CD1-CD 4.27Å; F236-K239 PolarHBondContact O-N 2.99Å; F236-K239 VanDerWaalsContact O-N 3.08Å; F236-R240 WeakPolarHBondContact O-CG 3.35Å
237	V	94.6	Very high	96.8	Very high	54 Å²	54	39.2 Å²	39.2	33%	0.327	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-58	-27.8	173	74.2	0	0	0	0	112.3	E159 L160 D235	E159-V237 PolarHBondContact O-N 2.87Å; L160-V237 HydrophobicContact CD2-CB 4.39Å; L160-V237 HydrophobicContact CD2-CG1 3.65Å; D235-V237 PolarHBondContact O-N 3.43Å
238	F	96.7	Very high	96.9	Very high	14 Å²	14	42 Å²	42	6%	0.061	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-90	-0.7	-179.6	-60	-80	0	0	0	113.6	V223 N224 L227 D235 F236 I250 V251	V223-F238 HydrophobicContact CG1-CD1 3.91Å; V223-F238 HydrophobicContact CG1-CE1 3.82Å; N224-F238 HydrophobicContact CB-CE1 4.22Å; L227-F238 HydrophobicContact CB-CE2 4.42Å; L227-F238 HydrophobicContact CB-CZ 4.28Å; L227-F238 HydrophobicContact CD2-CE2 4.24Å; D235-F238 HydrophobicContact CB-CD2 3.9Å; D235-F238 WeakPolarHBondContact O-CB 3.29Å; D235-F238 WeakPolarHBondContact O-CD2 3.06Å; D235-F238 PolarHBondContact O-N 3.06Å; F236-F238 PolarHBondContact O-N 3.11Å; F238-I250 HydrophobicContact CB-CB 4.12Å; F238-I250 HydrophobicContact CB-CG2 4.33Å; F238-I250 HydrophobicContact CD1-CB 4.46Å; F238-I250 HydrophobicContact CD1-CG2 3.88Å; F238-I250 WeakPolarHBondContact O-CB 3.41Å; F238-I250 PolarHBondContact O-N 2.91Å; F238-V251 HydrophobicContact CB-CB 3.72Å; F238-V251 HydrophobicContact CB-CG2 3.6Å; F238-V251 HydrophobicContact CD1-CG2 4.21Å; F238-V251 HydrophobicContact CD2-CG2 3.96Å; F238-V251 HydrophobicContact CG-CB 4.31Å; F238-V251 HydrophobicContact CG-CG2 3.67Å
239	K	96.5	Very high	97.1	Very high	16 Å²	16	40.9 Å²	40.9	7%	0.07	22%	0.216	C	C	.	.	S	Bend	trans	-115	33.2	-173.6	-65.5	175.5	-178	173.3	0	112.9	D101 Q105 A232 G234 F236 Q249 V251	D101-K239 IonicContact OD1-NZ 3.11Å; D101-K239 PolarHBondContact OD1-NZ 3.44Å; D101-K239 WeakPolarHBondContact OD2-CD 3.29Å; D101-K239 WeakPolarHBondContact OD2-CE 3.2Å; D101-K239 IonicContact OD2-NZ 3.42Å; D101-K239 PolarHBondContact OD2-NZ 3.22Å; Q105-K239 PolarHBondContact NE2-O 3.46Å; A232-K239 PolarHBondContact O-NZ 3.43Å; G234-K239 WeakPolarHBondContact O-CD 3.26Å; G234-K239 WeakPolarHBondContact O-CE 3.48Å; G234-K239 PolarHBondContact O-NZ 3.45Å; F236-K239 HydrophobicContact CD1-CD 4.27Å; F236-K239 PolarHBondContact O-N 2.99Å; F236-K239 VanDerWaalsContact O-N 3.08Å; K239-Q249 HydrophobicContact CB-CB 4.45Å; K239-Q249 HydrophobicContact CB-CG 4.16Å; K239-Q249 HydrophobicContact CG-CB 4.14Å; K239-Q249 HydrophobicContact CG-CG 4.29Å; K239-V251 VanDerWaalsContact CE-O 3.26Å; K239-V251 WeakPolarHBondContact CE-O 3.47Å; K239-V251 WeakPolarHBondContact CG-O 3.05Å
240	R	92.4	Very high	97.2	Very high	127 Å²	127	41.3 Å²	41.3	48%	0.479	22%	0.218	S	C	.	.			trans	-113.2	4.4	-170.5	-68.6	-179.7	168.9	167.5	-5	114.5	E159 F236 P242	E159-R240 IonicContact OE1-CZ 3.12Å; E159-R240 IonicContact OE1-NH1 2.91Å; E159-R240 IonicContact OE1-NH2 2.67Å; E159-R240 PolarHBondContact OE1-NH2 2.84Å; E159-R240 IonicContact OE2-CZ 2.72Å; E159-R240 IonicContact OE2-NH1 3.69Å; E159-R240 PolarHBondContact OE2-NH1 2.83Å; E159-R240 IonicContact OE2-NH2 3.99Å; E159-R240 PolarHBondContact OE2-NH2 3.42Å; F236-R240 WeakPolarHBondContact O-CG 3.35Å; R240-P242 WeakPolarHBondContact O-CD 3.39Å
241	N	96.2	Very high	97.2	Very high	37 Å²	37	41.3 Å²	41.3	20%	0.198	22%	0.218	C	C	.	.			trans	-75.4	110.4	179	-173.5	-25.7	0	0	0	109.2	A214 H243 Q244 Q249	A214-N241 PolarHBondContact O-ND2 2.92Å; N241-H243 PolarHBondContact O-N 2.95Å; N241-H243 WeakPolarHBondContact OD1-CB 3.45Å; N241-H243 PolarHBondContact OD1-N 3.27Å; N241-Q244 HydrophobicContact CB-CB 4.16Å; N241-Q244 HydrophobicContact CB-CG 4.11Å; N241-Q244 PolarHBondContact O-N 3.34Å; N241-Q249 PolarHBondContact O-NE2 2.94Å
242	P	95	Very high	97.2	Very high	111 Å²	111	40.3 Å²	40.3	72%	0.721	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-11.3	-176.2	33	-36.9	0	0	0	112.8	R240	R240-P242 WeakPolarHBondContact O-CD 3.39Å
243	H	96.8	Very high	97.2	Very high	166 Å²	166	40.3 Å²	40.3	77%	0.769	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	2.8	177.9	-54	-58.7	0	0	0	112.6	N241	N241-H243 PolarHBondContact O-N 2.95Å; N241-H243 WeakPolarHBondContact OD1-CB 3.45Å; N241-H243 PolarHBondContact OD1-N 3.27Å
244	Q	97.6	Very high	97.2	Very high	54 Å²	54	41.7 Å²	41.7	25%	0.252	22%	0.222	S	C	.	.	S	Bend	trans	-119.3	144.8	177.7	-66.9	-66.5	3.8	0	0	111.2	A213 A214 N241 N248 Q249	A213-Q244 PolarHBondContact O-NE2 3.48Å; A214-Q244 HydrophobicContact CB-CG 4.22Å; N241-Q244 HydrophobicContact CB-CB 4.16Å; N241-Q244 HydrophobicContact CB-CG 4.11Å; N241-Q244 PolarHBondContact O-N 3.34Å; Q244-N248 HydrophobicContact CB-CB 4.27Å; Q244-N248 WeakPolarHBondContact CG-O 3.12Å; Q244-N248 VanDerWaalsContact OE1-CB 3.29Å; Q244-Q249 PolarHBondContact O-NE2 2.85Å
245	S	98.1	Very high	97.2	Very high	51 Å²	51	42 Å²	42	36%	0.357	22%	0.223	S	C	.	.			trans	-69.6	167.6	169.1	75.5	0	0	0	0	110.8	E247 N248 Q249	S245-E247 WeakPolarHBondContact CB-OE2 3.28Å; S245-E247 PolarHBondContact O-N 3.02Å; S245-E247 PolarHBondContact OG-OE2 2.93Å; S245-N248 CarbonylContact O-C 3.55Å; S245-N248 PolarHBondContact O-N 3.22Å; S245-N248 PolarHBondContact OG-ND2 3.32Å; S245-Q249 WeakPolarHBondContact O-CG 3.37Å; S245-Q249 PolarHBondContact O-N 3.41Å; S245-Q249 PolarHBondContact O-NE2 3.46Å
246	A	97.9	Very high	97.3	Very high	53 Å²	53	45.4 Å²	45.4	44%	0.438	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-57.9	-33.2	178.6	0	0	0	0	0	112.4	L98 N248 T252	L98-A246 HydrophobicContact CD2-CB 3.99Å; A246-N248 VanDerWaalsContact C-N 3.32Å; A246-N248 PolarHBondContact O-N 3Å; A246-T252 WeakPolarHBondContact O-CB 3.21Å; A246-T252 PolarHBondContact O-OG1 3.13Å
247	E	98.1	Very high	97.4	Very high	52 Å²	52	46.4 Å²	46.4	24%	0.243	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-71.7	-24.1	176.9	-54.9	89.3	163.6	0	0	113.8	R94 L98 R210 S245 T252 N254	R94-E247 IonicContact CZ-OE1 3.41Å; R94-E247 IonicContact NH1-OE1 2.76Å; R94-E247 PolarHBondContact NH1-OE1 3.45Å; L98-E247 HydrophobicContact CD1-CG 3.72Å; L98-E247 WeakPolarHBondContact CD1-OE1 2.83Å; L98-E247 HydrophobicContact CD2-CG 4.31Å; R210-E247 WeakPolarHBondContact CD-O 3.37Å; S245-E247 WeakPolarHBondContact CB-OE2 3.28Å; S245-E247 PolarHBondContact O-N 3.02Å; S245-E247 PolarHBondContact OG-OE2 2.93Å; E247-T252 WeakPolarHBondContact CA-OG1 3.43Å; E247-N254 HydrophobicContact CB-CB 4.06Å; E247-N254 HydrophobicContact CG-CB 3.99Å
248	N	98.4	Very high	97.6	Very high	76 Å²	76	47.6 Å²	47.6	41%	0.406	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-111	16.4	-172	-66.4	-49.2	0	0	0	113	A214 Q244 S245 A246	A214-N248 VanDerWaalsContact CB-O 3.31Å; A214-N248 WeakPolarHBondContact CB-O 3.4Å; Q244-N248 HydrophobicContact CB-CB 4.27Å; Q244-N248 WeakPolarHBondContact CG-O 3.12Å; Q244-N248 VanDerWaalsContact OE1-CB 3.29Å; S245-N248 CarbonylContact O-C 3.55Å; S245-N248 PolarHBondContact O-N 3.22Å; S245-N248 PolarHBondContact OG-ND2 3.32Å; A246-N248 VanDerWaalsContact C-N 3.32Å; A246-N248 PolarHBondContact O-N 3Å
249	Q	98.6	Very high	97.7	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.061	26%	0.261	C	S	.	.	S	Bend	trans	-68.1	167.7	170.6	-65.9	-61.1	-35.7	0	0	111.6	R210 K239 N241 Q244 S245 V251	R210-Q249 WeakPolarHBondContact CD-O 3.26Å; R210-Q249 PolarHBondContact NE-O 2.93Å; K239-Q249 HydrophobicContact CB-CB 4.45Å; K239-Q249 HydrophobicContact CB-CG 4.16Å; K239-Q249 HydrophobicContact CG-CB 4.14Å; K239-Q249 HydrophobicContact CG-CG 4.29Å; N241-Q249 PolarHBondContact O-NE2 2.94Å; Q244-Q249 PolarHBondContact O-NE2 2.85Å; S245-Q249 WeakPolarHBondContact O-CG 3.37Å; S245-Q249 PolarHBondContact O-N 3.41Å; S245-Q249 PolarHBondContact O-NE2 3.46Å; Q249-V251 VanDerWaalsContact CB-O 3.27Å; Q249-V251 WeakPolarHBondContact CB-O 3.13Å; Q249-V251 PolarHBondContact O-N 3.04Å
250	I	98.4	Very high	97.8	Very high	20 Å²	20	50 Å²	50	10%	0.103	26%	0.262	C	S	.	.	S	Bend	trans	-57.7	-51.9	178.5	-64	172.7	0	0	0	109.6	I211 A214 V223 F238	I211-I250 HydrophobicContact CG1-CG2 4.44Å; I211-I250 VanDerWaalsContact CG1-O 3.27Å; I211-I250 WeakPolarHBondContact CG1-O 3.27Å; I211-I250 HydrophobicContact CG2-CG2 4.21Å; A214-I250 HydrophobicContact CB-CB 4.32Å; A214-I250 HydrophobicContact CB-CG1 3.56Å; V223-I250 HydrophobicContact CG1-CG2 3.28Å; F238-I250 HydrophobicContact CB-CB 4.12Å; F238-I250 HydrophobicContact CB-CG2 4.33Å; F238-I250 HydrophobicContact CD1-CB 4.46Å; F238-I250 HydrophobicContact CD1-CG2 3.88Å; F238-I250 WeakPolarHBondContact O-CB 3.41Å; F238-I250 PolarHBondContact O-N 2.91Å
251	V	98.6	Very high	98.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-111.5	133.4	165.7	179.1	0	0	0	0	106.8	V223 L227 S230 A232 D235 F238 K239 Q249	V223-V251 HydrophobicContact CG1-CG2 4.24Å; V223-V251 HydrophobicContact CG2-CG2 4.48Å; L227-V251 HydrophobicContact CD2-CG1 4.39Å; L227-V251 HydrophobicContact CD2-CG2 3.71Å; S230-V251 WeakPolarHBondContact O-CA 3.46Å; A232-V251 HydrophobicContact CB-CG1 4.14Å; D235-V251 HydrophobicContact CB-CB 4.48Å; D235-V251 HydrophobicContact CB-CG1 4.09Å; F238-V251 HydrophobicContact CB-CB 3.72Å; F238-V251 HydrophobicContact CB-CG2 3.6Å; F238-V251 HydrophobicContact CD1-CG2 4.21Å; F238-V251 HydrophobicContact CD2-CG2 3.96Å; F238-V251 HydrophobicContact CG-CB 4.31Å; F238-V251 HydrophobicContact CG-CG2 3.67Å; K239-V251 VanDerWaalsContact CE-O 3.26Å; K239-V251 WeakPolarHBondContact CE-O 3.47Å; K239-V251 WeakPolarHBondContact CG-O 3.05Å; Q249-V251 VanDerWaalsContact CB-O 3.27Å; Q249-V251 WeakPolarHBondContact CB-O 3.13Å; Q249-V251 PolarHBondContact O-N 3.04Å
252	T	98.7	Very high	98.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-126.5	147.9	179.9	-178.1	0	0	0	0	110.8	R231 A232 A246 E247 N254	R231-T252 CarbonylContact C-O 3.58Å; R231-T252 WeakPolarHBondContact CA-O 3.36Å; R231-T252 WeakPolarHBondContact CB-O 3.31Å; R231-T252 HydrophobicContact CG-CG2 3.82Å; A232-T252 PolarHBondContact N-O 3.01Å; A232-T252 CarbonylContact O-C 3.48Å; A246-T252 WeakPolarHBondContact O-CB 3.21Å; A246-T252 PolarHBondContact O-OG1 3.13Å; E247-T252 WeakPolarHBondContact CA-OG1 3.43Å; T252-N254 VanDerWaalsContact C-N 3.27Å; T252-N254 HydrophobicContact CG2-CB 4.03Å; T252-N254 WeakPolarHBondContact OG1-CB 3.34Å; T252-N254 PolarHBondContact OG1-N 2.81Å
253	A	98.7	Very high	98.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.			trans	-82.8	-3.8	167.8	0	0	0	0	0	112.5	F97 D101 A232 F233 P255	F97-A253 WeakPolarHBondContact CD1-O 3.13Å; D101-A253 HydrophobicContact CB-CB 3.53Å; D101-A253 VanDerWaalsContact CG-CB 3.48Å; A232-A253 WeakPolarHBondContact O-CA 3.12Å; A232-A253 PolarHBondContact O-N 2.94Å; F233-A253 HydrophobicContact CD1-CB 3.96Å; F233-A253 HydrophobicContact CE1-CB 4.17Å; A253-P255 VanDerWaalsContact O-CD 3.23Å; A253-P255 WeakPolarHBondContact O-CD 3.12Å; A253-P255 VanDerWaalsContact O-N 3.11Å
254	N	98.8	Very high	98.2	Very high	29 Å²	29	40.7 Å²	40.7	16%	0.155	21%	0.213	C	C	.	.			trans	-58.3	114.6	-179.2	-172.8	44	0	0	0	111.2	R94 L98 R231 E247 T252	R94-N254 WeakPolarHBondContact CG-OD1 3.37Å; L98-N254 HydrophobicContact CD2-CB 3.93Å; R231-N254 WeakPolarHBondContact CD-O 3.33Å; R231-N254 PolarHBondContact NH1-O 3.01Å; E247-N254 HydrophobicContact CB-CB 4.06Å; E247-N254 HydrophobicContact CG-CB 3.99Å; T252-N254 VanDerWaalsContact C-N 3.27Å; T252-N254 HydrophobicContact CG2-CB 4.03Å; T252-N254 WeakPolarHBondContact OG1-CB 3.34Å; T252-N254 PolarHBondContact OG1-N 2.81Å
255	P	98.8	Very high	98.1	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.032	22%	0.221	C	C	.	.			trans	-83.1	152.4	-175.4	33.7	-34.7	0	0	0	111.3	I93 R94 F97 N179 A253 V257	I93-P255 HydrophobicContact CG2-CG 4.33Å; R94-P255 HydrophobicContact CB-CG 4.46Å; R94-P255 HydrophobicContact CG-CG 4.43Å; F97-P255 HydrophobicContact CB-CG 3.88Å; F97-P255 HydrophobicContact CD1-CB 3.78Å; F97-P255 HydrophobicContact CD1-CG 3.9Å; F97-P255 HydrophobicContact CD2-CB 4.4Å; F97-P255 HydrophobicContact CD2-CG 3.93Å; F97-P255 HydrophobicContact CE1-CB 3.9Å; F97-P255 HydrophobicContact CE1-CG 4.4Å; F97-P255 HydrophobicContact CE2-CB 4.47Å; F97-P255 HydrophobicContact CE2-CG 4.4Å; F97-P255 HydrophobicContact CG-CB 4.05Å; F97-P255 HydrophobicContact CG-CG 3.64Å; F97-P255 HydrophobicContact CZ-CB 4.23Å; N179-P255 CarbonylContact O-C 3.49Å; N179-P255 WeakPolarHBondContact O-CA 3.38Å; N179-P255 WeakPolarHBondContact O-CB 3.4Å; A253-P255 VanDerWaalsContact O-CD 3.23Å; A253-P255 WeakPolarHBondContact O-CD 3.12Å; A253-P255 VanDerWaalsContact O-N 3.11Å; P255-V257 HydrophobicContact CB-CG2 4.38Å; P255-V257 HydrophobicContact CG-CG2 4.06Å
256	D	98.7	Very high	97.9	Very high	75 Å²	75	42.4 Å²	42.4	40%	0.401	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.4	155.9	-78.3	4	0	0	0	107.9	G178 N179 H200 R231	G178-D256 WeakPolarHBondContact CA-O 3.4Å; N179-D256 PolarHBondContact N-O 2.78Å; N179-D256 PolarHBondContact O-N 3.03Å; H200-D256 IonicContact NE2-OD1 3.57Å; H200-D256 IonicContact NE2-OD2 3.7Å; H200-D256 PolarHBondContact NE2-OD2 2.95Å; R231-D256 IonicContact CZ-OD1 2.8Å; R231-D256 IonicContact NH1-OD1 2.71Å; R231-D256 PolarHBondContact NH1-OD1 3.1Å; R231-D256 IonicContact NH2-OD1 2.78Å; R231-D256 PolarHBondContact NH2-OD1 3.32Å; R231-D256 IonicContact NH2-OD2 2.99Å
257	V	98.8	Very high	97.9	Very high	21 Å²	21	39.9 Å²	39.9	13%	0.127	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	108.3	-178.6	-169	0	0	0	0	111.1	K90 I93 C177 P255 V259	K90-V257 HydrophobicContact CB-CG1 4.36Å; K90-V257 WeakPolarHBondContact CE-O 3.41Å; K90-V257 HydrophobicContact CG-CB 3.77Å; K90-V257 HydrophobicContact CG-CG1 3.74Å; I93-V257 HydrophobicContact CB-CG2 4.24Å; I93-V257 HydrophobicContact CD1-CG1 4.08Å; I93-V257 HydrophobicContact CG2-CG1 4.48Å; I93-V257 HydrophobicContact CG2-CG2 3.81Å; C177-V257 CarbonylContact O-C 3.47Å; C177-V257 VanDerWaalsContact O-CA 3.29Å; C177-V257 WeakPolarHBondContact O-CA 3.39Å; P255-V257 HydrophobicContact CB-CG2 4.38Å; P255-V257 HydrophobicContact CG-CG2 4.06Å; V257-V259 HydrophobicContact CG1-CG2 4.24Å
258	F	98.6	Very high	97.9	Very high	79 Å²	79	37.5 Å²	37.5	35%	0.346	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	137.7	174	178.7	-99.6	0	0	0	110.4	L175 Y176 C177 L196 R260	L175-F258 HydrophobicContact CD2-CD1 4.27Å; Y176-F258 CarbonylContact C-O 3.5Å; Y176-F258 WeakPolarHBondContact CA-O 3.35Å; C177-F258 HydrophobicContact CB-CB 4.29Å; C177-F258 PolarHBondContact N-O 2.75Å; C177-F258 PolarHBondContact O-N 2.99Å; L196-F258 HydrophobicContact CB-CD1 4.37Å; L196-F258 HydrophobicContact CD2-CD1 4.06Å; L196-F258 HydrophobicContact CD2-CE1 3.7Å; L196-F258 VanDerWaalsContact O-CB 3.26Å; L196-F258 WeakPolarHBondContact O-CB 3.44Å; F258-R260 HydrophobicContact CE1-CB 4.05Å; F258-R260 HydrophobicContact CE1-CG 3.64Å; F258-R260 HydrophobicContact CZ-CB 4.19Å; F258-R260 HydrophobicContact CZ-CG 4.13Å
259	V	98.7	Very high	98	Very high	53 Å²	53	33.9 Å²	33.9	32%	0.321	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.7	-177.8	-174	0	0	0	0	109.6	K90 M174 L175 Y176 V257	K90-V259 HydrophobicContact CB-CG2 4.19Å; K90-V259 HydrophobicContact CD-CG2 4.32Å; K90-V259 HydrophobicContact CG-CG2 4.2Å; M174-V259 HydrophobicContact CE-CG1 3.69Å; L175-V259 WeakPolarHBondContact O-CA 3.32Å; Y176-V259 HydrophobicContact CD1-CB 4.25Å; Y176-V259 HydrophobicContact CD1-CG1 3.73Å; Y176-V259 HydrophobicContact CD1-CG2 3.57Å; Y176-V259 HydrophobicContact CE1-CB 4.43Å; Y176-V259 HydrophobicContact CE1-CG1 3.52Å; Y176-V259 HydrophobicContact CE1-CG2 4Å; Y176-V259 HydrophobicContact CG-CG1 4.49Å; V257-V259 HydrophobicContact CG1-CG2 4.24Å
260	R	98	Very high	98	Very high	27 Å²	27	33.3 Å²	33.3	10%	0.102	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	163.9	170.7	71.4	168.5	179	74.9	-14.3	112.6	L175 C187 R189 E194 F258 D267	L175-R260 HydrophobicContact CB-CG 4.47Å; L175-R260 PolarHBondContact N-O 2.97Å; L175-R260 PolarHBondContact O-N 3.07Å; C187-R260 PolarHBondContact SG-NH2 3.48Å; R189-R260 VanDerWaalsContact NH2-CZ 3.34Å; R189-R260 VanDerWaalsContact NH2-NH1 3.12Å; E194-R260 VanDerWaalsContact OE1-CD 3.31Å; E194-R260 WeakPolarHBondContact OE1-CD 3.21Å; E194-R260 IonicContact OE1-CZ 3.44Å; E194-R260 IonicContact OE1-NE 3.93Å; E194-R260 PolarHBondContact OE1-NE 2.9Å; E194-R260 IonicContact OE1-NH2 3.68Å; E194-R260 IonicContact OE2-CZ 3.07Å; E194-R260 VanDerWaalsContact OE2-CZ 3.32Å; E194-R260 IonicContact OE2-NE 2.76Å; E194-R260 PolarHBondContact OE2-NE 3.1Å; E194-R260 IonicContact OE2-NH2 3.84Å; E194-R260 PolarHBondContact OE2-NH2 3.38Å; F258-R260 HydrophobicContact CE1-CB 4.05Å; F258-R260 HydrophobicContact CE1-CG 3.64Å; F258-R260 HydrophobicContact CZ-CB 4.19Å; F258-R260 HydrophobicContact CZ-CG 4.13Å; R260-D267 IonicContact CZ-OD1 3.24Å; R260-D267 IonicContact CZ-OD2 3.04Å; R260-D267 IonicContact NH1-OD1 3.12Å; R260-D267 IonicContact NH1-OD2 3.13Å; R260-D267 PolarHBondContact NH1-OD2 2.83Å; R260-D267 IonicContact NH2-OD1 3.18Å; R260-D267 PolarHBondContact NH2-OD1 2.84Å; R260-D267 VanDerWaalsContact NH2-OD1 3.07Å; R260-D267 IonicContact NH2-OD2 3.19Å; R260-D267 PolarHBondContact NH2-OD2 3.2Å
261	R	98.3	Very high	98	Very high	167 Å²	167	32.4 Å²	32.4	63%	0.63	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	141.9	169.5	-165.8	172.2	-175.6	-94.1	2.3	110.6	M174	M174-R261 HydrophobicContact SD-CB 3.93Å; M174-R261 HydrophobicContact SD-CG 4.16Å
262	L	98.1	Very high	98	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-75.5	140.8	170.3	-70.9	175.8	0	0	0	111	L170 Q173 L175 D267 L333	L170-L262 HydrophobicContact CD2-CD1 4.2Å; Q173-L262 PolarHBondContact O-N 3.24Å; L175-L262 HydrophobicContact CB-CD2 4.07Å; L175-L262 HydrophobicContact CB-CG 4.21Å; L175-L262 HydrophobicContact CD1-CD2 3.84Å; L262-D267 VanDerWaalsContact CA-OD2 3.32Å; L262-D267 WeakPolarHBondContact CA-OD2 3.37Å; L262-D267 HydrophobicContact CD2-CB 4.44Å; L262-D267 WeakPolarHBondContact CD2-OD2 3.49Å; L262-L333 HydrophobicContact CD1-CD2 4.35Å; L262-L333 HydrophobicContact CD2-CD1 4.02Å
263	S	97	Very high	98	Very high	25 Å²	25	32.4 Å²	32.4	18%	0.175	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-92.3	121.8	167.8	179.6	0	0	0	0	109.5	E265 D266 D267	S263-E265 PolarHBondContact O-N 2.75Å; S263-E265 PolarHBondContact OG-N 2.76Å; S263-D266 WeakPolarHBondContact OG-CB 3.42Å; S263-D266 PolarHBondContact OG-N 3.16Å; S263-D266 VanDerWaalsContact OG-N 3.09Å; S263-D266 PolarHBondContact OG-OD2 3.22Å; S263-D267 PolarHBondContact N-OD2 3.12Å; S263-D267 WeakPolarHBondContact O-CB 3.31Å; S263-D267 PolarHBondContact O-N 3.32Å; S263-D267 VanDerWaalsContact O-N 3.16Å
264	V	95.3	Very high	98	Very high	52 Å²	52	32.4 Å²	32.4	32%	0.315	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.8	175.4	178.8	0	0	0	0	110.9	Q335 R337 K345	V264-Q335 VanDerWaalsContact CA-OE1 3.26Å; V264-R337 PolarHBondContact O-NH2 3.33Å; V264-K345 WeakPolarHBondContact O-CE 3.47Å; V264-K345 PolarHBondContact O-NZ 3.42Å
265	E	94.7	Very high	97.9	Very high	87 Å²	87	32.2 Å²	32.2	41%	0.407	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-31.8	-174.1	-69.1	-52.8	121.7	0	0	113.6	S263 R337 R348	S263-E265 PolarHBondContact O-N 2.75Å; S263-E265 PolarHBondContact OG-N 2.76Å; E265-R337 IonicContact OE1-CZ 3.96Å; E265-R337 IonicContact OE1-NH1 2.95Å; E265-R337 PolarHBondContact OE1-NH1 3.33Å; E265-R337 IonicContact OE1-NH2 3.96Å; E265-R348 PolarHBondContact O-NH1 3.42Å
266	D	95.7	Very high	97.9	Very high	53 Å²	53	32 Å²	32	28%	0.283	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.9	-34.3	-169.9	-50.7	-57.7	0	0	0	114	R189 R190 S263	R189-D266 CarbonylContact C-O 3.46Å; R189-D266 WeakPolarHBondContact CA-O 3.42Å; R189-D266 HydrophobicContact CG-CB 3.78Å; R190-D266 WeakPolarHBondContact CD-OD1 3.21Å; R190-D266 HydrophobicContact CG-CB 3.9Å; R190-D266 PolarHBondContact N-O 2.87Å; S263-D266 WeakPolarHBondContact OG-CB 3.42Å; S263-D266 PolarHBondContact OG-N 3.16Å; S263-D266 VanDerWaalsContact OG-N 3.09Å; S263-D266 PolarHBondContact OG-OD2 3.22Å
267	D	98	Very high	97.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.5	-179.5	-63	-31.3	0	0	0	109.5	R189 R260 L262 S263 L333	R189-D267 IonicContact CZ-OD1 2.84Å; R189-D267 IonicContact NE-OD1 3.2Å; R189-D267 PolarHBondContact NE-OD1 2.62Å; R189-D267 IonicContact NH2-OD1 3.94Å; R189-D267 PolarHBondContact NH2-OD1 3.14Å; R189-D267 IonicContact NH2-OD2 3.84Å; R189-D267 PolarHBondContact NH2-OD2 2.75Å; R260-D267 IonicContact CZ-OD1 3.24Å; R260-D267 IonicContact CZ-OD2 3.04Å; R260-D267 IonicContact NH1-OD1 3.12Å; R260-D267 IonicContact NH1-OD2 3.13Å; R260-D267 PolarHBondContact NH1-OD2 2.83Å; R260-D267 IonicContact NH2-OD1 3.18Å; R260-D267 PolarHBondContact NH2-OD1 2.84Å; R260-D267 VanDerWaalsContact NH2-OD1 3.07Å; R260-D267 IonicContact NH2-OD2 3.19Å; R260-D267 PolarHBondContact NH2-OD2 3.2Å; L262-D267 VanDerWaalsContact CA-OD2 3.32Å; L262-D267 WeakPolarHBondContact CA-OD2 3.37Å; L262-D267 HydrophobicContact CD2-CB 4.44Å; L262-D267 WeakPolarHBondContact CD2-OD2 3.49Å; S263-D267 PolarHBondContact N-OD2 3.12Å; S263-D267 WeakPolarHBondContact O-CB 3.31Å; S263-D267 PolarHBondContact O-N 3.32Å; S263-D267 VanDerWaalsContact O-N 3.16Å; D267-L333 HydrophobicContact CB-CD1 3.69Å
268	E	98.1	Very high	97.8	Very high	3 Å²	3	28 Å²	28	1%	0.014	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-54.8	-173.4	-60.9	173.1	151.5	0	0	110.8	S188 G191 R291 L333 L342 K345	S188-E268 PolarHBondContact O-N 3.05Å; S188-E268 PolarHBondContact OG-OE2 3.02Å; G191-E268 PolarHBondContact N-OE2 2.93Å; E268-R291 IonicContact OE1-CZ 3.76Å; E268-R291 IonicContact OE1-NE 3.69Å; E268-R291 PolarHBondContact OE1-NE 2.8Å; E268-R291 IonicContact OE1-NH2 3.95Å; E268-R291 PolarHBondContact OE1-NH2 3.34Å; E268-R291 IonicContact OE2-NE 3.29Å; E268-R291 PolarHBondContact OE2-NE 3.02Å; E268-L333 WeakPolarHBondContact O-CB 3.5Å; E268-L333 PolarHBondContact O-N 3.24Å; E268-L342 HydrophobicContact CB-CD1 3.91Å; E268-L342 WeakPolarHBondContact O-CD1 3.31Å; E268-K345 HydrophobicContact CG-CB 4.31Å
269	F	98.8	Very high	97.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	166.8	-178	57.1	-95.2	0	0	0	110.9	C187 S188 V271 V287 V290 R291 L294 L330 V331	C187-F269 WeakPolarHBondContact CA-O 3.44Å; C187-F269 PolarHBondContact SG-O 2.94Å; C187-F269 VanDerWaalsContact SG-O 3.42Å; S188-F269 VanDerWaalsContact CB-CE1 3.49Å; S188-F269 PolarHBondContact N-O 3.34Å; F269-V271 HydrophobicContact CD2-CG2 3.73Å; F269-V271 HydrophobicContact CE2-CG2 3.77Å; F269-V287 HydrophobicContact CE2-CG2 4.46Å; F269-V287 HydrophobicContact CZ-CG1 4.26Å; F269-V290 HydrophobicContact CD1-CG1 4.36Å; F269-V290 HydrophobicContact CD2-CG1 3.81Å; F269-V290 HydrophobicContact CE1-CG1 4Å; F269-V290 HydrophobicContact CE2-CB 3.81Å; F269-V290 HydrophobicContact CE2-CG1 3.38Å; F269-V290 HydrophobicContact CG-CG1 4.28Å; F269-V290 HydrophobicContact CZ-CB 3.81Å; F269-V290 HydrophobicContact CZ-CG1 3.48Å; F269-V290 VanDerWaalsContact CZ-CG1 3.48Å; F269-R291 HydrophobicContact CE1-CB 3.93Å; F269-R291 HydrophobicContact CE1-CG 4.4Å; F269-R291 HydrophobicContact CZ-CB 3.97Å; F269-L294 HydrophobicContact CD1-CD1 3.54Å; F269-L294 HydrophobicContact CE1-CD1 3.87Å; F269-L294 HydrophobicContact CG-CD1 4.1Å; F269-L330 HydrophobicContact CB-CD1 3.98Å; F269-L330 HydrophobicContact CD2-CD1 3.76Å; F269-L330 HydrophobicContact CG-CD1 4.05Å; F269-V331 CarbonylContact C-O 3.48Å; F269-V331 WeakPolarHBondContact CA-O 3.13Å; F269-V331 WeakPolarHBondContact CB-O 3.47Å
270	I	98.9	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139	174.5	-55.6	164.2	0	0	0	107.9	V168 L170 L175 V186 C187 L196 L272 V331 L333	V168-I270 HydrophobicContact CG1-CD1 4.1Å; V168-I270 HydrophobicContact CG2-CG2 4.24Å; L170-I270 HydrophobicContact CD1-CD1 4.39Å; L170-I270 HydrophobicContact CD2-CD1 4.12Å; L175-I270 HydrophobicContact CD1-CD1 3.54Å; L175-I270 HydrophobicContact CD1-CG1 4.37Å; V186-I270 CarbonylContact O-C 3.54Å; V186-I270 WeakPolarHBondContact O-CA 3.43Å; C187-I270 HydrophobicContact CB-CG1 4.26Å; L196-I270 HydrophobicContact CD1-CG2 3.74Å; I270-L272 HydrophobicContact CG2-CD1 4.02Å; I270-V331 HydrophobicContact CB-CB 4.29Å; I270-V331 PolarHBondContact N-O 2.76Å; I270-V331 PolarHBondContact O-N 3.41Å; I270-L333 HydrophobicContact CD1-CD1 4.45Å; I270-L333 HydrophobicContact CD1-CD2 4.23Å; I270-L333 HydrophobicContact CG1-CD1 4.37Å
271	V	98.9	Very high	97.4	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	127.7	175.9	-170.4	0	0	0	0	108.5	A185 V186 F269 C273 V286 V290 V328 V329 L330	A185-V271 CarbonylContact C-O 3.52Å; A185-V271 VanDerWaalsContact CA-O 3.28Å; A185-V271 WeakPolarHBondContact CA-O 3.31Å; V186-V271 PolarHBondContact N-O 2.86Å; V186-V271 PolarHBondContact O-N 2.79Å; F269-V271 HydrophobicContact CD2-CG2 3.73Å; F269-V271 HydrophobicContact CE2-CG2 3.77Å; V271-C273 WeakPolarHBondContact CG1-SG 3.31Å; V271-V286 HydrophobicContact CB-CG1 4.47Å; V271-V286 HydrophobicContact CG1-CG1 4.07Å; V271-V286 HydrophobicContact CG2-CG1 4.43Å; V271-V290 HydrophobicContact CG2-CG2 4.32Å; V271-V328 HydrophobicContact CG1-CG1 4.22Å; V271-V329 CarbonylContact C-O 3.56Å; V271-V329 WeakPolarHBondContact CA-O 3.42Å; V271-L330 HydrophobicContact CG2-CD1 3.98Å
272	L	98.9	Very high	97.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	127.4	169.1	-54.6	79.6	0	0	0	107.9	F55 V57 I166 V168 R184 A185 I270 V329 V331	F55-L272 HydrophobicContact CB-CD1 4.29Å; F55-L272 HydrophobicContact CB-CD2 4.46Å; V57-L272 HydrophobicContact CG2-CB 4.01Å; I166-L272 HydrophobicContact CG1-CD2 4.35Å; I166-L272 HydrophobicContact CG2-CD2 4.48Å; V168-L272 HydrophobicContact CB-CD1 4.39Å; V168-L272 HydrophobicContact CB-CD2 4.13Å; V168-L272 HydrophobicContact CG2-CD1 4.12Å; V168-L272 HydrophobicContact CG2-CD2 3.79Å; V168-L272 HydrophobicContact CG2-CG 4.04Å; R184-L272 WeakPolarHBondContact O-CA 3.46Å; A185-L272 HydrophobicContact CB-CG 3.96Å; I270-L272 HydrophobicContact CG2-CD1 4.02Å; L272-V329 HydrophobicContact CB-CB 4.25Å; L272-V329 HydrophobicContact CD1-CB 4.37Å; L272-V329 HydrophobicContact CD1-CG1 4.25Å; L272-V329 PolarHBondContact N-O 2.7Å; L272-V329 PolarHBondContact O-N 3.42Å; L272-V331 HydrophobicContact CD1-CG2 4.26Å
273	C	98.8	Very high	97.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	160	174.6	-47.4	0	0	0	0	112.1	S183 R184 V271 I277 W278 T327	S183-C273 WeakPolarHBondContact CA-O 3.38Å; S183-C273 WeakPolarHBondContact CB-O 3.44Å; R184-C273 PolarHBondContact N-O 3.38Å; R184-C273 PolarHBondContact O-N 3.17Å; V271-C273 WeakPolarHBondContact CG1-SG 3.31Å; C273-I277 HydrophobicContact CB-CB 3.75Å; C273-I277 HydrophobicContact CB-CG1 3.79Å; C273-I277 HydrophobicContact CB-CG2 4.21Å; C273-W278 HydrophobicContact CB-CZ2 4.19Å; C273-W278 VanDerWaalsContact O-CD1 3.3Å; C273-W278 PolarHBondContact O-NE1 3.2Å; C273-T327 WeakPolarHBondContact CA-O 3.33Å; C273-T327 VanDerWaalsContact CB-O 3.31Å; C273-T327 WeakPolarHBondContact CB-O 3.46Å
274	C	98.6	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.			trans	-75.2	176.4	164.2	63.1	0	0	0	0	112	D38 V57 D59 G276 I277 N325 T327	D38-C274 PolarHBondContact OD2-SG 3.34Å; V57-C274 HydrophobicContact CG1-CB 4.2Å; D59-C274 HydrophobicContact CB-CB 3.87Å; D59-C274 WeakPolarHBondContact OD2-CB 3.06Å; C274-G276 PolarHBondContact O-N 3.38Å; C274-I277 PolarHBondContact O-N 3.46Å; C274-N325 PolarHBondContact SG-O 3.03Å; C274-T327 PolarHBondContact N-O 3.2Å; C274-T327 PolarHBondContact SG-N 2.72Å
275	D	96.9	Very high	97.2	Very high	25 Å²	25	26 Å²	26	13%	0.134	14%	0.136	C	C	.	.	H	α-helix	trans	-66.7	-24.6	-175.5	74.4	-5.3	0	0	0	113	I277 W278 D279	D275-I277 CarbonylContact O-C 3.48Å; D275-I277 PolarHBondContact O-N 3.35Å; D275-W278 PolarHBondContact O-N 3.37Å; D275-D279 VanDerWaalsContact O-CB 3.3Å; D275-D279 WeakPolarHBondContact O-CB 3.37Å; D275-D279 PolarHBondContact O-N 3.45Å
276	G	97.2	Very high	97.4	Very high	2 Å²	2	21.9 Å²	21.9	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-56.1	-19.1	175.2	0	0	0	0	0	114.7	C274	C274-G276 PolarHBondContact O-N 3.38Å
277	I	98.4	Very high	97.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-97.1	-49.6	169.7	-55.7	-59.8	0	0	0	111.2	C273 C274 D275 D279 V280 M281 V286 L307 M308 C311 M326 V328	C273-I277 HydrophobicContact CB-CB 3.75Å; C273-I277 HydrophobicContact CB-CG1 3.79Å; C273-I277 HydrophobicContact CB-CG2 4.21Å; C274-I277 PolarHBondContact O-N 3.46Å; D275-I277 CarbonylContact O-C 3.48Å; D275-I277 PolarHBondContact O-N 3.35Å; I277-D279 VanDerWaalsContact C-N 3.3Å; I277-D279 PolarHBondContact O-N 3Å; I277-V280 PolarHBondContact O-N 2.63Å; I277-V280 VanDerWaalsContact O-N 3.07Å; I277-M281 PolarHBondContact O-N 2.58Å; I277-V286 HydrophobicContact CG2-CG2 4.01Å; I277-L307 HydrophobicContact CG2-CD2 4.23Å; I277-L307 HydrophobicContact CG2-CG 4.33Å; I277-M308 HydrophobicContact CD1-CG 4.15Å; I277-C311 HydrophobicContact CD1-CB 3.95Å; I277-M326 HydrophobicContact CD1-CB 4.08Å; I277-M326 HydrophobicContact CD1-CG 4.11Å; I277-M326 HydrophobicContact CD1-SD 4.11Å; I277-V328 HydrophobicContact CD1-CG2 3.94Å; I277-V328 HydrophobicContact CG1-CG2 3.85Å
278	W	97.9	Very high	97.3	Very high	12 Å²	12	19.4 Å²	19.4	5%	0.045	10%	0.104	C	C	.	.	H	α-helix	trans	-72.5	-19.4	-170.9	-61.7	121.3	0	0	0	114.7	R184 V186 C273 D275 V280 V286	R184-W278 HydrophobicContact CB-CD2 4.25Å; R184-W278 HydrophobicContact CB-CG 4.13Å; R184-W278 HydrophobicContact CB-CZ2 4.49Å; R184-W278 PolarHBondContact O-NE1 3.04Å; R184-W278 VanDerWaalsContact O-NE1 3.11Å; V186-W278 HydrophobicContact CB-CH2 4.01Å; V186-W278 HydrophobicContact CG2-CH2 3.53Å; V186-W278 HydrophobicContact CG2-CZ2 3.99Å; V186-W278 HydrophobicContact CG2-CZ3 4.07Å; C273-W278 HydrophobicContact CB-CZ2 4.19Å; C273-W278 VanDerWaalsContact O-CD1 3.3Å; C273-W278 PolarHBondContact O-NE1 3.2Å; D275-W278 PolarHBondContact O-N 3.37Å; W278-V280 VanDerWaalsContact C-N 3.31Å; W278-V286 HydrophobicContact CE3-CG2 3.95Å; W278-V286 HydrophobicContact CH2-CB 3.99Å; W278-V286 HydrophobicContact CH2-CG1 3.85Å; W278-V286 HydrophobicContact CH2-CG2 4.09Å; W278-V286 HydrophobicContact CZ3-CB 3.65Å; W278-V286 HydrophobicContact CZ3-CG1 4.03Å; W278-V286 HydrophobicContact CZ3-CG2 3.42Å; W278-V286 VanDerWaalsContact CZ3-CG2 3.42Å
279	D	95.3	Very high	97.2	Very high	84 Å²	84	19.6 Å²	19.6	45%	0.449	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-21.6	171.5	-83.1	3.4	0	0	0	112.1	D275 I277 L321	D275-D279 VanDerWaalsContact O-CB 3.3Å; D275-D279 WeakPolarHBondContact O-CB 3.37Å; D275-D279 PolarHBondContact O-N 3.45Å; I277-D279 VanDerWaalsContact C-N 3.3Å; I277-D279 PolarHBondContact O-N 3Å; D279-L321 HydrophobicContact CB-CD2 4.14Å; D279-L321 WeakPolarHBondContact O-CD2 3.39Å
280	V	95.4	Very high	97.2	Very high	45 Å²	45	19.7 Å²	19.7	27%	0.273	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-33	-177.9	-172.9	0	0	0	0	112.3	I277 W278 C311	I277-V280 PolarHBondContact O-N 2.63Å; I277-V280 VanDerWaalsContact O-N 3.07Å; W278-V280 VanDerWaalsContact C-N 3.31Å; V280-C311 HydrophobicContact CB-CB 4.01Å; V280-C311 HydrophobicContact CG1-CB 4.14Å; V280-C311 HydrophobicContact CG2-CB 4.15Å
281	M	96.4	Very high	97.1	Very high	7 Å²	7	20 Å²	20	3%	0.034	11%	0.107	C	C	.	.	S	Bend	trans	-130.8	136	-177	-65.4	-177.2	68.8	0	0	111.4	I277 E285 V286 F289 L307 R310 C311	I277-M281 PolarHBondContact O-N 2.58Å; M281-E285 HydrophobicContact CB-CB 4.18Å; M281-E285 HydrophobicContact CE-CB 3.73Å; M281-E285 WeakPolarHBondContact CE-O 3.3Å; M281-V286 HydrophobicContact CB-CG2 3.65Å; M281-V286 HydrophobicContact CE-CG2 4.48Å; M281-F289 HydrophobicContact CE-CB 4.04Å; M281-F289 HydrophobicContact CE-CD2 4.32Å; M281-F289 HydrophobicContact CE-CG 4.39Å; M281-L307 HydrophobicContact CE-CD1 4.26Å; M281-L307 HydrophobicContact SD-CD1 3.7Å; M281-R310 HydrophobicContact SD-CG 4.04Å; M281-C311 VanDerWaalsContact SD-SG 3.61Å
282	T	96.4	Very high	97	Very high	75 Å²	75	22.3 Å²	22.3	46%	0.46	12%	0.119	S	C	.	.			trans	-67.7	164.9	171.9	65	0	0	0	0	111.8	Q284 E285 V286	T282-Q284 VanDerWaalsContact C-N 3.29Å; T282-Q284 PolarHBondContact O-N 2.89Å; T282-E285 WeakPolarHBondContact CB-OE2 3.17Å; T282-E285 VanDerWaalsContact CG2-OE2 3.31Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.47Å; T282-E285 PolarHBondContact N-OE2 3.49Å; T282-E285 PolarHBondContact O-N 3.24Å; T282-E285 WeakPolarHBondContact OG1-CB 3.3Å; T282-E285 WeakPolarHBondContact OG1-CG 3.13Å; T282-E285 PolarHBondContact OG1-N 3Å; T282-E285 PolarHBondContact OG1-OE2 2.97Å; T282-V286 PolarHBondContact O-N 3.18Å
283	N	97	Very high	96.9	Very high	37 Å²	37	24.7 Å²	24.7	20%	0.198	13%	0.128	C	C	.	.	H	α-helix	trans	-52.6	-46.9	176.7	-63.3	-27.9	0	0	0	112.5	R184 V186 A193 P195 E285 V287	R184-N283 WeakPolarHBondContact CD-OD1 3.21Å; R184-N283 PolarHBondContact NH1-OD1 2.88Å; V186-N283 HydrophobicContact CG1-CB 4.39Å; V186-N283 HydrophobicContact CG2-CB 4.19Å; V186-N283 WeakPolarHBondContact CG2-OD1 3.27Å; A193-N283 HydrophobicContact CB-CB 3.88Å; A193-N283 WeakPolarHBondContact CB-O 3.35Å; P195-N283 WeakPolarHBondContact CG-ND2 3.33Å; N283-E285 VanDerWaalsContact C-N 3.35Å; N283-V287 WeakPolarHBondContact O-CG2 3.36Å; N283-V287 PolarHBondContact O-N 2.87Å; N283-V287 VanDerWaalsContact O-N 3.15Å
284	Q	96	Very high	96.8	Very high	50 Å²	50	24.7 Å²	24.7	23%	0.234	13%	0.128	C	C	.	.	H	α-helix	trans	-68.3	-38	179.8	-171.9	56.8	54.4	0	0	110.8	G191 A193 T282 V286 V287 S288 A356	G191-Q284 PolarHBondContact O-NE2 2.9Å; A193-Q284 HydrophobicContact CB-CB 4.38Å; T282-Q284 VanDerWaalsContact C-N 3.29Å; T282-Q284 PolarHBondContact O-N 2.89Å; Q284-V286 PolarHBondContact O-N 3.31Å; Q284-V287 PolarHBondContact O-N 3.48Å; Q284-S288 PolarHBondContact NE2-OG 3.21Å; Q284-S288 VanDerWaalsContact NE2-OG 3.12Å; Q284-S288 WeakPolarHBondContact O-CB 3.4Å; Q284-S288 PolarHBondContact O-N 3.28Å; Q284-S288 PolarHBondContact O-OG 3.19Å; Q284-A356 HydrophobicContact CG-CB 4.26Å; Q284-A356 PolarHBondContact NE2-O 3.33Å
285	E	95.7	Very high	96.7	Very high	65 Å²	65	25.6 Å²	25.6	30%	0.304	13%	0.134	S	C	.	.	H	α-helix	trans	-64.2	-42.7	-179.8	-70	167.6	130.2	0	0	112.8	M281 T282 N283 S288 F289 L359	M281-E285 HydrophobicContact CB-CB 4.18Å; M281-E285 HydrophobicContact CE-CB 3.73Å; M281-E285 WeakPolarHBondContact CE-O 3.3Å; T282-E285 WeakPolarHBondContact CB-OE2 3.17Å; T282-E285 VanDerWaalsContact CG2-OE2 3.31Å; T282-E285 WeakPolarHBondContact CG2-OE2 3.47Å; T282-E285 PolarHBondContact N-OE2 3.49Å; T282-E285 PolarHBondContact O-N 3.24Å; T282-E285 WeakPolarHBondContact OG1-CB 3.3Å; T282-E285 WeakPolarHBondContact OG1-CG 3.13Å; T282-E285 PolarHBondContact OG1-N 3Å; T282-E285 PolarHBondContact OG1-OE2 2.97Å; N283-E285 VanDerWaalsContact C-N 3.35Å; E285-S288 PolarHBondContact O-N 2.87Å; E285-F289 VanDerWaalsContact O-CB 3.27Å; E285-F289 WeakPolarHBondContact O-CB 3.27Å; E285-F289 PolarHBondContact O-N 3.41Å; E285-L359 HydrophobicContact CB-CD1 3.36Å; E285-L359 HydrophobicContact CG-CD1 3.41Å; E285-L359 VanDerWaalsContact CG-CD1 3.41Å; E285-L359 HydrophobicContact CG-CD2 4.39Å; E285-L359 WeakPolarHBondContact O-CD1 3.36Å
286	V	97.5	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-46.8	175	173.6	0	0	0	0	111.2	V271 I277 W278 M281 T282 Q284 S288 F289 V290 L307	V271-V286 HydrophobicContact CB-CG1 4.47Å; V271-V286 HydrophobicContact CG1-CG1 4.07Å; V271-V286 HydrophobicContact CG2-CG1 4.43Å; I277-V286 HydrophobicContact CG2-CG2 4.01Å; W278-V286 HydrophobicContact CE3-CG2 3.95Å; W278-V286 HydrophobicContact CH2-CB 3.99Å; W278-V286 HydrophobicContact CH2-CG1 3.85Å; W278-V286 HydrophobicContact CH2-CG2 4.09Å; W278-V286 HydrophobicContact CZ3-CB 3.65Å; W278-V286 HydrophobicContact CZ3-CG1 4.03Å; W278-V286 HydrophobicContact CZ3-CG2 3.42Å; W278-V286 VanDerWaalsContact CZ3-CG2 3.42Å; M281-V286 HydrophobicContact CB-CG2 3.65Å; M281-V286 HydrophobicContact CE-CG2 4.48Å; T282-V286 PolarHBondContact O-N 3.18Å; Q284-V286 PolarHBondContact O-N 3.31Å; V286-S288 PolarHBondContact O-N 2.83Å; V286-F289 PolarHBondContact O-N 3.26Å; V286-V290 HydrophobicContact CG1-CG2 4.35Å; V286-V290 WeakPolarHBondContact O-CB 3.39Å; V286-V290 VanDerWaalsContact O-CG2 3.3Å; V286-V290 WeakPolarHBondContact O-CG2 3.29Å; V286-V290 PolarHBondContact O-N 3.36Å; V286-L307 HydrophobicContact CG1-CD2 3.91Å; V286-L307 HydrophobicContact CG2-CD1 4.44Å
287	V	97.3	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.5	-46.1	178.6	164.1	0	0	0	0	111.4	V186 S188 A193 F269 N283 Q284 F289 V290 R291	V186-V287 HydrophobicContact CG1-CG2 3.78Å; S188-V287 WeakPolarHBondContact OG-CG1 3.32Å; A193-V287 HydrophobicContact CB-CB 4.05Å; A193-V287 HydrophobicContact CB-CG2 3.67Å; F269-V287 HydrophobicContact CE2-CG2 4.46Å; F269-V287 HydrophobicContact CZ-CG1 4.26Å; N283-V287 WeakPolarHBondContact O-CG2 3.36Å; N283-V287 PolarHBondContact O-N 2.87Å; N283-V287 VanDerWaalsContact O-N 3.15Å; Q284-V287 PolarHBondContact O-N 3.48Å; V287-F289 PolarHBondContact O-N 3.23Å; V287-V290 PolarHBondContact O-N 2.8Å; V287-R291 WeakPolarHBondContact O-CB 3.44Å; V287-R291 PolarHBondContact O-N 3.35Å
288	S	95.5	Very high	96.6	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-44.7	179.5	-42.5	0	0	0	0	111	Q284 E285 V286 R291 L292 A356	Q284-S288 PolarHBondContact NE2-OG 3.21Å; Q284-S288 VanDerWaalsContact NE2-OG 3.12Å; Q284-S288 WeakPolarHBondContact O-CB 3.4Å; Q284-S288 PolarHBondContact O-N 3.28Å; Q284-S288 PolarHBondContact O-OG 3.19Å; E285-S288 PolarHBondContact O-N 2.87Å; V286-S288 PolarHBondContact O-N 2.83Å; S288-R291 PolarHBondContact O-N 2.9Å; S288-L292 WeakPolarHBondContact O-CB 3.5Å; S288-L292 PolarHBondContact O-N 3.48Å; S288-A356 WeakPolarHBondContact CB-O 3.32Å; S288-A356 PolarHBondContact OG-O 2.9Å
289	F	96.6	Very high	96.7	Very high	7 Å²	7	41.8 Å²	41.8	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-47.7	178.8	-178.8	-80.8	0	0	0	112.5	M281 E285 V286 V287 R293 E306 L307 R310	M281-F289 HydrophobicContact CE-CB 4.04Å; M281-F289 HydrophobicContact CE-CD2 4.32Å; M281-F289 HydrophobicContact CE-CG 4.39Å; E285-F289 VanDerWaalsContact O-CB 3.27Å; E285-F289 WeakPolarHBondContact O-CB 3.27Å; E285-F289 PolarHBondContact O-N 3.41Å; V286-F289 PolarHBondContact O-N 3.26Å; V287-F289 PolarHBondContact O-N 3.23Å; F289-R293 VanDerWaalsContact CE1-CZ 3.48Å; F289-R293 VanDerWaalsContact CZ-NH1 3.31Å; F289-R293 VanDerWaalsContact CZ-NH2 3.33Å; F289-R293 PolarHBondContact O-NH1 2.9Å; F289-E306 HydrophobicContact CE1-CB 4.25Å; F289-E306 HydrophobicContact CZ-CB 3.94Å; F289-L307 HydrophobicContact CD1-CB 4.14Å; F289-L307 HydrophobicContact CD1-CD1 3.77Å; F289-L307 HydrophobicContact CD1-CG 4.5Å; F289-L307 VanDerWaalsContact CE1-CA 3.5Å; F289-L307 HydrophobicContact CE1-CB 3.7Å; F289-L307 HydrophobicContact CE1-CD1 4.03Å; F289-L307 HydrophobicContact CE1-CG 4.47Å; F289-L307 HydrophobicContact CG-CD1 4.12Å; F289-L307 HydrophobicContact CZ-CB 4.39Å; F289-R310 HydrophobicContact CD2-CG 4.24Å; F289-R310 HydrophobicContact CE2-CB 3.77Å; F289-R310 HydrophobicContact CE2-CG 3.74Å; F289-R310 HydrophobicContact CZ-CB 4.06Å
290	V	98	Very high	96.8	Very high	2 Å²	2	38 Å²	38	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-49.1	179.7	170.3	0	0	0	0	110.1	F269 V271 V286 V287 L292 R293 L294 V303 L307 L330	F269-V290 HydrophobicContact CD1-CG1 4.36Å; F269-V290 HydrophobicContact CD2-CG1 3.81Å; F269-V290 HydrophobicContact CE1-CG1 4Å; F269-V290 HydrophobicContact CE2-CB 3.81Å; F269-V290 HydrophobicContact CE2-CG1 3.38Å; F269-V290 HydrophobicContact CG-CG1 4.28Å; F269-V290 HydrophobicContact CZ-CB 3.81Å; F269-V290 HydrophobicContact CZ-CG1 3.48Å; F269-V290 VanDerWaalsContact CZ-CG1 3.48Å; V271-V290 HydrophobicContact CG2-CG2 4.32Å; V286-V290 HydrophobicContact CG1-CG2 4.35Å; V286-V290 WeakPolarHBondContact O-CB 3.39Å; V286-V290 VanDerWaalsContact O-CG2 3.3Å; V286-V290 WeakPolarHBondContact O-CG2 3.29Å; V286-V290 PolarHBondContact O-N 3.36Å; V287-V290 PolarHBondContact O-N 2.8Å; V290-L292 PolarHBondContact O-N 3.38Å; V290-R293 PolarHBondContact O-N 3.09Å; V290-L294 HydrophobicContact CG1-CD1 3.71Å; V290-L294 HydrophobicContact CG1-CG 4.18Å; V290-L294 WeakPolarHBondContact O-CG 3.49Å; V290-L294 PolarHBondContact O-N 3.48Å; V290-V303 HydrophobicContact CB-CG1 4.11Å; V290-V303 HydrophobicContact CG1-CG1 4.05Å; V290-V303 HydrophobicContact CG2-CG1 3.86Å; V290-L307 HydrophobicContact CG2-CD2 4.4Å; V290-L330 HydrophobicContact CG1-CD1 3.75Å; V290-L330 HydrophobicContact CG1-CD2 3.95Å
291	R	96.9	Very high	97	Very high	6 Å²	6	37 Å²	37	2%	0.023	19%	0.19	C	C	.	.	H	α-helix	trans	-59.3	-45.8	-176.9	-174.9	176.5	-166.6	-95.4	-12.9	112.3	E268 F269 V287 S288 R293 L294 S295 K345 C346 R348 D357	E268-R291 IonicContact OE1-CZ 3.76Å; E268-R291 IonicContact OE1-NE 3.69Å; E268-R291 PolarHBondContact OE1-NE 2.8Å; E268-R291 IonicContact OE1-NH2 3.95Å; E268-R291 PolarHBondContact OE1-NH2 3.34Å; E268-R291 IonicContact OE2-NE 3.29Å; E268-R291 PolarHBondContact OE2-NE 3.02Å; F269-R291 HydrophobicContact CE1-CB 3.93Å; F269-R291 HydrophobicContact CE1-CG 4.4Å; F269-R291 HydrophobicContact CZ-CB 3.97Å; V287-R291 WeakPolarHBondContact O-CB 3.44Å; V287-R291 PolarHBondContact O-N 3.35Å; S288-R291 PolarHBondContact O-N 2.9Å; R291-R293 VanDerWaalsContact C-N 3.33Å; R291-R293 PolarHBondContact O-N 3.33Å; R291-L294 PolarHBondContact O-N 2.88Å; R291-S295 WeakPolarHBondContact O-CB 3.35Å; R291-S295 PolarHBondContact O-N 3.14Å; R291-K345 PolarHBondContact NH2-O 3.48Å; R291-C346 HydrophobicContact CG-CB 3.84Å; R291-C346 PolarHBondContact NH1-O 3.04Å; R291-C346 PolarHBondContact NH2-O 2.84Å; R291-C346 VanDerWaalsContact NH2-O 3.16Å; R291-R348 PolarHBondContact NH1-O 3.49Å; R291-R348 PolarHBondContact NH2-O 3.01Å; R291-D357 IonicContact CZ-OD1 2.7Å; R291-D357 IonicContact NH1-OD1 3.29Å; R291-D357 PolarHBondContact NH1-OD1 3.25Å; R291-D357 IonicContact NH1-OD2 2.73Å
292	L	95.5	Very high	97.1	Very high	50 Å²	50	40.9 Å²	40.9	26%	0.262	21%	0.206	S	C	.	.	H	α-helix	trans	-57.7	-47.1	178.3	-178.1	62.5	0	0	0	111.1	S288 V290 S295 Y296	S288-L292 WeakPolarHBondContact O-CB 3.5Å; S288-L292 PolarHBondContact O-N 3.48Å; V290-L292 PolarHBondContact O-N 3.38Å; L292-S295 WeakPolarHBondContact O-CB 3.39Å; L292-S295 PolarHBondContact O-N 3.27Å; L292-S295 PolarHBondContact O-OG 3.04Å; L292-Y296 HydrophobicContact CD1-CD2 4.28Å; L292-Y296 HydrophobicContact CD1-CE2 3.59Å; L292-Y296 HydrophobicContact CG-CD2 4.29Å; L292-Y296 HydrophobicContact CG-CE2 3.91Å; L292-Y296 WeakPolarHBondContact O-CD2 3.29Å; L292-Y296 PolarHBondContact O-N 3.07Å
293	R	97.6	Very high	97.2	Very high	49 Å²	49	37.3 Å²	37.3	19%	0.185	18%	0.184	C	C	.	.	H	α-helix	trans	-67.8	-41.3	-179.9	-72.1	168.7	167.1	68.2	5.7	113.1	F289 V290 R291 S295 Y296 G297 M298 V303 E306	F289-R293 VanDerWaalsContact CE1-CZ 3.48Å; F289-R293 VanDerWaalsContact CZ-NH1 3.31Å; F289-R293 VanDerWaalsContact CZ-NH2 3.33Å; F289-R293 PolarHBondContact O-NH1 2.9Å; V290-R293 PolarHBondContact O-N 3.09Å; R291-R293 VanDerWaalsContact C-N 3.33Å; R291-R293 PolarHBondContact O-N 3.33Å; R293-S295 VanDerWaalsContact C-N 3.25Å; R293-S295 PolarHBondContact O-N 3.39Å; R293-Y296 PolarHBondContact O-N 3.21Å; R293-Y296 VanDerWaalsContact O-N 3.14Å; R293-G297 PolarHBondContact O-N 3.11Å; R293-M298 HydrophobicContact CB-CB 4.06Å; R293-M298 HydrophobicContact CB-CE 4.37Å; R293-M298 HydrophobicContact CB-SD 3.85Å; R293-M298 HydrophobicContact CG-CE 4.03Å; R293-M298 HydrophobicContact CG-SD 3.89Å; R293-M298 VanDerWaalsContact O-CB 3.25Å; R293-M298 WeakPolarHBondContact O-CB 3.37Å; R293-M298 PolarHBondContact O-N 3.22Å; R293-V303 HydrophobicContact CB-CG1 4.43Å; R293-V303 HydrophobicContact CB-CG2 3.72Å; R293-E306 IonicContact CZ-OE2 3.29Å; R293-E306 VanDerWaalsContact CZ-OE2 3.29Å; R293-E306 IonicContact NE-OE2 3.72Å; R293-E306 PolarHBondContact NE-OE2 3.02Å; R293-E306 IonicContact NH2-OE2 3.45Å; R293-E306 PolarHBondContact NH2-OE2 3.32Å
294	L	97.7	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-35.5	173.5	-69.2	177.6	0	0	0	111.6	F269 V290 R291 Y296 G297 P300 V303 F339 Q343 C346	F269-L294 HydrophobicContact CD1-CD1 3.54Å; F269-L294 HydrophobicContact CE1-CD1 3.87Å; F269-L294 HydrophobicContact CG-CD1 4.1Å; V290-L294 HydrophobicContact CG1-CD1 3.71Å; V290-L294 HydrophobicContact CG1-CG 4.18Å; V290-L294 WeakPolarHBondContact O-CG 3.49Å; V290-L294 PolarHBondContact O-N 3.48Å; R291-L294 PolarHBondContact O-N 2.88Å; L294-Y296 VanDerWaalsContact C-N 3.26Å; L294-Y296 PolarHBondContact O-N 3.07Å; L294-G297 PolarHBondContact O-N 3.05Å; L294-P300 HydrophobicContact CD2-CG 4.4Å; L294-V303 HydrophobicContact CD2-CG2 4.29Å; L294-F339 HydrophobicContact CD2-CE2 4.39Å; L294-F339 HydrophobicContact CD2-CZ 3.8Å; L294-Q343 WeakPolarHBondContact O-CG 3.48Å; L294-C346 HydrophobicContact CB-CB 4.34Å
295	S	96.2	Very high	97.4	Very high	20 Å²	20	35.7 Å²	35.7	14%	0.14	18%	0.176	C	C	.	.	H	α-helix	trans	-63.9	-30.5	175.7	88.2	0	0	0	0	112.8	R291 L292 R293 G297 Q343	R291-S295 WeakPolarHBondContact O-CB 3.35Å; R291-S295 PolarHBondContact O-N 3.14Å; L292-S295 WeakPolarHBondContact O-CB 3.39Å; L292-S295 PolarHBondContact O-N 3.27Å; L292-S295 PolarHBondContact O-OG 3.04Å; R293-S295 VanDerWaalsContact C-N 3.25Å; R293-S295 PolarHBondContact O-N 3.39Å; S295-G297 VanDerWaalsContact C-N 3.26Å; S295-G297 PolarHBondContact O-N 2.92Å; S295-Q343 VanDerWaalsContact O-CG 3.24Å; S295-Q343 WeakPolarHBondContact O-CG 3.42Å; S295-Q343 PolarHBondContact O-NE2 2.8Å
296	Y	96.2	Very high	97.5	Very high	181 Å²	181	35.1 Å²	35.1	71%	0.71	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	2.5	171.8	-71.2	-64.4	0	0	0	113.7	L292 R293 L294 M298	L292-Y296 HydrophobicContact CD1-CD2 4.28Å; L292-Y296 HydrophobicContact CD1-CE2 3.59Å; L292-Y296 HydrophobicContact CG-CD2 4.29Å; L292-Y296 HydrophobicContact CG-CE2 3.91Å; L292-Y296 WeakPolarHBondContact O-CD2 3.29Å; L292-Y296 PolarHBondContact O-N 3.07Å; R293-Y296 PolarHBondContact O-N 3.21Å; R293-Y296 VanDerWaalsContact O-N 3.14Å; L294-Y296 VanDerWaalsContact C-N 3.26Å; L294-Y296 PolarHBondContact O-N 3.07Å; Y296-M298 VanDerWaalsContact C-N 3.32Å
297	G	96.3	Very high	97.6	Very high	31 Å²	31	35.1 Å²	35.1	32%	0.32	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.2	18.2	179.8	0	0	0	0	0	113.9	R293 L294 S295	R293-G297 PolarHBondContact O-N 3.11Å; L294-G297 PolarHBondContact O-N 3.05Å; S295-G297 VanDerWaalsContact C-N 3.26Å; S295-G297 PolarHBondContact O-N 2.92Å
298	M	98.1	Very high	97.6	Very high	50 Å²	50	35.1 Å²	35.1	25%	0.246	17%	0.173	C	C	.	.			trans	-63.6	137.5	173.6	-172.6	179.7	-73.2	0	0	110.3	R293 Y296 K302 V303 E306	R293-M298 HydrophobicContact CB-CB 4.06Å; R293-M298 HydrophobicContact CB-CE 4.37Å; R293-M298 HydrophobicContact CB-SD 3.85Å; R293-M298 HydrophobicContact CG-CE 4.03Å; R293-M298 HydrophobicContact CG-SD 3.89Å; R293-M298 VanDerWaalsContact O-CB 3.25Å; R293-M298 WeakPolarHBondContact O-CB 3.37Å; R293-M298 PolarHBondContact O-N 3.22Å; Y296-M298 VanDerWaalsContact C-N 3.32Å; M298-K302 HydrophobicContact CG-CB 3.86Å; M298-K302 HydrophobicContact CG-CG 4.01Å; M298-K302 HydrophobicContact SD-CB 4.12Å; M298-K302 HydrophobicContact SD-CG 3.84Å; M298-V303 HydrophobicContact CB-CG2 4.03Å; M298-V303 HydrophobicContact CG-CG2 3.82Å; M298-V303 HydrophobicContact SD-CG2 3.74Å; M298-E306 WeakPolarHBondContact CE-OE1 3.43Å
299	L	98.1	Very high	97.7	Very high	116 Å²	116	38.9 Å²	38.9	61%	0.607	19%	0.191	S	C	*	.			trans	-63.4	140.4	177.8	-65.1	176.9	0	0	0	111.1	S301 K302 V303	L299-S301 PolarHBondContact O-N 2.83Å; L299-S301 VanDerWaalsContact O-N 3.13Å; L299-K302 PolarHBondContact O-N 3.04Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 2.9Å; L299-V303 VanDerWaalsContact O-N 3.08Å
300	P	98.6	Very high	97.7	Very high	6 Å²	6	45 Å²	45	4%	0.039	21%	0.214	C	C	.	.	H	α-helix	trans	-52.5	-38.3	179.8	-30.1	37.1	0	0	0	113.9	A25 L294 K302 V303 C304 L330 F339	A25-P300 HydrophobicContact CB-CB 3.76Å; L294-P300 HydrophobicContact CD2-CG 4.4Å; P300-K302 PolarHBondContact O-N 3.47Å; P300-V303 WeakPolarHBondContact O-CB 3.41Å; P300-V303 PolarHBondContact O-N 3.31Å; P300-C304 PolarHBondContact O-N 2.71Å; P300-C304 PolarHBondContact O-SG 2.71Å; P300-L330 HydrophobicContact CB-CD2 3.83Å; P300-L330 HydrophobicContact CB-CG 4.31Å; P300-F339 HydrophobicContact CG-CE2 3.77Å; P300-F339 HydrophobicContact CG-CZ 4.12Å
301	S	98.6	Very high	97.7	Very high	24 Å²	24	45 Å²	45	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-58.4	-45.7	175.8	49.2	0	0	0	0	112.3	A25 L299 V303 C304 E305	A25-S301 VanDerWaalsContact CB-CA 3.44Å; L299-S301 PolarHBondContact O-N 2.83Å; L299-S301 VanDerWaalsContact O-N 3.13Å; S301-V303 VanDerWaalsContact C-N 3.35Å; S301-C304 PolarHBondContact O-N 3.46Å; S301-E305 PolarHBondContact O-N 3.37Å; S301-E305 VanDerWaalsContact O-N 3.13Å
302	K	98.6	Very high	97.6	Very high	88 Å²	88	46.1 Å²	46.1	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-68.7	-36.2	179	-171.4	59.1	-178.2	175.8	0	112.2	M298 L299 P300 C304 E305 E306	M298-K302 HydrophobicContact CG-CB 3.86Å; M298-K302 HydrophobicContact CG-CG 4.01Å; M298-K302 HydrophobicContact SD-CB 4.12Å; M298-K302 HydrophobicContact SD-CG 3.84Å; L299-K302 PolarHBondContact O-N 3.04Å; P300-K302 PolarHBondContact O-N 3.47Å; K302-C304 VanDerWaalsContact C-N 3.33Å; K302-C304 PolarHBondContact O-N 2.68Å; K302-E305 WeakPolarHBondContact CD-OE2 3.26Å; K302-E305 IonicContact NZ-OE2 2.86Å; K302-E305 PolarHBondContact NZ-OE2 2.89Å; K302-E305 PolarHBondContact O-N 2.8Å; K302-E306 WeakPolarHBondContact O-CG 3.1Å; K302-E306 PolarHBondContact O-N 2.82Å
303	V	98.6	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.4	-45.2	173.8	-178.9	0	0	0	0	110.9	V290 R293 L294 M298 L299 P300 S301 E306 L307 L330	V290-V303 HydrophobicContact CB-CG1 4.11Å; V290-V303 HydrophobicContact CG1-CG1 4.05Å; V290-V303 HydrophobicContact CG2-CG1 3.86Å; R293-V303 HydrophobicContact CB-CG1 4.43Å; R293-V303 HydrophobicContact CB-CG2 3.72Å; L294-V303 HydrophobicContact CD2-CG2 4.29Å; M298-V303 HydrophobicContact CB-CG2 4.03Å; M298-V303 HydrophobicContact CG-CG2 3.82Å; M298-V303 HydrophobicContact SD-CG2 3.74Å; L299-V303 WeakPolarHBondContact O-CG2 3.41Å; L299-V303 PolarHBondContact O-N 2.9Å; L299-V303 VanDerWaalsContact O-N 3.08Å; P300-V303 WeakPolarHBondContact O-CB 3.41Å; P300-V303 PolarHBondContact O-N 3.31Å; S301-V303 VanDerWaalsContact C-N 3.35Å; V303-E306 PolarHBondContact O-N 2.95Å; V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 PolarHBondContact O-N 3.3Å; V303-L330 HydrophobicContact CB-CD2 4.1Å; V303-L330 HydrophobicContact CG1-CD2 4.11Å
304	C	98.8	Very high	97.1	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	24%	0.237	C	C	.	.	H	α-helix	trans	-61	-46.2	176.7	-64.5	0	0	0	0	112.2	P300 S301 K302 E306 L307 M308 V328 L330	P300-C304 PolarHBondContact O-N 2.71Å; P300-C304 PolarHBondContact O-SG 2.71Å; S301-C304 PolarHBondContact O-N 3.46Å; K302-C304 VanDerWaalsContact C-N 3.33Å; K302-C304 PolarHBondContact O-N 2.68Å; C304-E306 PolarHBondContact O-N 2.72Å; C304-L307 PolarHBondContact O-N 3.41Å; C304-M308 WeakPolarHBondContact O-CG 3.45Å; C304-M308 PolarHBondContact O-N 2.82Å; C304-V328 HydrophobicContact CB-CB 4.14Å; C304-V328 HydrophobicContact CB-CG1 4.04Å; C304-L330 VanDerWaalsContact SG-CB 3.52Å
305	E	98.7	Very high	96.5	Very high	52 Å²	52	50.3 Å²	50.3	24%	0.243	25%	0.254	C	S	.	.	H	α-helix	trans	-59.5	-45.7	177.4	-66.5	-175.3	176.3	0	0	112.4	K12 T14 S301 K302 L307 M308 M309	K12-E305 HydrophobicContact CD-CB 3.76Å; K12-E305 HydrophobicContact CD-CG 3.66Å; T14-E305 HydrophobicContact CG2-CG 4.44Å; T14-E305 PolarHBondContact OG1-OE1 3.46Å; S301-E305 PolarHBondContact O-N 3.37Å; S301-E305 VanDerWaalsContact O-N 3.13Å; K302-E305 WeakPolarHBondContact CD-OE2 3.26Å; K302-E305 IonicContact NZ-OE2 2.86Å; K302-E305 PolarHBondContact NZ-OE2 2.89Å; K302-E305 PolarHBondContact O-N 2.8Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-M308 PolarHBondContact O-N 3.04Å; E305-M309 WeakPolarHBondContact O-CG 3.18Å; E305-M309 PolarHBondContact O-N 2.8Å; E305-M309 VanDerWaalsContact O-N 3.08Å
306	E	98.4	Very high	95.3	Very high	53 Å²	53	51.4 Å²	51.4	25%	0.248	26%	0.261	C	S	.	.	H	α-helix	trans	-68.2	-34.5	-179.6	-73.3	-168.4	-164.9	0	0	112.2	F289 R293 M298 K302 V303 C304 M309 R310	F289-E306 HydrophobicContact CE1-CB 4.25Å; F289-E306 HydrophobicContact CZ-CB 3.94Å; R293-E306 IonicContact CZ-OE2 3.29Å; R293-E306 VanDerWaalsContact CZ-OE2 3.29Å; R293-E306 IonicContact NE-OE2 3.72Å; R293-E306 PolarHBondContact NE-OE2 3.02Å; R293-E306 IonicContact NH2-OE2 3.45Å; R293-E306 PolarHBondContact NH2-OE2 3.32Å; M298-E306 WeakPolarHBondContact CE-OE1 3.43Å; K302-E306 WeakPolarHBondContact O-CG 3.1Å; K302-E306 PolarHBondContact O-N 2.82Å; V303-E306 PolarHBondContact O-N 2.95Å; C304-E306 PolarHBondContact O-N 2.72Å; E306-M309 PolarHBondContact O-N 2.79Å; E306-R310 WeakPolarHBondContact O-CB 3.11Å; E306-R310 PolarHBondContact O-N 3.46Å
307	L	98.5	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62.8	-45.2	176.3	-178.9	60.5	0	0	0	111.2	I277 M281 V286 F289 V290 V303 C304 E305 R310 C311 V328	I277-L307 HydrophobicContact CG2-CD2 4.23Å; I277-L307 HydrophobicContact CG2-CG 4.33Å; M281-L307 HydrophobicContact CE-CD1 4.26Å; M281-L307 HydrophobicContact SD-CD1 3.7Å; V286-L307 HydrophobicContact CG1-CD2 3.91Å; V286-L307 HydrophobicContact CG2-CD1 4.44Å; F289-L307 HydrophobicContact CD1-CB 4.14Å; F289-L307 HydrophobicContact CD1-CD1 3.77Å; F289-L307 HydrophobicContact CD1-CG 4.5Å; F289-L307 VanDerWaalsContact CE1-CA 3.5Å; F289-L307 HydrophobicContact CE1-CB 3.7Å; F289-L307 HydrophobicContact CE1-CD1 4.03Å; F289-L307 HydrophobicContact CE1-CG 4.47Å; F289-L307 HydrophobicContact CG-CD1 4.12Å; F289-L307 HydrophobicContact CZ-CB 4.39Å; V290-L307 HydrophobicContact CG2-CD2 4.4Å; V303-L307 WeakPolarHBondContact O-CB 3.39Å; V303-L307 PolarHBondContact O-N 3.3Å; C304-L307 PolarHBondContact O-N 3.41Å; E305-L307 VanDerWaalsContact C-N 3.34Å; L307-R310 WeakPolarHBondContact O-CB 3.23Å; L307-R310 PolarHBondContact O-N 3.38Å; L307-C311 PolarHBondContact O-N 2.79Å; L307-C311 PolarHBondContact O-SG 3.04Å; L307-V328 HydrophobicContact CD2-CG1 3.93Å; L307-V328 HydrophobicContact CD2-CG2 4.02Å; L307-V328 HydrophobicContact CG-CG2 4.42Å
308	M	98.5	Very high	93.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-63.1	-44	175.4	-64.2	-170.9	-59.4	0	0	111.4	K12 S27 M29 I277 C304 E305 R310 C311 L312 M326 V328	K12-M308 HydrophobicContact CB-CE 4.35Å; K12-M308 HydrophobicContact CD-CE 3.77Å; K12-M308 HydrophobicContact CG-CE 3.8Å; S27-M308 VanDerWaalsContact CB-CE 3.49Å; S27-M308 WeakPolarHBondContact OG-CE 3.45Å; M29-M308 HydrophobicContact CB-CE 3.92Å; M29-M308 HydrophobicContact CB-SD 3.82Å; M29-M308 HydrophobicContact CE-CB 4.13Å; I277-M308 HydrophobicContact CD1-CG 4.15Å; C304-M308 WeakPolarHBondContact O-CG 3.45Å; C304-M308 PolarHBondContact O-N 2.82Å; E305-M308 PolarHBondContact O-N 3.04Å; M308-R310 PolarHBondContact O-N 3.45Å; M308-C311 PolarHBondContact O-N 3.3Å; M308-C311 VanDerWaalsContact O-N 3.08Å; M308-L312 PolarHBondContact O-N 3.01Å; M308-M326 HydrophobicContact CB-CB 4.3Å; M308-M326 HydrophobicContact CB-SD 4.2Å; M308-M326 HydrophobicContact CG-CB 3.93Å; M308-M326 HydrophobicContact SD-CB 3.9Å; M308-M326 VanDerWaalsContact SD-O 3.36Å; M308-V328 HydrophobicContact CG-CG2 3.68Å; M308-V328 HydrophobicContact SD-CG2 4.45Å
309	M	97.7	Very high	92.1	Very high	80 Å²	80	56.1 Å²	56.1	39%	0.394	29%	0.288	S	S	.	.	H	α-helix	trans	-63.6	-30.7	177.1	-69.5	-53.6	-52.8	0	0	112.8	K12 M29 E305 E306 C311 L312	K12-M309 VanDerWaalsContact CE-SD 3.55Å; K12-M309 PolarHBondContact NZ-SD 3.47Å; M29-M309 HydrophobicContact CE-SD 4.49Å; M29-M309 HydrophobicContact SD-SD 3.96Å; E305-M309 WeakPolarHBondContact O-CG 3.18Å; E305-M309 PolarHBondContact O-N 2.8Å; E305-M309 VanDerWaalsContact O-N 3.08Å; E306-M309 PolarHBondContact O-N 2.79Å; M309-C311 VanDerWaalsContact C-N 3.32Å; M309-L312 HydrophobicContact CE-CD2 3.87Å; M309-L312 HydrophobicContact SD-CD2 4.41Å
310	R	96.6	Very high	91.2	Very high	137 Å²	137	52 Å²	52	52%	0.517	27%	0.274	S	S	.	.	H	α-helix	trans	-70.9	-27.2	175.1	179.4	58.3	-177.5	74.5	2.2	112.9	M281 F289 E306 L307 M308	M281-R310 HydrophobicContact SD-CG 4.04Å; F289-R310 HydrophobicContact CD2-CG 4.24Å; F289-R310 HydrophobicContact CE2-CB 3.77Å; F289-R310 HydrophobicContact CE2-CG 3.74Å; F289-R310 HydrophobicContact CZ-CB 4.06Å; E306-R310 WeakPolarHBondContact O-CB 3.11Å; E306-R310 PolarHBondContact O-N 3.46Å; L307-R310 WeakPolarHBondContact O-CB 3.23Å; L307-R310 PolarHBondContact O-N 3.38Å; M308-R310 PolarHBondContact O-N 3.45Å
311	C	96.6	Very high	90.7	Very high	2 Å²	2	56 Å²	56	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-90.3	-19.6	179.2	-61.3	0	0	0	0	113.1	I277 V280 M281 L307 M308 M309 A313 G322 M326	I277-C311 HydrophobicContact CD1-CB 3.95Å; V280-C311 HydrophobicContact CB-CB 4.01Å; V280-C311 HydrophobicContact CG1-CB 4.14Å; V280-C311 HydrophobicContact CG2-CB 4.15Å; M281-C311 VanDerWaalsContact SD-SG 3.61Å; L307-C311 PolarHBondContact O-N 2.79Å; L307-C311 PolarHBondContact O-SG 3.04Å; M308-C311 PolarHBondContact O-N 3.3Å; M308-C311 VanDerWaalsContact O-N 3.08Å; M309-C311 VanDerWaalsContact C-N 3.32Å; C311-A313 PolarHBondContact O-N 3.36Å; C311-G322 WeakPolarHBondContact O-CA 3.29Å; C311-M326 HydrophobicContact CB-CE 4.04Å; C311-M326 HydrophobicContact CB-SD 4.01Å
312	L	96.4	Very high	90.4	Very high	29 Å²	29	55.1 Å²	55.1	15%	0.152	29%	0.289	C	S	.	.			trans	-64	127.6	-177.9	-176.2	70.3	0	0	0	112.1	P8 L10 M29 M308 M309 M326	P8-L312 HydrophobicContact CB-CD1 4.24Å; L10-L312 HydrophobicContact CD2-CD2 3.27Å; M29-L312 HydrophobicContact CE-CB 4.23Å; M29-L312 HydrophobicContact CE-CD1 3.91Å; M29-L312 HydrophobicContact CE-CD2 4.31Å; M29-L312 HydrophobicContact CE-CG 4.37Å; M308-L312 PolarHBondContact O-N 3.01Å; M309-L312 HydrophobicContact CE-CD2 3.87Å; M309-L312 HydrophobicContact SD-CD2 4.41Å; L312-M326 HydrophobicContact CD1-CE 4.47Å
313	A	93.2	Very high	90.1	Very high	7 Å²	7	51.2 Å²	51.2	6%	0.058	27%	0.272	C	S	.	.			trans	-69.1	140.1	173.7	0	0	0	0	0	111.4	W32 C311 D315 T318 L321 G322	W32-A313 PolarHBondContact NE1-O 3.03Å; C311-A313 PolarHBondContact O-N 3.36Å; A313-D315 VanDerWaalsContact CB-O 3.25Å; A313-D315 WeakPolarHBondContact CB-O 3.17Å; A313-D315 PolarHBondContact O-N 3.08Å; A313-T318 HydrophobicContact CB-CG2 4.17Å; A313-L321 VanDerWaalsContact CB-O 3.31Å; A313-L321 WeakPolarHBondContact CB-O 3.37Å; A313-G322 PolarHBondContact N-O 2.62Å
314	P	89	Confident	90	Very high	114 Å²	114	52.2 Å²	52.2	74%	0.74	28%	0.278	S	S	*	.	S	Bend	trans	-67.8	-26.9	174.3	29.1	-34.7	0	0	0	112.4
315	D	84.1	Confident	89.9	Confident	65 Å²	65	52.2 Å²	52.2	35%	0.348	28%	0.278	S	S	.	.	S	Bend	trans	-150.8	166.5	176.8	60.4	58.9	0	0	0	110.6	A313 H317 T318	A313-D315 VanDerWaalsContact CB-O 3.25Å; A313-D315 WeakPolarHBondContact CB-O 3.17Å; A313-D315 PolarHBondContact O-N 3.08Å; D315-H317 VanDerWaalsContact C-N 3.26Å; D315-H317 PolarHBondContact O-N 3.41Å; D315-H317 WeakPolarHBondContact OD1-CA 3.34Å; D315-H317 VanDerWaalsContact OD1-CB 3.3Å; D315-H317 WeakPolarHBondContact OD1-CB 3.27Å; D315-H317 IonicContact OD1-CD2 2.94Å; D315-H317 IonicContact OD1-CG 3.77Å; D315-H317 PolarHBondContact OD1-N 3.32Å; D315-T318 PolarHBondContact O-OG1 2.74Å
316	C	72.7	Confident	89.9	Confident	44 Å²	44	49.8 Å²	49.8	30%	0.297	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.4	178.1	-73.1	0	0	0	0	115	T318	C316-T318 PolarHBondContact O-N 2.93Å
317	H	74.2	Confident	89.9	Confident	165 Å²	165	47.2 Å²	47.2	76%	0.764	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-0.6	-178.3	-59.5	-63.5	0	0	0	113	D315 N319	D315-H317 VanDerWaalsContact C-N 3.26Å; D315-H317 PolarHBondContact O-N 3.41Å; D315-H317 WeakPolarHBondContact OD1-CA 3.34Å; D315-H317 VanDerWaalsContact OD1-CB 3.3Å; D315-H317 WeakPolarHBondContact OD1-CB 3.27Å; D315-H317 IonicContact OD1-CD2 2.94Å; D315-H317 IonicContact OD1-CG 3.77Å; D315-H317 PolarHBondContact OD1-N 3.32Å; H317-N319 PolarHBondContact O-N 2.69Å
318	T	71.9	Confident	90	Very high	46 Å²	46	47.3 Å²	47.3	28%	0.282	26%	0.255	S	S	.	.	S	Bend	trans	-76.1	34.6	-177.6	55.6	0	0	0	0	114.7	A313 D315 C316 G320 L321	A313-T318 HydrophobicContact CB-CG2 4.17Å; D315-T318 PolarHBondContact O-OG1 2.74Å; C316-T318 PolarHBondContact O-N 2.93Å; T318-G320 PolarHBondContact O-N 3.24Å; T318-L321 WeakPolarHBondContact O-CB 3.49Å; T318-L321 PolarHBondContact O-N 3.42Å; T318-L321 PolarHBondContact OG1-O 3.09Å
319	N	75.5	Confident	90	Very high	149 Å²	149	47.3 Å²	47.3	80%	0.797	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	23.7	-172.3	-68.9	-27	0	0	0	114	H317	H317-N319 PolarHBondContact O-N 2.69Å
320	G	79.5	Confident	90	Very high	29 Å²	29	43.6 Å²	43.6	30%	0.299	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.1	-7.6	-176.9	0	0	0	0	0	115.5	T318 G322 C323	T318-G320 PolarHBondContact O-N 3.24Å; G320-G322 PolarHBondContact O-N 2.84Å; G320-C323 WeakPolarHBondContact O-CB 3.27Å; G320-C323 PolarHBondContact O-N 3.34Å
321	L	88.1	Confident	90.2	Very high	92 Å²	92	37 Å²	37	48%	0.482	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	129.6	176.3	-66.9	179.5	0	0	0	110.1	D279 A313 T318 C323	D279-L321 HydrophobicContact CB-CD2 4.14Å; D279-L321 WeakPolarHBondContact O-CD2 3.39Å; A313-L321 VanDerWaalsContact CB-O 3.31Å; A313-L321 WeakPolarHBondContact CB-O 3.37Å; T318-L321 WeakPolarHBondContact O-CB 3.49Å; T318-L321 PolarHBondContact O-N 3.42Å; T318-L321 PolarHBondContact OG1-O 3.09Å; L321-C323 VanDerWaalsContact C-N 3.27Å; L321-C323 PolarHBondContact O-N 2.89Å
322	G	92.2	Very high	90.3	Very high	4 Å²	4	37 Å²	37	4%	0.041	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	13.5	-178.9	0	0	0	0	0	114.8	C311 A313 G320 M326	C311-G322 WeakPolarHBondContact O-CA 3.29Å; A313-G322 PolarHBondContact N-O 2.62Å; G320-G322 PolarHBondContact O-N 2.84Å; G322-M326 WeakPolarHBondContact O-CE 3.39Å
323	C	93.8	Very high	90.4	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.041	20%	0.204	C	C	.	.			trans	-101.6	6	178.4	-63.5	0	0	0	0	114.1	W32 G320 L321	W32-C323 HydrophobicContact CB-CB 4Å; W32-C323 WeakPolarHBondContact CB-O 3.49Å; W32-C323 HydrophobicContact CG-CB 4.33Å; G320-C323 WeakPolarHBondContact O-CB 3.27Å; G320-C323 PolarHBondContact O-N 3.34Å; L321-C323 VanDerWaalsContact C-N 3.27Å; L321-C323 PolarHBondContact O-N 2.89Å
324	D	95.5	Very high	90.6	Very high	21 Å²	21	35.5 Å²	35.5	11%	0.112	20%	0.203	C	C	.	.	S	Bend	trans	-89	172.7	-176.5	-131.8	-33.5	0	0	0	114.3	R33	R33-D324 WeakPolarHBondContact CG-OD1 3.3Å; R33-D324 IonicContact CZ-OD1 3.67Å; R33-D324 IonicContact CZ-OD2 3.88Å; R33-D324 IonicContact NE-OD1 2.67Å; R33-D324 PolarHBondContact NE-OD1 3.39Å; R33-D324 IonicContact NE-OD2 3.59Å; R33-D324 VanDerWaalsContact NH2-CG 3.31Å; R33-D324 IonicContact NH2-OD1 3.32Å; R33-D324 PolarHBondContact NH2-OD1 3.04Å; R33-D324 VanDerWaalsContact NH2-OD1 3.17Å; R33-D324 IonicContact NH2-OD2 3.9Å; R33-D324 PolarHBondContact NH2-OD2 2.85Å
325	N	97.8	Very high	90.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.011	17%	0.173	C	C	.	.			trans	-57.7	148.4	155.4	-66.7	162.6	0	0	0	109.1	Q30 R33 H35 M36 E37 D38 C274	Q30-N325 PolarHBondContact O-ND2 3.11Å; R33-N325 WeakPolarHBondContact CB-ND2 3.23Å; H35-N325 PolarHBondContact O-ND2 2.99Å; H35-N325 PolarHBondContact O-OD1 3.03Å; M36-N325 WeakPolarHBondContact CA-OD1 3.41Å; M36-N325 HydrophobicContact SD-CB 3.97Å; E37-N325 PolarHBondContact N-OD1 2.85Å; D38-N325 WeakPolarHBondContact OD1-CB 3.34Å; C274-N325 PolarHBondContact SG-O 3.03Å
326	M	98.5	Very high	91.3	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.1	179.9	-64.5	-179.4	-173.5	0	0	108.9	S28 M29 I277 M308 C311 L312 G322	S28-M326 CarbonylContact C-O 3.55Å; S28-M326 WeakPolarHBondContact CA-O 3.5Å; M29-M326 HydrophobicContact CE-SD 3.8Å; M29-M326 PolarHBondContact N-O 3.03Å; M29-M326 PolarHBondContact O-N 3.25Å; I277-M326 HydrophobicContact CD1-CB 4.08Å; I277-M326 HydrophobicContact CD1-CG 4.11Å; I277-M326 HydrophobicContact CD1-SD 4.11Å; M308-M326 HydrophobicContact CB-CB 4.3Å; M308-M326 HydrophobicContact CB-SD 4.2Å; M308-M326 HydrophobicContact CG-CB 3.93Å; M308-M326 HydrophobicContact SD-CB 3.9Å; M308-M326 VanDerWaalsContact SD-O 3.36Å; C311-M326 HydrophobicContact CB-CE 4.04Å; C311-M326 HydrophobicContact CB-SD 4.01Å; L312-M326 HydrophobicContact CD1-CE 4.47Å; G322-M326 WeakPolarHBondContact O-CE 3.39Å
327	T	98.8	Very high	92.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.8	174.2	-62.8	0	0	0	0	108.9	V26 D38 H40 V57 C273 C274	V26-T327 HydrophobicContact CG2-CG2 4.39Å; D38-T327 VanDerWaalsContact CB-OG1 3.25Å; D38-T327 WeakPolarHBondContact CB-OG1 3.36Å; D38-T327 WeakPolarHBondContact OD2-CB 3.49Å; D38-T327 PolarHBondContact OD2-OG1 3.08Å; H40-T327 HydrophobicContact CB-CG2 4.19Å; V57-T327 HydrophobicContact CG1-CG2 3.98Å; V57-T327 HydrophobicContact CG2-CG2 4.04Å; C273-T327 WeakPolarHBondContact CA-O 3.33Å; C273-T327 VanDerWaalsContact CB-O 3.31Å; C273-T327 WeakPolarHBondContact CB-O 3.46Å; C274-T327 PolarHBondContact N-O 3.2Å; C274-T327 PolarHBondContact SG-N 2.72Å
328	V	98.9	Very high	93.5	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	122.5	179.2	-179.1	0	0	0	0	108.7	V26 S27 V271 I277 C304 L307 M308	V26-V328 CarbonylContact C-O 3.59Å; V26-V328 VanDerWaalsContact CA-O 3.25Å; V26-V328 WeakPolarHBondContact CA-O 3.39Å; V26-V328 WeakPolarHBondContact CG2-O 3.3Å; S27-V328 PolarHBondContact N-O 3.42Å; S27-V328 PolarHBondContact O-N 3.23Å; V271-V328 HydrophobicContact CG1-CG1 4.22Å; I277-V328 HydrophobicContact CD1-CG2 3.94Å; I277-V328 HydrophobicContact CG1-CG2 3.85Å; C304-V328 HydrophobicContact CB-CB 4.14Å; C304-V328 HydrophobicContact CB-CG1 4.04Å; L307-V328 HydrophobicContact CD2-CG1 3.93Å; L307-V328 HydrophobicContact CD2-CG2 4.02Å; L307-V328 HydrophobicContact CG-CG2 4.42Å; M308-V328 HydrophobicContact CG-CG2 3.68Å; M308-V328 HydrophobicContact SD-CG2 4.45Å
329	V	98.9	Very high	94.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.3	166.4	178.7	0	0	0	0	108.4	V24 A25 V26 H40 F55 V57 V271 L272 V331	V24-V329 HydrophobicContact CG1-CG1 4.36Å; A25-V329 WeakPolarHBondContact O-CA 3.33Å; V26-V329 HydrophobicContact CB-CG2 4.08Å; V26-V329 HydrophobicContact CG2-CG2 3.61Å; H40-V329 HydrophobicContact CB-CG2 4.39Å; F55-V329 HydrophobicContact CB-CG1 4.23Å; V57-V329 HydrophobicContact CG2-CB 4.29Å; V57-V329 HydrophobicContact CG2-CG2 3.58Å; V271-V329 CarbonylContact C-O 3.56Å; V271-V329 WeakPolarHBondContact CA-O 3.42Å; L272-V329 HydrophobicContact CB-CB 4.25Å; L272-V329 HydrophobicContact CD1-CB 4.37Å; L272-V329 HydrophobicContact CD1-CG1 4.25Å; L272-V329 PolarHBondContact N-O 2.7Å; L272-V329 PolarHBondContact O-N 3.42Å; V329-V331 HydrophobicContact CG1-CG2 4.04Å
330	L	98.9	Very high	95.7	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.5	175.8	173.8	57.6	0	0	0	109.5	V24 A25 F269 V271 V290 P300 V303 C304	V24-L330 VanDerWaalsContact CA-O 3.29Å; V24-L330 WeakPolarHBondContact CA-O 3.26Å; A25-L330 PolarHBondContact N-O 2.67Å; A25-L330 PolarHBondContact O-N 2.91Å; F269-L330 HydrophobicContact CB-CD1 3.98Å; F269-L330 HydrophobicContact CD2-CD1 3.76Å; F269-L330 HydrophobicContact CG-CD1 4.05Å; V271-L330 HydrophobicContact CG2-CD1 3.98Å; V290-L330 HydrophobicContact CG1-CD1 3.75Å; V290-L330 HydrophobicContact CG1-CD2 3.95Å; P300-L330 HydrophobicContact CB-CD2 3.83Å; P300-L330 HydrophobicContact CB-CG 4.31Å; V303-L330 HydrophobicContact CB-CD2 4.1Å; V303-L330 HydrophobicContact CG1-CD2 4.11Å; C304-L330 VanDerWaalsContact SG-CB 3.52Å
331	V	98.9	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	99.3	178.5	-176.2	0	0	0	0	108.9	Y22 V24 F55 L170 F269 I270 L272 V329 L333	Y22-V331 HydrophobicContact CD1-CG1 4.37Å; V24-V331 HydrophobicContact CG1-CG2 4.24Å; V24-V331 HydrophobicContact CG2-CB 4.45Å; V24-V331 HydrophobicContact CG2-CG1 4.07Å; V24-V331 HydrophobicContact CG2-CG2 4.42Å; F55-V331 HydrophobicContact CB-CG2 4.12Å; F55-V331 HydrophobicContact CD1-CG2 3.88Å; F55-V331 HydrophobicContact CD2-CB 4.5Å; F55-V331 HydrophobicContact CD2-CG1 4.09Å; F55-V331 HydrophobicContact CD2-CG2 3.61Å; F55-V331 HydrophobicContact CE1-CG2 4.24Å; F55-V331 HydrophobicContact CE2-CB 4.48Å; F55-V331 HydrophobicContact CE2-CG1 3.65Å; F55-V331 HydrophobicContact CE2-CG2 3.96Å; F55-V331 HydrophobicContact CG-CG2 3.55Å; F55-V331 HydrophobicContact CZ-CG1 3.96Å; F55-V331 HydrophobicContact CZ-CG2 4.26Å; L170-V331 HydrophobicContact CD1-CG1 4.35Å; F269-V331 CarbonylContact C-O 3.48Å; F269-V331 WeakPolarHBondContact CA-O 3.13Å; F269-V331 WeakPolarHBondContact CB-O 3.47Å; I270-V331 HydrophobicContact CB-CB 4.29Å; I270-V331 PolarHBondContact N-O 2.76Å; I270-V331 PolarHBondContact O-N 3.41Å; L272-V331 HydrophobicContact CD1-CG2 4.26Å; V329-V331 HydrophobicContact CG1-CG2 4.04Å; V331-L333 HydrophobicContact CG1-CD2 4.43Å
332	C	98.8	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125	174	-67.2	0	0	0	0	110.6	Y22 S23 L334 F339 L342	Y22-C332 WeakPolarHBondContact CA-O 3.42Å; S23-C332 PolarHBondContact N-O 2.91Å; S23-C332 VanDerWaalsContact N-O 3.11Å; S23-C332 WeakPolarHBondContact O-CA 3.37Å; S23-C332 WeakPolarHBondContact O-CB 3.46Å; S23-C332 PolarHBondContact O-N 3.28Å; C332-L334 PolarHBondContact O-N 3.31Å; C332-F339 HydrophobicContact CB-CE2 4.48Å; C332-L342 HydrophobicContact CB-CD2 3.35Å
333	L	98.5	Very high	97.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	96.7	-176.8	-59.5	172.9	0	0	0	110.4	Y22 L170 L262 D267 E268 I270 V331 Q335	Y22-L333 HydrophobicContact CD1-CD2 4.17Å; Y22-L333 HydrophobicContact CE1-CD2 4.11Å; L170-L333 HydrophobicContact CD1-CD2 3.93Å; L262-L333 HydrophobicContact CD1-CD2 4.35Å; L262-L333 HydrophobicContact CD2-CD1 4.02Å; D267-L333 HydrophobicContact CB-CD1 3.69Å; E268-L333 WeakPolarHBondContact O-CB 3.5Å; E268-L333 PolarHBondContact O-N 3.24Å; I270-L333 HydrophobicContact CD1-CD1 4.45Å; I270-L333 HydrophobicContact CD1-CD2 4.23Å; I270-L333 HydrophobicContact CG1-CD1 4.37Å; V331-L333 HydrophobicContact CG1-CD2 4.43Å; L333-Q335 HydrophobicContact CB-CG 4.44Å
334	L	97.9	Very high	97.4	Very high	6 Å²	6	26.7 Å²	26.7	3%	0.031	14%	0.142	C	C	.	.			trans	-81.9	-41	-179.7	-59.2	-173.5	0	0	0	112.5	Q18 N21 C332 G336 R337 F339 L342	Q18-L334 HydrophobicContact CG-CD1 4.17Å; N21-L334 WeakPolarHBondContact O-CA 3.28Å; N21-L334 WeakPolarHBondContact O-CB 3.47Å; N21-L334 PolarHBondContact O-N 3.26Å; C332-L334 PolarHBondContact O-N 3.31Å; L334-G336 PolarHBondContact O-N 3Å; L334-R337 WeakPolarHBondContact CB-O 3.15Å; L334-R337 WeakPolarHBondContact O-CB 3.33Å; L334-R337 PolarHBondContact O-N 3.22Å; L334-R337 VanDerWaalsContact O-N 3.09Å; L334-F339 HydrophobicContact CD2-CB 4.33Å; L334-F339 HydrophobicContact CD2-CD2 4.08Å; L334-L342 HydrophobicContact CD2-CB 4.42Å; L334-L342 HydrophobicContact CD2-CD2 4.42Å
335	Q	93.4	Very high	97.5	Very high	25 Å²	25	25.7 Å²	25.7	12%	0.117	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	51	178.1	-53.8	-175.1	40.5	0	0	113	N21 V264 L333 R337	N21-Q335 PolarHBondContact O-N 2.64Å; V264-Q335 VanDerWaalsContact CA-OE1 3.26Å; L333-Q335 HydrophobicContact CB-CG 4.44Å; Q335-R337 VanDerWaalsContact C-N 3.28Å; Q335-R337 PolarHBondContact O-N 2.92Å
336	G	95.2	Very high	97.4	Very high	39 Å²	39	25.8 Å²	25.8	40%	0.402	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	-1.9	179.4	0	0	0	0	0	115.5	E20 L334	E20-G336 WeakPolarHBondContact O-CA 3.5Å; E20-G336 PolarHBondContact O-N 3.49Å; L334-G336 PolarHBondContact O-N 3Å
337	R	96.8	Very high	97.2	Very high	62 Å²	62	29.3 Å²	29.3	23%	0.234	16%	0.162	C	C	.	.	S	Bend	trans	-106.2	151.7	-178.7	-66.3	-172.3	-70.3	-151.9	-8.4	111.6	V264 E265 L334 Q335 D341 K345	V264-R337 PolarHBondContact O-NH2 3.33Å; E265-R337 IonicContact OE1-CZ 3.96Å; E265-R337 IonicContact OE1-NH1 2.95Å; E265-R337 PolarHBondContact OE1-NH1 3.33Å; E265-R337 IonicContact OE1-NH2 3.96Å; L334-R337 WeakPolarHBondContact CB-O 3.15Å; L334-R337 WeakPolarHBondContact O-CB 3.33Å; L334-R337 PolarHBondContact O-N 3.22Å; L334-R337 VanDerWaalsContact O-N 3.09Å; Q335-R337 VanDerWaalsContact C-N 3.28Å; Q335-R337 PolarHBondContact O-N 2.92Å; R337-D341 HydrophobicContact CB-CB 3.87Å; R337-D341 IonicContact CZ-OD2 2.63Å; R337-D341 VanDerWaalsContact CZ-OD2 3.29Å; R337-D341 IonicContact NE-OD1 2.85Å; R337-D341 IonicContact NE-OD2 3.01Å; R337-D341 PolarHBondContact NE-OD2 3.35Å; R337-D341 IonicContact NH1-OD2 3.94Å; R337-D341 IonicContact NH2-OD2 3.99Å; R337-K345 VanDerWaalsContact NH2-CE 3.28Å
338	P	96.6	Very high	96.9	Very high	86 Å²	86	33.6 Å²	33.6	56%	0.558	18%	0.178	S	C	*	.			trans	-63	155.1	176.5	27.6	-36	0	0	0	111.3	S340 D341	P338-S340 PolarHBondContact O-N 3.27Å; P338-D341 WeakPolarHBondContact O-CB 3.18Å; P338-D341 PolarHBondContact O-N 2.88Å
339	F	96.5	Very high	96.5	Very high	39 Å²	39	38 Å²	38	17%	0.171	21%	0.209	C	C	.	.	H	α-helix	trans	-53.9	-28.3	177.4	-171.9	-92.3	0	0	0	113.6	L294 P300 C332 L334 D341 L342 Q343	L294-F339 HydrophobicContact CD2-CE2 4.39Å; L294-F339 HydrophobicContact CD2-CZ 3.8Å; P300-F339 HydrophobicContact CG-CE2 3.77Å; P300-F339 HydrophobicContact CG-CZ 4.12Å; C332-F339 HydrophobicContact CB-CE2 4.48Å; L334-F339 HydrophobicContact CD2-CB 4.33Å; L334-F339 HydrophobicContact CD2-CD2 4.08Å; F339-D341 PolarHBondContact O-N 3.07Å; F339-L342 HydrophobicContact CD2-CD2 4.44Å; F339-L342 HydrophobicContact CE2-CD2 4.18Å; F339-L342 WeakPolarHBondContact O-CB 3.4Å; F339-L342 PolarHBondContact O-N 3.17Å; F339-L342 VanDerWaalsContact O-N 3.09Å; F339-Q343 PolarHBondContact O-N 3.14Å
340	S	97	Very high	96.1	Very high	63 Å²	63	38.4 Å²	38.4	44%	0.441	21%	0.212	S	C	.	.	H	α-helix	trans	-64.3	-24.2	174.6	58.1	0	0	0	0	114	P338 R344	P338-S340 PolarHBondContact O-N 3.27Å; S340-R344 PolarHBondContact O-N 2.88Å; S340-R344 VanDerWaalsContact O-N 3.09Å
341	D	97.3	Very high	95.4	Very high	10 Å²	10	42.2 Å²	42.2	5%	0.053	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-43.9	169.6	-179.2	77.2	0	0	0	111	R337 P338 F339 R344 K345	R337-D341 HydrophobicContact CB-CB 3.87Å; R337-D341 IonicContact CZ-OD2 2.63Å; R337-D341 VanDerWaalsContact CZ-OD2 3.29Å; R337-D341 IonicContact NE-OD1 2.85Å; R337-D341 IonicContact NE-OD2 3.01Å; R337-D341 PolarHBondContact NE-OD2 3.35Å; R337-D341 IonicContact NH1-OD2 3.94Å; R337-D341 IonicContact NH2-OD2 3.99Å; P338-D341 WeakPolarHBondContact O-CB 3.18Å; P338-D341 PolarHBondContact O-N 2.88Å; F339-D341 PolarHBondContact O-N 3.07Å; D341-R344 WeakPolarHBondContact O-CB 3.4Å; D341-R344 PolarHBondContact O-N 3.41Å; D341-R344 IonicContact OD1-CZ 3.48Å; D341-R344 IonicContact OD1-NE 3.91Å; D341-R344 IonicContact OD1-NH2 2.58Å; D341-R344 PolarHBondContact OD1-NH2 2.93Å; D341-K345 WeakPolarHBondContact O-CG 3.45Å; D341-K345 PolarHBondContact O-N 2.96Å; D341-K345 VanDerWaalsContact OD2-CE 3.3Å; D341-K345 WeakPolarHBondContact OD2-CE 3.48Å; D341-K345 IonicContact OD2-NZ 2.78Å
342	L	97.8	Very high	94.5	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-44.9	174.6	176.8	62.4	0	0	0	111.4	E268 C332 L334 F339 R344 K345 C346	E268-L342 HydrophobicContact CB-CD1 3.91Å; E268-L342 WeakPolarHBondContact O-CD1 3.31Å; C332-L342 HydrophobicContact CB-CD2 3.35Å; L334-L342 HydrophobicContact CD2-CB 4.42Å; L334-L342 HydrophobicContact CD2-CD2 4.42Å; F339-L342 HydrophobicContact CD2-CD2 4.44Å; F339-L342 HydrophobicContact CE2-CD2 4.18Å; F339-L342 WeakPolarHBondContact O-CB 3.4Å; F339-L342 PolarHBondContact O-N 3.17Å; F339-L342 VanDerWaalsContact O-N 3.09Å; L342-R344 VanDerWaalsContact C-N 3.29Å; L342-R344 PolarHBondContact O-N 3.28Å; L342-K345 WeakPolarHBondContact O-CB 3.34Å; L342-K345 PolarHBondContact O-N 3.2Å; L342-C346 PolarHBondContact O-N 3.02Å; L342-C346 PolarHBondContact O-SG 2.89Å
343	Q	97.3	Very high	93.3	Very high	67 Å²	67	46.3 Å²	46.3	31%	0.313	27%	0.273	S	S	.	.	H	α-helix	trans	-52.7	-50.1	173.7	180	178	7.4	0	0	110.8	L294 S295 F339 K345 C346 S347	L294-Q343 WeakPolarHBondContact O-CG 3.48Å; S295-Q343 VanDerWaalsContact O-CG 3.24Å; S295-Q343 WeakPolarHBondContact O-CG 3.42Å; S295-Q343 PolarHBondContact O-NE2 2.8Å; F339-Q343 PolarHBondContact O-N 3.14Å; Q343-K345 VanDerWaalsContact C-N 3.33Å; Q343-K345 PolarHBondContact O-N 3.05Å; Q343-C346 PolarHBondContact O-N 2.85Å; Q343-S347 PolarHBondContact O-N 3.49Å; Q343-S347 PolarHBondContact O-OG 3.05Å; Q343-S347 VanDerWaalsContact O-OG 3.05Å
344	R	96.7	Very high	91.7	Very high	135 Å²	135	50.7 Å²	50.7	51%	0.509	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-38.2	177	177	177.1	57.1	-105.4	8	112.6	S340 D341 L342 S347 R348	S340-R344 PolarHBondContact O-N 2.88Å; S340-R344 VanDerWaalsContact O-N 3.09Å; D341-R344 WeakPolarHBondContact O-CB 3.4Å; D341-R344 PolarHBondContact O-N 3.41Å; D341-R344 IonicContact OD1-CZ 3.48Å; D341-R344 IonicContact OD1-NE 3.91Å; D341-R344 IonicContact OD1-NH2 2.58Å; D341-R344 PolarHBondContact OD1-NH2 2.93Å; L342-R344 VanDerWaalsContact C-N 3.29Å; L342-R344 PolarHBondContact O-N 3.28Å; R344-S347 PolarHBondContact O-N 3.14Å; R344-R348 PolarHBondContact O-N 3.22Å
345	K	96.1	Very high	89.9	Confident	1 Å²	1	54.4 Å²	54.4	0%	0.004	33%	0.333	C	S	.	.	H	α-helix	trans	-61.8	-48.6	174.6	-73.4	174.9	171.5	-175	0	111.2	V264 E268 R291 R337 D341 L342 Q343 S347 R348	V264-K345 WeakPolarHBondContact O-CE 3.47Å; V264-K345 PolarHBondContact O-NZ 3.42Å; E268-K345 HydrophobicContact CG-CB 4.31Å; R291-K345 PolarHBondContact NH2-O 3.48Å; R337-K345 VanDerWaalsContact NH2-CE 3.28Å; D341-K345 WeakPolarHBondContact O-CG 3.45Å; D341-K345 PolarHBondContact O-N 2.96Å; D341-K345 VanDerWaalsContact OD2-CE 3.3Å; D341-K345 WeakPolarHBondContact OD2-CE 3.48Å; D341-K345 IonicContact OD2-NZ 2.78Å; L342-K345 WeakPolarHBondContact O-CB 3.34Å; L342-K345 PolarHBondContact O-N 3.2Å; Q343-K345 VanDerWaalsContact C-N 3.33Å; Q343-K345 PolarHBondContact O-N 3.05Å; K345-S347 PolarHBondContact O-N 3.22Å; K345-R348 VanDerWaalsContact O-CB 3.28Å; K345-R348 WeakPolarHBondContact O-CB 3.37Å; K345-R348 WeakPolarHBondContact O-CG 3.42Å; K345-R348 PolarHBondContact O-N 3.29Å
346	C	96.1	Very high	88.4	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.02	33%	0.329	C	S	.	.	H	α-helix	trans	-64.3	-22.8	177.7	-66.5	0	0	0	0	113.1	R291 L294 L342 Q343 R348	R291-C346 HydrophobicContact CG-CB 3.84Å; R291-C346 PolarHBondContact NH1-O 3.04Å; R291-C346 PolarHBondContact NH2-O 2.84Å; R291-C346 VanDerWaalsContact NH2-O 3.16Å; L294-C346 HydrophobicContact CB-CB 4.34Å; L342-C346 PolarHBondContact O-N 3.02Å; L342-C346 PolarHBondContact O-SG 2.89Å; Q343-C346 PolarHBondContact O-N 2.85Å; C346-R348 VanDerWaalsContact C-N 3.35Å
347	S	94.7	Very high	86.6	Confident	74 Å²	74	53.7 Å²	53.7	52%	0.517	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7	172.6	-54.4	0	0	0	0	114.7	Q343 R344 K345	Q343-S347 PolarHBondContact O-N 3.49Å; Q343-S347 PolarHBondContact O-OG 3.05Å; Q343-S347 VanDerWaalsContact O-OG 3.05Å; R344-S347 PolarHBondContact O-N 3.14Å; K345-S347 PolarHBondContact O-N 3.22Å
348	R	93.4	Very high	84.5	Confident	91 Å²	91	56 Å²	56	34%	0.343	34%	0.337	S	S	.	.	S	Bend	trans	-69.8	156.6	177.4	-62.1	171.2	-174.6	177.7	-1.3	110.3	E265 R291 R344 K345 C346 C350	E265-R348 PolarHBondContact O-NH1 3.42Å; R291-R348 PolarHBondContact NH1-O 3.49Å; R291-R348 PolarHBondContact NH2-O 3.01Å; R344-R348 PolarHBondContact O-N 3.22Å; K345-R348 VanDerWaalsContact O-CB 3.28Å; K345-R348 WeakPolarHBondContact O-CB 3.37Å; K345-R348 WeakPolarHBondContact O-CG 3.42Å; K345-R348 PolarHBondContact O-N 3.29Å; C346-R348 VanDerWaalsContact C-N 3.35Å; R348-C350 PolarHBondContact O-N 3.47Å
349	S	90.2	Very high	82.3	Confident	94 Å²	94	54.8 Å²	54.8	66%	0.657	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-63.8	133.7	173.9	57.6	0	0	0	0	112.1
350	C	89.2	Confident	79.5	Confident	8 Å²	8	55.1 Å²	55.1	5%	0.054	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-73.5	127.9	172.3	-176.1	0	0	0	0	111.6	G191 R348 A352 G353 A356 D357	G191-C350 VanDerWaalsContact C-SG 3.54Å; R348-C350 PolarHBondContact O-N 3.47Å; C350-A352 PolarHBondContact O-N 2.94Å; C350-G353 PolarHBondContact O-N 3.08Å; C350-A356 HydrophobicContact CB-CB 4.36Å; C350-A356 VanDerWaalsContact SG-CB 3.59Å; C350-D357 WeakPolarHBondContact CB-OD1 3.5Å; C350-D357 VanDerWaalsContact CB-OD2 3.26Å; C350-D357 WeakPolarHBondContact CB-OD2 3.25Å; C350-D357 PolarHBondContact N-OD2 3.32Å
351	P	84.6	Confident	76.5	Confident	81 Å²	81	62.6 Å²	62.6	53%	0.526	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-26	176.8	-23.8	34.3	0	0	0	114.6	R190 G353	R190-P351 HydrophobicContact CB-CG 4.24Å; R190-P351 WeakPolarHBondContact O-CD 3.44Å; P351-G353 PolarHBondContact O-N 3.09Å
352	A	79.7	Confident	75.5	Confident	63 Å²	63	65.2 Å²	65.2	52%	0.521	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	1.5	175.2	0	0	0	0	0	113.2	V192 C350 A356	V192-A352 HydrophobicContact CG2-CB 3.86Å; C350-A352 PolarHBondContact O-N 2.94Å; A352-A356 HydrophobicContact CB-CB 3.94Å
353	G	75.2	Confident	74.3	Confident	24 Å²	24	68.5 Å²	68.5	25%	0.247	42%	0.42	C	S	.	.			trans	90.2	173.1	179.3	0	0	0	0	0	113.2	C350 P351 A355 A356	C350-G353 PolarHBondContact O-N 3.08Å; P351-G353 PolarHBondContact O-N 3.09Å; G353-A355 PolarHBondContact O-N 2.9Å; G353-A356 WeakPolarHBondContact O-CB 3.49Å; G353-A356 PolarHBondContact O-N 2.99Å; G353-A356 VanDerWaalsContact O-N 3.09Å
354	P	65.1	Low	73	Confident	91 Å²	91	68.6 Å²	68.6	59%	0.591	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-65.9	-21.5	-172.9	25.6	-34	0	0	0	113.4	A356 D357 I358	P354-A356 PolarHBondContact O-N 2.73Å; P354-D357 CarbonylContact O-C 3.57Å; P354-D357 WeakPolarHBondContact O-CA 3.26Å; P354-D357 PolarHBondContact O-N 3.04Å; P354-I358 HydrophobicContact CB-CD1 3.99Å; P354-I358 WeakPolarHBondContact O-CD1 3.4Å; P354-I358 WeakPolarHBondContact O-CG1 3.16Å; P354-I358 PolarHBondContact O-N 3.07Å
355	A	60.3	Low	71.6	Confident	85 Å²	85	64.7 Å²	64.7	70%	0.702	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-61.2	-27.6	174.3	0	0	0	0	0	112.6	G353 D357	G353-A355 PolarHBondContact O-N 2.9Å; A355-D357 VanDerWaalsContact C-N 3.28Å
356	A	61.7	Low	70.1	Confident	5 Å²	5	68.7 Å²	68.7	4%	0.041	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-80.4	-6.4	171.8	0	0	0	0	0	113.4	Q284 S288 C350 A352 G353 P354	Q284-A356 HydrophobicContact CG-CB 4.26Å; Q284-A356 PolarHBondContact NE2-O 3.33Å; S288-A356 WeakPolarHBondContact CB-O 3.32Å; S288-A356 PolarHBondContact OG-O 2.9Å; C350-A356 HydrophobicContact CB-CB 4.36Å; C350-A356 VanDerWaalsContact SG-CB 3.59Å; A352-A356 HydrophobicContact CB-CB 3.94Å; G353-A356 WeakPolarHBondContact O-CB 3.49Å; G353-A356 PolarHBondContact O-N 2.99Å; G353-A356 VanDerWaalsContact O-N 3.09Å; P354-A356 PolarHBondContact O-N 2.73Å
357	D	55.6	Low	68.4	Low	44 Å²	44	73.1 Å²	73.1	24%	0.235	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-22.4	175.7	-71.3	-34.6	0	0	0	111.9	R291 C350 P354 A355 L359	R291-D357 IonicContact CZ-OD1 2.7Å; R291-D357 IonicContact NH1-OD1 3.29Å; R291-D357 PolarHBondContact NH1-OD1 3.25Å; R291-D357 IonicContact NH1-OD2 2.73Å; C350-D357 WeakPolarHBondContact CB-OD1 3.5Å; C350-D357 VanDerWaalsContact CB-OD2 3.26Å; C350-D357 WeakPolarHBondContact CB-OD2 3.25Å; C350-D357 PolarHBondContact N-OD2 3.32Å; P354-D357 CarbonylContact O-C 3.57Å; P354-D357 WeakPolarHBondContact O-CA 3.26Å; P354-D357 PolarHBondContact O-N 3.04Å; A355-D357 VanDerWaalsContact C-N 3.28Å; D357-L359 PolarHBondContact O-N 3.22Å
358	I	54.5	Low	66.5	Low	110 Å²	110	73 Å²	73	56%	0.564	47%	0.473	S	S	*	.			trans	-92.6	86.5	-176.5	-58.9	160.7	0	0	0	110.1	P354	P354-I358 HydrophobicContact CB-CD1 3.99Å; P354-I358 WeakPolarHBondContact O-CD1 3.4Å; P354-I358 WeakPolarHBondContact O-CG1 3.16Å; P354-I358 PolarHBondContact O-N 3.07Å
359	L	48.6	Very low	64.4	Low	61 Å²	61	71.6 Å²	71.6	32%	0.319	48%	0.483	S	S	.	.			trans	-128.6	70.8	150.5	-68.8	172.4	0	0	0	108.7	E285 D357	E285-L359 HydrophobicContact CB-CD1 3.36Å; E285-L359 HydrophobicContact CG-CD1 3.41Å; E285-L359 VanDerWaalsContact CG-CD1 3.41Å; E285-L359 HydrophobicContact CG-CD2 4.39Å; E285-L359 WeakPolarHBondContact O-CD1 3.36Å; D357-L359 PolarHBondContact O-N 3.22Å
360	G	39.3	Very low	62.3	Low	45 Å²	45	69.8 Å²	69.8	46%	0.464	47%	0.468	S	S	.	.			trans	-158.7	80.7	177.8	0	0	0	0	0	110.3
361	T	33.8	Very low	59.8	Low	220 Å²	220	75.4 Å²	75.4	100%	1.35	51%	0.506	S	S	*	.			trans	-176	0	133.3	46.3	0	0	0	0	108.5

Retrieved 361 of 361 residues in 1075.3 ms (Link to these results)

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