A0A3Q0KD40_SCHMA Loading...

WD_REPEATS_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KD40, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 488 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	42.2	Very low	77.7	Confident	46 Å²	46	40.1 Å²	40.1	23%	0.227	20%	0.197	C	C	.	.				0	0.2	0	-147.8	171	-143.8	0	0	114.7	D432 Q434	M1-D432 HydrophobicContact CE-CB 3.72Å; M1-D432 WeakPolarHBondContact CE-O 3.35Å; M1-Q434 HydrophobicContact CG-CG 3.92Å
2	F	52.9	Low	78.9	Confident	31 Å²	31	37.3 Å²	37.3	14%	0.136	18%	0.182	C	C	.	.			trans	-138.2	99.5	134.5	-86.6	-65.3	0	0	0	105.8	L387 E390 Y422 I435	F2-L387 HydrophobicContact CD2-CD1 3.05Å; F2-L387 HydrophobicContact CD2-CD2 3.52Å; F2-L387 HydrophobicContact CD2-CG 3.59Å; F2-L387 HydrophobicContact CE2-CD1 3.19Å; F2-L387 HydrophobicContact CE2-CD2 3.56Å; F2-L387 HydrophobicContact CE2-CG 3.88Å; F2-L387 HydrophobicContact CG-CD1 4.09Å; F2-L387 HydrophobicContact CZ-CD1 4.33Å; F2-E390 HydrophobicContact CB-CG 4.37Å; F2-E390 WeakPolarHBondContact CB-OE1 3.32Å; F2-E390 HydrophobicContact CD2-CG 4.18Å; F2-E390 VanDerWaalsContact CD2-OE1 3.24Å; F2-E390 WeakPolarHBondContact CD2-OE1 3.4Å; F2-E390 VanDerWaalsContact CG-OE1 3.26Å; F2-E390 WeakPolarHBondContact CG-OE1 3.37Å; F2-Y422 AromaticContact CE2-CE1 3.84Å; F2-Y422 HydrophobicContact CE2-CE1 3.84Å; F2-Y422 HydrophobicContact CZ-CE1 4.03Å; F2-I435 VanDerWaalsContact CE1-O 3.24Å; F2-I435 WeakPolarHBondContact CE1-O 3.23Å; F2-I435 HydrophobicContact CZ-CB 4.16Å; F2-I435 WeakPolarHBondContact CZ-O 3.39Å
3	Q	62.9	Low	79.7	Confident	98 Å²	98	36.8 Å²	36.8	46%	0.458	18%	0.181	S	C	.	.			trans	-103.3	-11.5	179.8	-76.6	-173	-18.6	0	0	111	D29 T30	Q3-D29 CarbonylContact O-C 3.56Å; Q3-D29 WeakPolarHBondContact O-CA 3.34Å; Q3-T30 HydrophobicContact CB-CG2 3.35Å; Q3-T30 HydrophobicContact CG-CG2 3.16Å; Q3-T30 VanDerWaalsContact NE2-CG2 3.32Å; Q3-T30 PolarHBondContact O-N 3.04Å
4	K	77.7	Confident	80.4	Confident	91 Å²	91	41.3 Å²	41.3	40%	0.396	20%	0.199	S	C	.	.			trans	-144.7	146.7	-171.5	-36.4	-170.8	-177.8	177	0	111	Y28 D29 P69 I71	K4-Y28 CarbonylContact C-O 3.33Å; K4-Y28 WeakPolarHBondContact CA-O 3.49Å; K4-Y28 WeakPolarHBondContact CB-O 3.35Å; K4-D29 HydrophobicContact CB-CB 4.21Å; K4-D29 HydrophobicContact CD-CB 3.83Å; K4-D29 HydrophobicContact CG-CB 3.66Å; K4-P69 HydrophobicContact CB-CG 4.27Å; K4-P69 HydrophobicContact CD-CB 3.67Å; K4-P69 HydrophobicContact CD-CG 3.27Å; K4-P69 HydrophobicContact CG-CG 4.36Å; K4-I71 HydrophobicContact CB-CD1 3.97Å; K4-I71 HydrophobicContact CB-CG1 4.5Å
5	G	85.5	Confident	80.9	Confident	5 Å²	5	38.5 Å²	38.5	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179	-179	-179.5	0	0	0	0	0	113.8	Q27 Y28	G5-Q27 WeakPolarHBondContact O-CA 3.5Å; G5-Y28 VanDerWaalsContact C-CE1 3.43Å; G5-Y28 PolarHBondContact N-O 2.94Å; G5-Y28 WeakPolarHBondContact O-CD1 3.25Å; G5-Y28 WeakPolarHBondContact O-CE1 3.31Å; G5-Y28 PolarHBondContact O-N 2.96Å
6	F	89.4	Confident	81.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	151.4	170.8	-67.6	-66.2	0	0	0	111.5	F25 H26 Q27 V52 L64 I71 K73 F75	F6-F25 AromaticContact CD1-CD2 3.86Å; F6-F25 HydrophobicContact CD1-CD2 3.86Å; F6-F25 AromaticContact CD1-CE2 3.94Å; F6-F25 HydrophobicContact CD1-CE2 3.94Å; F6-F25 HydrophobicContact CE1-CD2 4.23Å; F6-F25 AromaticContact CE1-CE2 3.81Å; F6-F25 HydrophobicContact CE1-CE2 3.81Å; F6-H26 WeakPolarHBondContact CA-O 3.46Å; F6-Q27 HydrophobicContact CD1-CB 3.92Å; F6-Q27 HydrophobicContact CD1-CG 4.06Å; F6-Q27 HydrophobicContact CE1-CB 3.73Å; F6-Q27 HydrophobicContact CE1-CG 3.67Å; F6-Q27 HydrophobicContact CZ-CG 4.35Å; F6-V52 HydrophobicContact CE1-CG1 4.07Å; F6-V52 HydrophobicContact CE1-CG2 4.02Å; F6-V52 HydrophobicContact CZ-CG1 3.89Å; F6-V52 HydrophobicContact CZ-CG2 4.02Å; F6-L64 HydrophobicContact CB-CB 4.41Å; F6-L64 HydrophobicContact CB-CD1 4.06Å; F6-L64 HydrophobicContact CD1-CD1 4.33Å; F6-L64 HydrophobicContact CD2-CB 3.63Å; F6-L64 HydrophobicContact CE2-CB 3.95Å; F6-L64 HydrophobicContact CG-CB 3.98Å; F6-L64 HydrophobicContact CG-CD1 4.11Å; F6-I71 HydrophobicContact CD2-CB 4.34Å; F6-I71 HydrophobicContact CD2-CG2 3.55Å; F6-I71 HydrophobicContact CE2-CB 3.97Å; F6-I71 HydrophobicContact CE2-CG2 3.7Å; F6-K73 HydrophobicContact CB-CD 4.4Å; F6-K73 HydrophobicContact CD2-CB 4.44Å; F6-K73 WeakPolarHBondContact O-CD 3.35Å; F6-K73 PolarHBondContact O-NZ 3.27Å; F6-F75 HydrophobicContact CB-CE2 4.26Å; F6-F75 HydrophobicContact CB-CZ 3.93Å
7	R	88.7	Confident	81.6	Confident	22 Å²	22	41.4 Å²	41.4	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.8	165.9	-80	160	173	-138.9	-6.9	107.8	F25 H26 Y28 D416 V444	R7-F25 CarbonylContact O-C 3.37Å; R7-F25 WeakPolarHBondContact O-CA 3.39Å; R7-F25 VanDerWaalsContact O-CB 3.28Å; R7-F25 WeakPolarHBondContact O-CB 3.26Å; R7-H26 WeakPolarHBondContact CB-CE1 3.38Å; R7-H26 WeakPolarHBondContact CB-NE2 3.28Å; R7-H26 WeakPolarHBondContact CD-NE2 3.06Å; R7-H26 PolarHBondContact N-O 3.37Å; R7-H26 PolarHBondContact O-N 2.97Å; R7-Y28 HydrophobicContact CG-CD1 4.39Å; R7-Y28 HydrophobicContact CG-CE1 3.85Å; R7-D416 IonicContact NH2-OD2 3.18Å; R7-V444 HydrophobicContact CB-CG2 4.43Å; R7-V444 HydrophobicContact CG-CG2 3.74Å
8	I	91.6	Very high	81.9	Confident	7 Å²	7	46.9 Å²	46.9	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	155.3	178	-161.8	166.8	0	0	0	109.6	W12 I23 F25 L38 L62 F75	I8-W12 HydrophobicContact CD1-CB 3.84Å; I8-W12 HydrophobicContact CD1-CD2 4.48Å; I8-W12 HydrophobicContact CD1-CG 3.92Å; I8-W12 HydrophobicContact CG1-CB 4.05Å; I8-W12 HydrophobicContact CG1-CG 4.37Å; I8-W12 HydrophobicContact CG2-CG 4.44Å; I8-I23 HydrophobicContact CD1-CG2 3.95Å; I8-I23 HydrophobicContact CG1-CG2 3.95Å; I8-F25 HydrophobicContact CB-CB 4.35Å; I8-F25 HydrophobicContact CG1-CB 4.2Å; I8-L38 HydrophobicContact CD1-CD1 4.32Å; I8-L62 HydrophobicContact CD1-CD1 3.9Å; I8-L62 HydrophobicContact CD1-CD2 3.9Å; I8-F75 HydrophobicContact CB-CD1 4.18Å; I8-F75 HydrophobicContact CB-CE1 4.13Å; I8-F75 HydrophobicContact CB-CE2 4.49Å; I8-F75 HydrophobicContact CB-CG 4.37Å; I8-F75 HydrophobicContact CB-CZ 4.28Å; I8-F75 HydrophobicContact CG2-CB 4.08Å; I8-F75 HydrophobicContact CG2-CD1 3.25Å; I8-F75 HydrophobicContact CG2-CD2 4.18Å; I8-F75 HydrophobicContact CG2-CE1 3.61Å; I8-F75 HydrophobicContact CG2-CE2 4.48Å; I8-F75 HydrophobicContact CG2-CG 3.56Å; I8-F75 HydrophobicContact CG2-CZ 4.2Å
9	Q	90.5	Very high	82.1	Confident	32 Å²	32	51.6 Å²	51.6	15%	0.15	26%	0.26	C	S	.	.			trans	-56.1	134.7	171.3	70.5	-174.7	25.3	0	0	110.3	N11 W12 A15 I23 W24	Q9-N11 PolarHBondContact O-N 3.19Å; Q9-N11 VanDerWaalsContact O-N 3.09Å; Q9-W12 HydrophobicContact CG-CB 4.06Å; Q9-W12 PolarHBondContact O-N 3.01Å; Q9-A15 VanDerWaalsContact NE2-CB 3.29Å; Q9-I23 HydrophobicContact CG-CG2 3.87Å; Q9-W24 PolarHBondContact N-O 2.88Å; Q9-W24 VanDerWaalsContact OE1-N 3.07Å
10	P	86.3	Confident	82.5	Confident	40 Å²	40	52.7 Å²	52.7	26%	0.26	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.2	-171.7	-25.8	31.9	0	0	0	115.4	V444 N445	P10-V444 WeakPolarHBondContact CG-O 3.35Å; P10-N445 HydrophobicContact CG-CB 4.47Å
11	N	87.4	Confident	82.8	Confident	69 Å²	69	55.9 Å²	55.9	37%	0.369	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	33.4	-174.3	64.5	-43.7	0	0	0	112.3	Q9 D13 K14 A15	Q9-N11 PolarHBondContact O-N 3.19Å; Q9-N11 VanDerWaalsContact O-N 3.09Å; N11-D13 VanDerWaalsContact C-OD1 3.31Å; N11-D13 WeakPolarHBondContact CA-OD1 3.27Å; N11-D13 PolarHBondContact O-N 3.26Å; N11-K14 HydrophobicContact CB-CB 4.25Å; N11-K14 HydrophobicContact CB-CD 4.33Å; N11-K14 WeakPolarHBondContact O-CB 3.35Å; N11-K14 PolarHBondContact O-N 2.87Å; N11-K14 VanDerWaalsContact O-N 3.09Å; N11-A15 PolarHBondContact O-N 3.26Å
12	W	91.3	Very high	85.3	Confident	6 Å²	6	56.8 Å²	56.8	2%	0.023	28%	0.278	C	S	.	.	H	α-helix	trans	-58.7	-34	-178.9	64.3	-91.9	0	0	0	112.9	I8 Q9 A15 L16 I23 L56 L62 F75 C77	I8-W12 HydrophobicContact CD1-CB 3.84Å; I8-W12 HydrophobicContact CD1-CD2 4.48Å; I8-W12 HydrophobicContact CD1-CG 3.92Å; I8-W12 HydrophobicContact CG1-CB 4.05Å; I8-W12 HydrophobicContact CG1-CG 4.37Å; I8-W12 HydrophobicContact CG2-CG 4.44Å; Q9-W12 HydrophobicContact CG-CB 4.06Å; Q9-W12 PolarHBondContact O-N 3.01Å; W12-A15 WeakPolarHBondContact O-CB 3.3Å; W12-A15 PolarHBondContact O-N 3.19Å; W12-L16 HydrophobicContact CE3-CD1 3.76Å; W12-L16 HydrophobicContact CZ3-CD1 3.67Å; W12-L16 PolarHBondContact O-N 2.78Å; W12-I23 HydrophobicContact CB-CG2 3.65Å; W12-L56 HydrophobicContact CH2-CD1 4.44Å; W12-L56 HydrophobicContact CZ3-CD1 4.01Å; W12-L62 HydrophobicContact CD2-CD1 4.34Å; W12-L62 HydrophobicContact CE3-CB 4.3Å; W12-L62 HydrophobicContact CE3-CD1 3.8Å; W12-L62 HydrophobicContact CH2-CB 3.74Å; W12-L62 HydrophobicContact CZ2-CB 4.09Å; W12-L62 HydrophobicContact CZ3-CB 3.86Å; W12-L62 HydrophobicContact CZ3-CD1 4Å; W12-F75 WeakPolarHBondContact CZ2-O 3.33Å; W12-C77 HydrophobicContact CH2-CB 4.45Å; W12-C77 HydrophobicContact CZ2-CB 3.83Å
13	D	89.8	Confident	87.2	Confident	32 Å²	32	55.3 Å²	55.3	17%	0.171	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-41.2	173.5	65.5	-50.2	0	0	0	112.1	N11 A15 L16 S17 C77	N11-D13 VanDerWaalsContact C-OD1 3.31Å; N11-D13 WeakPolarHBondContact CA-OD1 3.27Å; N11-D13 PolarHBondContact O-N 3.26Å; D13-A15 VanDerWaalsContact C-N 3.33Å; D13-L16 WeakPolarHBondContact O-CB 3.35Å; D13-L16 PolarHBondContact O-N 3.26Å; D13-S17 PolarHBondContact O-N 2.81Å; D13-S17 PolarHBondContact O-OG 3.07Å; D13-C77 HydrophobicContact CB-CB 3.52Å
14	K	88.8	Confident	88.6	Confident	99 Å²	99	57.3 Å²	57.3	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-67.9	-36.7	175.3	-65.1	-175.7	-177.9	173.1	0	111.1	N11 L16 S17 K18	N11-K14 HydrophobicContact CB-CB 4.25Å; N11-K14 HydrophobicContact CB-CD 4.33Å; N11-K14 WeakPolarHBondContact O-CB 3.35Å; N11-K14 PolarHBondContact O-N 2.87Å; N11-K14 VanDerWaalsContact O-N 3.09Å; K14-L16 VanDerWaalsContact C-N 3.34Å; K14-S17 WeakPolarHBondContact CA-OG 3.47Å; K14-S17 PolarHBondContact O-N 2.87Å; K14-S17 PolarHBondContact O-OG 2.77Å; K14-S17 VanDerWaalsContact O-OG 3.05Å; K14-K18 VanDerWaalsContact O-CB 3.3Å; K14-K18 WeakPolarHBondContact O-CB 3.41Å; K14-K18 VanDerWaalsContact O-CG 3.27Å; K14-K18 WeakPolarHBondContact O-CG 3.43Å; K14-K18 PolarHBondContact O-N 2.82Å
15	A	87.9	Confident	89.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-41.2	174.3	0	0	0	0	0	111.4	Q9 N11 W12 D13 N19 E20 I23	Q9-A15 VanDerWaalsContact NE2-CB 3.29Å; N11-A15 PolarHBondContact O-N 3.26Å; W12-A15 WeakPolarHBondContact O-CB 3.3Å; W12-A15 PolarHBondContact O-N 3.19Å; D13-A15 VanDerWaalsContact C-N 3.33Å; A15-N19 PolarHBondContact O-N 2.98Å; A15-E20 HydrophobicContact CB-CB 4.04Å; A15-E20 HydrophobicContact CB-CG 4.32Å; A15-E20 VanDerWaalsContact CB-OE2 3.32Å; A15-E20 WeakPolarHBondContact CB-OE2 3.26Å; A15-E20 WeakPolarHBondContact O-CB 3.45Å; A15-E20 PolarHBondContact O-N 3.24Å; A15-I23 HydrophobicContact CB-CG1 4.01Å
16	L	87.4	Confident	89.6	Confident	33 Å²	33	54.4 Å²	54.4	17%	0.173	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-52.6	172.4	-73.8	174.7	0	0	0	112.2	W12 D13 K14 K18 N19 I23 L45 L56	W12-L16 HydrophobicContact CE3-CD1 3.76Å; W12-L16 HydrophobicContact CZ3-CD1 3.67Å; W12-L16 PolarHBondContact O-N 2.78Å; D13-L16 WeakPolarHBondContact O-CB 3.35Å; D13-L16 PolarHBondContact O-N 3.26Å; K14-L16 VanDerWaalsContact C-N 3.34Å; L16-K18 VanDerWaalsContact C-N 3.25Å; L16-K18 PolarHBondContact O-N 3.09Å; L16-N19 PolarHBondContact O-N 3.33Å; L16-I23 HydrophobicContact CD1-CD1 4.42Å; L16-I23 HydrophobicContact CD2-CD1 3.73Å; L16-I23 HydrophobicContact CG-CD1 3.7Å; L16-L45 HydrophobicContact CD2-CD1 4.23Å; L16-L45 HydrophobicContact CD2-CD2 3.89Å; L16-L45 HydrophobicContact CD2-CG 4.33Å; L16-L56 HydrophobicContact CD1-CD1 4.34Å
17	S	86.6	Confident	89.6	Confident	92 Å²	92	55.3 Å²	55.3	64%	0.643	27%	0.266	S	S	*	.	H	α-helix	trans	-64.8	-28	-177.5	56.5	0	0	0	0	113.7	D13 K14 N19	D13-S17 PolarHBondContact O-N 2.81Å; D13-S17 PolarHBondContact O-OG 3.07Å; K14-S17 WeakPolarHBondContact CA-OG 3.47Å; K14-S17 PolarHBondContact O-N 2.87Å; K14-S17 PolarHBondContact O-OG 2.77Å; K14-S17 VanDerWaalsContact O-OG 3.05Å; S17-N19 VanDerWaalsContact C-N 3.27Å
18	K	88.3	Confident	89.5	Confident	141 Å²	141	55.9 Å²	55.9	61%	0.613	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	3.5	173.6	-69.9	178.7	-179.1	-177.2	0	114	K14 L16 E20	K14-K18 VanDerWaalsContact O-CB 3.3Å; K14-K18 WeakPolarHBondContact O-CB 3.41Å; K14-K18 VanDerWaalsContact O-CG 3.27Å; K14-K18 WeakPolarHBondContact O-CG 3.43Å; K14-K18 PolarHBondContact O-N 2.82Å; L16-K18 VanDerWaalsContact C-N 3.25Å; L16-K18 PolarHBondContact O-N 3.09Å; K18-E20 HydrophobicContact CB-CG 4.09Å; K18-E20 PolarHBondContact O-N 3.26Å
19	N	85	Confident	89.1	Confident	136 Å²	136	57.9 Å²	57.9	73%	0.727	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	37.8	-173.4	-64.9	-38.3	0	0	0	112.5	A15 L16 S17	A15-N19 PolarHBondContact O-N 2.98Å; L16-N19 PolarHBondContact O-N 3.33Å; S17-N19 VanDerWaalsContact C-N 3.27Å
20	E	89.5	Confident	88.3	Confident	74 Å²	74	60.4 Å²	60.4	35%	0.346	30%	0.297	S	S	.	.			trans	-63.2	140.3	171	-67.6	-179.2	-166.2	0	0	109.1	A15 K18 Y22 N40	A15-E20 HydrophobicContact CB-CB 4.04Å; A15-E20 HydrophobicContact CB-CG 4.32Å; A15-E20 VanDerWaalsContact CB-OE2 3.32Å; A15-E20 WeakPolarHBondContact CB-OE2 3.26Å; A15-E20 WeakPolarHBondContact O-CB 3.45Å; A15-E20 PolarHBondContact O-N 3.24Å; K18-E20 HydrophobicContact CB-CG 4.09Å; K18-E20 PolarHBondContact O-N 3.26Å; E20-Y22 VanDerWaalsContact C-N 3.28Å; E20-Y22 PolarHBondContact O-N 2.97Å; E20-N40 WeakPolarHBondContact O-CB 3.39Å; E20-N40 PolarHBondContact O-ND2 3.46Å
21	K	90.3	Very high	87.9	Confident	120 Å²	120	64.8 Å²	64.8	52%	0.522	32%	0.322	S	S	.	.	S	Bend	trans	-68.2	-30.6	-174.9	-169.1	175.7	-177.4	-168.2	0	112.6	N40	K21-N40 PolarHBondContact O-N 3.26Å
22	Y	93.3	Very high	87.8	Confident	65 Å²	65	63.5 Å²	63.5	26%	0.255	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.8	-171.7	-58.4	-59.8	0	0	0	111.6	E20 K37 L38 E39	E20-Y22 VanDerWaalsContact C-N 3.28Å; E20-Y22 PolarHBondContact O-N 2.97Å; Y22-K37 HydrophobicContact CD1-CD 3.85Å; Y22-K37 HydrophobicContact CD1-CG 4.27Å; Y22-K37 HydrophobicContact CE1-CD 4.09Å; Y22-K37 HydrophobicContact CG-CD 4.28Å; Y22-L38 WeakPolarHBondContact CA-O 3.47Å; Y22-E39 HydrophobicContact CD1-CB 4.29Å; Y22-E39 HydrophobicContact CD1-CG 4.47Å; Y22-E39 HydrophobicContact CE1-CB 4.14Å; Y22-E39 HydrophobicContact CE1-CG 4.01Å
23	I	93.2	Very high	87.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.7	166.9	-59.1	172.3	0	0	0	107.2	I8 Q9 W12 A15 L16 K37 L38 L45	I8-I23 HydrophobicContact CD1-CG2 3.95Å; I8-I23 HydrophobicContact CG1-CG2 3.95Å; Q9-I23 HydrophobicContact CG-CG2 3.87Å; W12-I23 HydrophobicContact CB-CG2 3.65Å; A15-I23 HydrophobicContact CB-CG1 4.01Å; L16-I23 HydrophobicContact CD1-CD1 4.42Å; L16-I23 HydrophobicContact CD2-CD1 3.73Å; L16-I23 HydrophobicContact CG-CD1 3.7Å; I23-K37 CarbonylContact O-C 3.48Å; I23-K37 WeakPolarHBondContact O-CA 3.46Å; I23-L38 HydrophobicContact CB-CB 4.21Å; I23-L38 HydrophobicContact CB-CD1 4.36Å; I23-L38 HydrophobicContact CG2-CD1 4.31Å; I23-L38 PolarHBondContact N-O 3.29Å; I23-L38 PolarHBondContact O-N 3.04Å; I23-L45 HydrophobicContact CD1-CD1 4.18Å; I23-L45 HydrophobicContact CD1-CD2 3.8Å
24	W	93.3	Very high	87.7	Confident	139 Å²	139	70.1 Å²	70.1	53%	0.527	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	140.6	-177.8	-61	93.2	0	0	0	111.6	Q9 K37	Q9-W24 PolarHBondContact N-O 2.88Å; Q9-W24 VanDerWaalsContact OE1-N 3.07Å; W24-K37 HydrophobicContact CD2-CB 4.42Å; W24-K37 HydrophobicContact CE3-CB 3.95Å; W24-K37 HydrophobicContact CH2-CD 4.36Å; W24-K37 HydrophobicContact CZ3-CB 4.05Å; W24-K37 HydrophobicContact CZ3-CD 4.4Å
25	F	93.4	Very high	87.9	Confident	4 Å²	4	73.6 Å²	73.6	2%	0.018	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166.2	170.2	75	-80.3	0	0	0	109.9	F6 R7 I8 H36 L38 P47 V52 L64	F6-F25 AromaticContact CD1-CD2 3.86Å; F6-F25 HydrophobicContact CD1-CD2 3.86Å; F6-F25 AromaticContact CD1-CE2 3.94Å; F6-F25 HydrophobicContact CD1-CE2 3.94Å; F6-F25 HydrophobicContact CE1-CD2 4.23Å; F6-F25 AromaticContact CE1-CE2 3.81Å; F6-F25 HydrophobicContact CE1-CE2 3.81Å; R7-F25 CarbonylContact O-C 3.37Å; R7-F25 WeakPolarHBondContact O-CA 3.39Å; R7-F25 VanDerWaalsContact O-CB 3.28Å; R7-F25 WeakPolarHBondContact O-CB 3.26Å; I8-F25 HydrophobicContact CB-CB 4.35Å; I8-F25 HydrophobicContact CG1-CB 4.2Å; F25-H36 HydrophobicContact CD1-CB 3.85Å; F25-H36 HydrophobicContact CD2-CB 4.08Å; F25-H36 HydrophobicContact CE1-CB 3.36Å; F25-H36 HydrophobicContact CE2-CB 3.61Å; F25-H36 HydrophobicContact CG-CB 4.2Å; F25-H36 HydrophobicContact CZ-CB 3.24Å; F25-H36 AromaticContact CZ-CG 3.99Å; F25-H36 PolarHBondContact N-O 2.62Å; F25-H36 CarbonylContact O-C 3.53Å; F25-H36 PolarHBondContact O-N 2.97Å; F25-L38 HydrophobicContact CD1-CD1 4.44Å; F25-L38 HydrophobicContact CD1-CD2 4Å; F25-L38 HydrophobicContact CD1-CG 3.75Å; F25-L38 HydrophobicContact CE1-CD2 3.53Å; F25-L38 HydrophobicContact CE1-CG 3.77Å; F25-L38 HydrophobicContact CZ-CD2 4.26Å; F25-P47 HydrophobicContact CZ-CB 4.48Å; F25-V52 HydrophobicContact CE2-CG1 3.95Å; F25-V52 HydrophobicContact CE2-CG2 4.41Å; F25-V52 HydrophobicContact CZ-CB 4.41Å; F25-V52 HydrophobicContact CZ-CG1 3.86Å; F25-V52 HydrophobicContact CZ-CG2 4.48Å; F25-L64 HydrophobicContact CB-CD1 4.21Å; F25-L64 HydrophobicContact CD2-CD1 3.89Å; F25-L64 HydrophobicContact CE2-CD1 4.44Å; F25-L64 HydrophobicContact CG-CD1 4.08Å
26	H	90.2	Very high	88.1	Confident	32 Å²	32	74.7 Å²	74.7	15%	0.148	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.9	168.7	58.4	-87.7	0	0	0	111	F6 R7 T33 K34 Y35	F6-H26 WeakPolarHBondContact CA-O 3.46Å; R7-H26 WeakPolarHBondContact CB-CE1 3.38Å; R7-H26 WeakPolarHBondContact CB-NE2 3.28Å; R7-H26 WeakPolarHBondContact CD-NE2 3.06Å; R7-H26 PolarHBondContact N-O 3.37Å; R7-H26 PolarHBondContact O-N 2.97Å; H26-T33 HydrophobicContact CB-CG2 3.99Å; H26-T33 VanDerWaalsContact CD2-CG2 3.41Å; H26-T33 WeakPolarHBondContact CD2-CG2 3.38Å; H26-K34 CarbonylContact C-O 3.47Å; H26-K34 WeakPolarHBondContact CA-O 3.32Å; H26-K34 WeakPolarHBondContact CB-O 3.33Å; H26-Y35 HydrophobicContact CB-CD1 3.79Å; H26-Y35 HydrophobicContact CB-CE1 4.1Å; H26-Y35 HydrophobicContact CB-CG 4.22Å
27	Q	88.8	Confident	88.5	Confident	19 Å²	19	76.2 Å²	76.2	9%	0.089	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	131.2	169.6	-169.1	177.4	11.8	0	0	107.4	G5 F6 K34 S66 I71	G5-Q27 WeakPolarHBondContact O-CA 3.5Å; F6-Q27 HydrophobicContact CD1-CB 3.92Å; F6-Q27 HydrophobicContact CD1-CG 4.06Å; F6-Q27 HydrophobicContact CE1-CB 3.73Å; F6-Q27 HydrophobicContact CE1-CG 3.67Å; F6-Q27 HydrophobicContact CZ-CG 4.35Å; Q27-K34 PolarHBondContact N-O 3.05Å; Q27-K34 PolarHBondContact O-N 2.83Å; Q27-S66 PolarHBondContact NE2-OG 3.19Å; Q27-I71 HydrophobicContact CG-CD1 4.34Å
28	Y	86.4	Confident	88.9	Confident	33 Å²	33	71.9 Å²	71.9	13%	0.129	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152	176.8	61.9	-86.4	0	0	0	110.8	K4 G5 R7 S32	K4-Y28 CarbonylContact C-O 3.33Å; K4-Y28 WeakPolarHBondContact CA-O 3.49Å; K4-Y28 WeakPolarHBondContact CB-O 3.35Å; G5-Y28 VanDerWaalsContact C-CE1 3.43Å; G5-Y28 PolarHBondContact N-O 2.94Å; G5-Y28 WeakPolarHBondContact O-CD1 3.25Å; G5-Y28 WeakPolarHBondContact O-CE1 3.31Å; G5-Y28 PolarHBondContact O-N 2.96Å; R7-Y28 HydrophobicContact CG-CD1 4.39Å; R7-Y28 HydrophobicContact CG-CE1 3.85Å; Y28-S32 WeakPolarHBondContact CA-O 3.35Å
29	D	82.5	Confident	89.1	Confident	50 Å²	50	67.4 Å²	67.4	27%	0.267	32%	0.324	S	S	.	.			trans	-127.4	-167.1	161.2	65	25.5	0	0	0	110.5	Q3 K4 V31 S32	Q3-D29 CarbonylContact O-C 3.56Å; Q3-D29 WeakPolarHBondContact O-CA 3.34Å; K4-D29 HydrophobicContact CB-CB 4.21Å; K4-D29 HydrophobicContact CD-CB 3.83Å; K4-D29 HydrophobicContact CG-CB 3.66Å; D29-V31 PolarHBondContact O-N 3.32Å; D29-V31 WeakPolarHBondContact OD1-CA 3.47Å; D29-V31 PolarHBondContact OD1-N 3.01Å; D29-S32 PolarHBondContact N-O 3.44Å; D29-S32 PolarHBondContact OD1-N 3.38Å; D29-S32 PolarHBondContact OD1-OG 3.4Å; D29-S32 PolarHBondContact OD2-OG 2.94Å
30	T	74.4	Confident	89.4	Confident	85 Å²	85	62.5 Å²	62.5	52%	0.521	30%	0.297	S	S	.	.	S	Bend	trans	-65.3	-27	177.2	34.4	0	0	0	0	114.4	Q3	Q3-T30 HydrophobicContact CB-CG2 3.35Å; Q3-T30 HydrophobicContact CG-CG2 3.16Å; Q3-T30 VanDerWaalsContact NE2-CG2 3.32Å; Q3-T30 PolarHBondContact O-N 3.04Å
31	V	78.8	Confident	89.3	Confident	132 Å²	132	66.2 Å²	66.2	80%	0.8	31%	0.308	S	S	*	.	S	Bend	trans	-104.2	-31.7	-167.5	-175.3	0	0	0	0	110	D29	D29-V31 PolarHBondContact O-N 3.32Å; D29-V31 WeakPolarHBondContact OD1-CA 3.47Å; D29-V31 PolarHBondContact OD1-N 3.01Å
32	S	83.9	Confident	88.8	Confident	41 Å²	41	63.6 Å²	63.6	29%	0.287	32%	0.315	S	S	.	.			trans	-146.1	154.7	-164.1	71.2	0	0	0	0	113.1	Y28 D29	Y28-S32 WeakPolarHBondContact CA-O 3.35Å; D29-S32 PolarHBondContact N-O 3.44Å; D29-S32 PolarHBondContact OD1-N 3.38Å; D29-S32 PolarHBondContact OD1-OG 3.4Å; D29-S32 PolarHBondContact OD2-OG 2.94Å
33	T	88.9	Confident	88	Confident	56 Å²	56	69.1 Å²	69.1	34%	0.344	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	123.1	169.2	-62.9	0	0	0	0	107.8	H26 Y35	H26-T33 HydrophobicContact CB-CG2 3.99Å; H26-T33 VanDerWaalsContact CD2-CG2 3.41Å; H26-T33 WeakPolarHBondContact CD2-CG2 3.38Å; T33-Y35 HydrophobicContact CG2-CE2 4.05Å
34	K	90.2	Very high	87.6	Confident	122 Å²	122	72.2 Å²	72.2	53%	0.53	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.7	-178.5	-63.7	-179.7	-177.4	175.1	0	109.4	H26 Q27 H36	H26-K34 CarbonylContact C-O 3.47Å; H26-K34 WeakPolarHBondContact CA-O 3.32Å; H26-K34 WeakPolarHBondContact CB-O 3.33Å; Q27-K34 PolarHBondContact N-O 3.05Å; Q27-K34 PolarHBondContact O-N 2.83Å; K34-H36 PolarHBondContact O-CD2 2.96Å
35	Y	92.8	Very high	87.5	Confident	171 Å²	171	66.3 Å²	66.3	67%	0.671	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.6	-179.6	-64.8	-92.1	0	0	0	110.2	H26 T33	H26-Y35 HydrophobicContact CB-CD1 3.79Å; H26-Y35 HydrophobicContact CB-CE1 4.1Å; H26-Y35 HydrophobicContact CB-CG 4.22Å; T33-Y35 HydrophobicContact CG2-CE2 4.05Å
36	H	94.1	Very high	87.4	Confident	23 Å²	23	68.2 Å²	68.2	11%	0.106	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	165.8	-172.7	-70	-62.4	0	0	0	110	F25 K34 D48 N49	F25-H36 HydrophobicContact CD1-CB 3.85Å; F25-H36 HydrophobicContact CD2-CB 4.08Å; F25-H36 HydrophobicContact CE1-CB 3.36Å; F25-H36 HydrophobicContact CE2-CB 3.61Å; F25-H36 HydrophobicContact CG-CB 4.2Å; F25-H36 HydrophobicContact CZ-CB 3.24Å; F25-H36 AromaticContact CZ-CG 3.99Å; F25-H36 PolarHBondContact N-O 2.62Å; F25-H36 CarbonylContact O-C 3.53Å; F25-H36 PolarHBondContact O-N 2.97Å; K34-H36 PolarHBondContact O-CD2 2.96Å; H36-D48 VanDerWaalsContact CB-OD1 3.28Å; H36-D48 WeakPolarHBondContact CB-OD1 3.45Å; H36-D48 IonicContact CG-OD1 3.21Å; H36-D48 IonicContact ND1-OD1 2.9Å; H36-D48 PolarHBondContact ND1-OD1 3.44Å; H36-D48 VanDerWaalsContact ND1-OD1 3.12Å; H36-D48 IonicContact ND1-OD2 3.22Å; H36-N49 PolarHBondContact CE1-ND2 2.83Å; H36-N49 VanDerWaalsContact CE1-ND2 3.28Å; H36-N49 PolarHBondContact NE2-ND2 2.69Å
37	K	94.7	Very high	87.6	Confident	66 Å²	66	67.9 Å²	67.9	29%	0.287	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145	176	67	-168.8	175.6	-178.3	0	110.8	Y22 I23 W24 D48	Y22-K37 HydrophobicContact CD1-CD 3.85Å; Y22-K37 HydrophobicContact CD1-CG 4.27Å; Y22-K37 HydrophobicContact CE1-CD 4.09Å; Y22-K37 HydrophobicContact CG-CD 4.28Å; I23-K37 CarbonylContact O-C 3.48Å; I23-K37 WeakPolarHBondContact O-CA 3.46Å; W24-K37 HydrophobicContact CD2-CB 4.42Å; W24-K37 HydrophobicContact CE3-CB 3.95Å; W24-K37 HydrophobicContact CH2-CD 4.36Å; W24-K37 HydrophobicContact CZ3-CB 4.05Å; W24-K37 HydrophobicContact CZ3-CD 4.4Å; K37-D48 HydrophobicContact CG-CB 3.97Å; K37-D48 PolarHBondContact N-OD1 2.64Å; K37-D48 PolarHBondContact N-OD2 3.02Å; K37-D48 PolarHBondContact O-N 2.98Å
38	L	94.5	Very high	87.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.9	165.6	-53.6	170.3	0	0	0	107.3	I8 Y22 I23 F25 L45 P47 C54 L62 L64	I8-L38 HydrophobicContact CD1-CD1 4.32Å; Y22-L38 WeakPolarHBondContact CA-O 3.47Å; I23-L38 HydrophobicContact CB-CB 4.21Å; I23-L38 HydrophobicContact CB-CD1 4.36Å; I23-L38 HydrophobicContact CG2-CD1 4.31Å; I23-L38 PolarHBondContact N-O 3.29Å; I23-L38 PolarHBondContact O-N 3.04Å; F25-L38 HydrophobicContact CD1-CD1 4.44Å; F25-L38 HydrophobicContact CD1-CD2 4Å; F25-L38 HydrophobicContact CD1-CG 3.75Å; F25-L38 HydrophobicContact CE1-CD2 3.53Å; F25-L38 HydrophobicContact CE1-CG 3.77Å; F25-L38 HydrophobicContact CZ-CD2 4.26Å; L38-L45 HydrophobicContact CB-CB 4.37Å; L38-L45 HydrophobicContact CB-CD2 4.19Å; L38-L45 HydrophobicContact CD1-CD1 4.35Å; L38-P47 HydrophobicContact CD2-CB 3.94Å; L38-P47 HydrophobicContact CD2-CG 3.62Å; L38-C54 HydrophobicContact CD2-CB 3.71Å; L38-L62 HydrophobicContact CD1-CD1 4.24Å; L38-L64 HydrophobicContact CD1-CD2 4.29Å; L38-L64 HydrophobicContact CD2-CD2 4.17Å
39	E	93.5	Very high	88	Confident	48 Å²	48	70.9 Å²	70.9	22%	0.224	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	122.8	171.3	-176.3	172.2	-131.8	0	0	109.8	Y22 R41 V46	Y22-E39 HydrophobicContact CD1-CB 4.29Å; Y22-E39 HydrophobicContact CD1-CG 4.47Å; Y22-E39 HydrophobicContact CE1-CB 4.14Å; Y22-E39 HydrophobicContact CE1-CG 4.01Å; E39-R41 HydrophobicContact CG-CG 4.15Å; E39-R41 PolarHBondContact O-N 3.4Å; E39-R41 IonicContact OE2-CZ 2.77Å; E39-R41 IonicContact OE2-NE 3.75Å; E39-R41 PolarHBondContact OE2-NE 3.02Å; E39-R41 IonicContact OE2-NH2 2.7Å; E39-R41 PolarHBondContact OE2-NH2 2.83Å; E39-V46 PolarHBondContact N-O 2.92Å; E39-V46 PolarHBondContact O-N 3.29Å
40	N	91	Very high	88.2	Confident	32 Å²	32	77.7 Å²	77.7	17%	0.171	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	109.4	174.1	-177.6	1.7	0	0	0	110	E20 K21 G42 L45	E20-N40 WeakPolarHBondContact O-CB 3.39Å; E20-N40 PolarHBondContact O-ND2 3.46Å; K21-N40 PolarHBondContact O-N 3.26Å; N40-G42 PolarHBondContact OD1-N 3.47Å; N40-L45 HydrophobicContact CB-CD2 4.13Å
41	R	87.9	Confident	88.9	Confident	153 Å²	153	78.2 Å²	78.2	58%	0.577	41%	0.41	S	S	*	.			trans	-103.1	23.8	176.7	-61.8	-169.8	177.9	176.5	-0.4	112.6	E39 L43 S44 V46	E39-R41 HydrophobicContact CG-CG 4.15Å; E39-R41 PolarHBondContact O-N 3.4Å; E39-R41 IonicContact OE2-CZ 2.77Å; E39-R41 IonicContact OE2-NE 3.75Å; E39-R41 PolarHBondContact OE2-NE 3.02Å; E39-R41 IonicContact OE2-NH2 2.7Å; E39-R41 PolarHBondContact OE2-NH2 2.83Å; R41-L43 VanDerWaalsContact C-N 3.28Å; R41-L43 PolarHBondContact O-N 3.4Å; R41-S44 PolarHBondContact N-O 3.33Å; R41-V46 HydrophobicContact CG-CG2 4.34Å
42	G	79.6	Confident	89.5	Confident	64 Å²	64	72.4 Å²	72.4	66%	0.66	37%	0.374	S	S	*	.	S	Bend	trans	83	-59.2	178.6	0	0	0	0	0	113.2	N40	N40-G42 PolarHBondContact OD1-N 3.47Å
43	L	76	Confident	90	Very high	182 Å²	182	72.9 Å²	72.9	95%	0.953	38%	0.377	S	S	*	.	S	Bend	trans	-97.5	-16.9	179.7	-68.8	172.3	0	0	0	113.7	R41	R41-L43 VanDerWaalsContact C-N 3.28Å; R41-L43 PolarHBondContact O-N 3.4Å
44	S	84.9	Confident	90.2	Very high	64 Å²	64	70.8 Å²	70.8	45%	0.448	37%	0.365	S	S	.	.			trans	-143.9	153.3	-178.4	63	0	0	0	0	112	R41	R41-S44 PolarHBondContact N-O 3.33Å
45	L	90.8	Very high	90.2	Very high	15 Å²	15	69.1 Å²	69.1	8%	0.079	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.1	170.4	-73.4	172.4	0	0	0	108	L16 I23 L38 N40 C54 L62	L16-L45 HydrophobicContact CD2-CD1 4.23Å; L16-L45 HydrophobicContact CD2-CD2 3.89Å; L16-L45 HydrophobicContact CD2-CG 4.33Å; I23-L45 HydrophobicContact CD1-CD1 4.18Å; I23-L45 HydrophobicContact CD1-CD2 3.8Å; L38-L45 HydrophobicContact CB-CB 4.37Å; L38-L45 HydrophobicContact CB-CD2 4.19Å; L38-L45 HydrophobicContact CD1-CD1 4.35Å; N40-L45 HydrophobicContact CB-CD2 4.13Å; L45-C54 HydrophobicContact CB-CB 4.49Å; L45-L62 HydrophobicContact CD1-CD1 3.62Å
46	V	92.5	Very high	90	Very high	45 Å²	45	65.1 Å²	65.1	27%	0.273	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.3	-177.9	-177.9	0	0	0	0	109.4	E39 R41	E39-V46 PolarHBondContact N-O 2.92Å; E39-V46 PolarHBondContact O-N 3.29Å; R41-V46 HydrophobicContact CG-CG2 4.34Å
47	P	94.2	Very high	89.7	Confident	24 Å²	24	66.7 Å²	66.7	16%	0.156	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	144.4	172.9	-21.7	34.4	0	0	0	112	F25 L38 N49 V52 C54	F25-P47 HydrophobicContact CZ-CB 4.48Å; L38-P47 HydrophobicContact CD2-CB 3.94Å; L38-P47 HydrophobicContact CD2-CG 3.62Å; P47-N49 PolarHBondContact O-N 2.87Å; P47-V52 HydrophobicContact CB-CB 4.13Å; P47-V52 HydrophobicContact CB-CG1 4.24Å; P47-V52 HydrophobicContact CG-CB 4.47Å; P47-V52 HydrophobicContact CG-CG1 4.23Å; P47-V52 WeakPolarHBondContact CG-O 3.4Å; P47-C54 HydrophobicContact CG-CB 3.74Å
48	D	93.1	Very high	89.3	Confident	81 Å²	81	64.9 Å²	64.9	43%	0.433	36%	0.359	S	S	.	.	S	Bend	trans	-72.8	-16.3	171.7	67.9	-14.1	0	0	0	113.4	H36 K37	H36-D48 VanDerWaalsContact CB-OD1 3.28Å; H36-D48 WeakPolarHBondContact CB-OD1 3.45Å; H36-D48 IonicContact CG-OD1 3.21Å; H36-D48 IonicContact ND1-OD1 2.9Å; H36-D48 PolarHBondContact ND1-OD1 3.44Å; H36-D48 VanDerWaalsContact ND1-OD1 3.12Å; H36-D48 IonicContact ND1-OD2 3.22Å; K37-D48 HydrophobicContact CG-CB 3.97Å; K37-D48 PolarHBondContact N-OD1 2.64Å; K37-D48 PolarHBondContact N-OD2 3.02Å; K37-D48 PolarHBondContact O-N 2.98Å
49	N	89.4	Confident	88.9	Confident	34 Å²	34	70.4 Å²	70.4	18%	0.182	39%	0.394	C	S	.	.	S	Bend	trans	-104.2	120.5	177.3	-175.9	-11.4	0	0	0	110.5	H36 P47 N51 V52	H36-N49 PolarHBondContact CE1-ND2 2.83Å; H36-N49 VanDerWaalsContact CE1-ND2 3.28Å; H36-N49 PolarHBondContact NE2-ND2 2.69Å; P47-N49 PolarHBondContact O-N 2.87Å; N49-N51 PolarHBondContact O-N 2.87Å; N49-N51 PolarHBondContact OD1-N 2.91Å; N49-V52 HydrophobicContact CB-CB 4.44Å; N49-V52 HydrophobicContact CB-CG2 4.06Å; N49-V52 PolarHBondContact O-N 2.93Å; N49-V52 VanDerWaalsContact O-N 3.09Å
50	Q	86.5	Confident	88.8	Confident	193 Å²	193	71.6 Å²	71.6	90%	0.902	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20.3	-177.6	-65.8	-179	-10.8	0	0	114.1	V52	Q50-V52 VanDerWaalsContact C-N 3.26Å
51	N	89.4	Confident	88.8	Confident	97 Å²	97	70 Å²	70	52%	0.519	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-4.3	177.9	-63.7	-10.3	0	0	0	112.9	N49 S66	N49-N51 PolarHBondContact O-N 2.87Å; N49-N51 PolarHBondContact OD1-N 2.91Å; N51-S66 WeakPolarHBondContact O-CA 3.41Å
52	V	92.7	Very high	89	Confident	10 Å²	10	62.8 Å²	62.8	6%	0.061	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.3	179.9	-178.9	0	0	0	0	108.2	F6 F25 P47 N49 Q50 L64 S65	F6-V52 HydrophobicContact CE1-CG1 4.07Å; F6-V52 HydrophobicContact CE1-CG2 4.02Å; F6-V52 HydrophobicContact CZ-CG1 3.89Å; F6-V52 HydrophobicContact CZ-CG2 4.02Å; F25-V52 HydrophobicContact CE2-CG1 3.95Å; F25-V52 HydrophobicContact CE2-CG2 4.41Å; F25-V52 HydrophobicContact CZ-CB 4.41Å; F25-V52 HydrophobicContact CZ-CG1 3.86Å; F25-V52 HydrophobicContact CZ-CG2 4.48Å; P47-V52 HydrophobicContact CB-CB 4.13Å; P47-V52 HydrophobicContact CB-CG1 4.24Å; P47-V52 HydrophobicContact CG-CB 4.47Å; P47-V52 HydrophobicContact CG-CG1 4.23Å; P47-V52 WeakPolarHBondContact CG-O 3.4Å; N49-V52 HydrophobicContact CB-CB 4.44Å; N49-V52 HydrophobicContact CB-CG2 4.06Å; N49-V52 PolarHBondContact O-N 2.93Å; N49-V52 VanDerWaalsContact O-N 3.09Å; Q50-V52 VanDerWaalsContact C-N 3.26Å; V52-L64 HydrophobicContact CG1-CD2 4.45Å; V52-S65 CarbonylContact C-O 3.58Å; V52-S65 VanDerWaalsContact CA-O 3.31Å; V52-S65 WeakPolarHBondContact CA-O 3.32Å
53	S	92.8	Very high	89.6	Confident	50 Å²	50	61.1 Å²	61.1	35%	0.35	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	147.8	168.6	31.7	0	0	0	0	109.9	L64 S65	S53-L64 WeakPolarHBondContact O-CA 3.5Å; S53-S65 PolarHBondContact N-O 3.15Å; S53-S65 PolarHBondContact O-N 3.15Å; S53-S65 PolarHBondContact OG-O 2.78Å; S53-S65 PolarHBondContact OG-OG 3.14Å
54	C	93.4	Very high	90.4	Very high	12 Å²	12	52.4 Å²	52.4	8%	0.081	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	121.7	177.8	179.3	0	0	0	0	109.4	L38 L45 P47 E63 L64	L38-C54 HydrophobicContact CD2-CB 3.71Å; L45-C54 HydrophobicContact CB-CB 4.49Å; P47-C54 HydrophobicContact CG-CB 3.74Å; C54-E63 VanDerWaalsContact CA-O 3.32Å; C54-E63 WeakPolarHBondContact CA-O 3.16Å; C54-L64 HydrophobicContact CB-CD2 3.61Å
55	D	90	Very high	90.6	Very high	88 Å²	88	50.5 Å²	50.5	47%	0.471	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.6	179.5	-69.1	-47.5	0	0	0	110.7	V57 E63	D55-V57 PolarHBondContact O-N 3.08Å; D55-E63 HydrophobicContact CB-CB 4.42Å; D55-E63 PolarHBondContact N-O 3.44Å; D55-E63 PolarHBondContact O-N 3.04Å
56	L	89	Confident	90.6	Very high	86 Å²	86	50 Å²	50	45%	0.45	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	83.4	173.1	-169.7	69.2	0	0	0	108.8	W12 L16 S58 L62	W12-L56 HydrophobicContact CH2-CD1 4.44Å; W12-L56 HydrophobicContact CZ3-CD1 4.01Å; L16-L56 HydrophobicContact CD1-CD1 4.34Å; L56-S58 VanDerWaalsContact CD1-O 3.25Å; L56-S58 WeakPolarHBondContact CD1-O 3.32Å; L56-S58 WeakPolarHBondContact CG-O 3.27Å; L56-S58 PolarHBondContact O-N 3.07Å; L56-L62 HydrophobicContact CD1-CB 4.39Å
57	V	88.4	Confident	90.1	Very high	56 Å²	56	56 Å²	56	34%	0.339	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	-35.1	-177.7	-176.5	0	0	0	0	111.8	D55 L61 E63 F74 I483	D55-V57 PolarHBondContact O-N 3.08Å; V57-L61 HydrophobicContact CB-CB 4.33Å; V57-L61 HydrophobicContact CB-CD2 3.91Å; V57-L61 HydrophobicContact CB-CG 4.13Å; V57-L61 HydrophobicContact CG1-CD2 3.85Å; V57-L61 HydrophobicContact CG2-CD2 4.48Å; V57-L61 PolarHBondContact N-O 3.12Å; V57-E63 HydrophobicContact CG2-CB 3.9Å; V57-F74 HydrophobicContact CG2-CE1 4.29Å; V57-I483 HydrophobicContact CG1-CG2 3.73Å
58	S	86.9	Confident	89.3	Confident	29 Å²	29	61.2 Å²	61.2	20%	0.203	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	169.5	168.7	79.8	0	0	0	0	109.7	L56 K60 L61	L56-S58 VanDerWaalsContact CD1-O 3.25Å; L56-S58 WeakPolarHBondContact CD1-O 3.32Å; L56-S58 WeakPolarHBondContact CG-O 3.27Å; L56-S58 PolarHBondContact O-N 3.07Å; S58-K60 PolarHBondContact O-N 3.41Å; S58-K60 PolarHBondContact OG-N 2.77Å; S58-L61 PolarHBondContact N-O 3.48Å; S58-L61 PolarHBondContact O-N 3.24Å; S58-L61 WeakPolarHBondContact OG-CB 3.39Å; S58-L61 PolarHBondContact OG-N 2.79Å
59	P	86.1	Confident	88.5	Confident	115 Å²	115	58.7 Å²	58.7	75%	0.747	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-16.7	175.2	-26.3	35.5	0	0	0	114.9
60	K	90	Very high	88.1	Confident	73 Å²	73	63.4 Å²	63.4	32%	0.317	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	1.9	180	-57.7	-163.7	-177.5	-167.3	0	114.3	S58 Q76 C77 D79 L480	S58-K60 PolarHBondContact O-N 3.41Å; S58-K60 PolarHBondContact OG-N 2.77Å; K60-Q76 VanDerWaalsContact O-CA 3.26Å; K60-Q76 WeakPolarHBondContact O-CA 3.36Å; K60-C77 PolarHBondContact O-N 3.09Å; K60-D79 IonicContact NZ-OD1 3.85Å; K60-D79 PolarHBondContact NZ-OD1 2.82Å; K60-L480 HydrophobicContact CB-CD1 4.29Å
61	L	91.6	Very high	88	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.2	-175.3	-174.3	67.3	0	0	0	110.3	V57 S58 F74 F75 Q76 L439 L480	V57-L61 HydrophobicContact CB-CB 4.33Å; V57-L61 HydrophobicContact CB-CD2 3.91Å; V57-L61 HydrophobicContact CB-CG 4.13Å; V57-L61 HydrophobicContact CG1-CD2 3.85Å; V57-L61 HydrophobicContact CG2-CD2 4.48Å; V57-L61 PolarHBondContact N-O 3.12Å; S58-L61 PolarHBondContact N-O 3.48Å; S58-L61 PolarHBondContact O-N 3.24Å; S58-L61 WeakPolarHBondContact OG-CB 3.39Å; S58-L61 PolarHBondContact OG-N 2.79Å; L61-F74 HydrophobicContact CD1-CB 4.11Å; L61-F74 HydrophobicContact CD1-CD1 4.29Å; L61-F74 HydrophobicContact CD2-CD1 4.32Å; L61-F74 HydrophobicContact CG-CD1 4.31Å; L61-F75 WeakPolarHBondContact CA-O 3.49Å; L61-Q76 HydrophobicContact CD1-CB 4.1Å; L61-L439 HydrophobicContact CD1-CD1 3.86Å; L61-L480 HydrophobicContact CB-CD1 3.89Å; L61-L480 HydrophobicContact CD2-CB 4.08Å
62	L	91.9	Very high	87.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.4	178.2	-176	154.9	0	0	0	109.5	I8 W12 L38 L45 L56 L64 F74 F75	I8-L62 HydrophobicContact CD1-CD1 3.9Å; I8-L62 HydrophobicContact CD1-CD2 3.9Å; W12-L62 HydrophobicContact CD2-CD1 4.34Å; W12-L62 HydrophobicContact CE3-CB 4.3Å; W12-L62 HydrophobicContact CE3-CD1 3.8Å; W12-L62 HydrophobicContact CH2-CB 3.74Å; W12-L62 HydrophobicContact CZ2-CB 4.09Å; W12-L62 HydrophobicContact CZ3-CB 3.86Å; W12-L62 HydrophobicContact CZ3-CD1 4Å; L38-L62 HydrophobicContact CD1-CD1 4.24Å; L45-L62 HydrophobicContact CD1-CD1 3.62Å; L56-L62 HydrophobicContact CD1-CB 4.39Å; L62-L64 HydrophobicContact CD2-CD1 4.36Å; L62-L64 HydrophobicContact CD2-CD2 3.89Å; L62-L64 HydrophobicContact CD2-CG 3.61Å; L62-F74 CarbonylContact O-C 3.58Å; L62-F74 WeakPolarHBondContact O-CA 3.28Å; L62-F75 HydrophobicContact CD2-CD2 4Å; L62-F75 PolarHBondContact N-O 3.41Å; L62-F75 PolarHBondContact O-N 3.02Å
63	E	91.8	Very high	87.6	Confident	29 Å²	29	52.1 Å²	52.1	14%	0.136	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.8	174.5	-177.3	174.6	-175.1	0	0	109.4	C54 D55 V57 N72 F74	C54-E63 VanDerWaalsContact CA-O 3.32Å; C54-E63 WeakPolarHBondContact CA-O 3.16Å; D55-E63 HydrophobicContact CB-CB 4.42Å; D55-E63 PolarHBondContact N-O 3.44Å; D55-E63 PolarHBondContact O-N 3.04Å; V57-E63 HydrophobicContact CG2-CB 3.9Å; E63-N72 WeakPolarHBondContact CG-OD1 3.45Å; E63-N72 PolarHBondContact OE1-ND2 3.5Å; E63-N72 PolarHBondContact OE1-OD1 3.19Å; E63-N72 VanDerWaalsContact OE1-OD1 3.09Å; E63-F74 HydrophobicContact CB-CD1 3.86Å; E63-F74 HydrophobicContact CB-CE1 3.68Å; E63-F74 HydrophobicContact CB-CZ 4.34Å; E63-F74 VanDerWaalsContact CD-CE1 3.45Å; E63-F74 HydrophobicContact CG-CD1 4.07Å; E63-F74 HydrophobicContact CG-CE1 3.59Å; E63-F74 HydrophobicContact CG-CE2 4.28Å; E63-F74 HydrophobicContact CG-CZ 3.71Å; E63-F74 WeakPolarHBondContact OE1-CZ 3.49Å; E63-F74 WeakPolarHBondContact OE2-CE1 3.5Å
64	L	92.3	Very high	87.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126	166.9	-69	-179.1	0	0	0	109.4	F6 F25 L38 V52 S53 C54 L62 K73 F75	F6-L64 HydrophobicContact CB-CB 4.41Å; F6-L64 HydrophobicContact CB-CD1 4.06Å; F6-L64 HydrophobicContact CD1-CD1 4.33Å; F6-L64 HydrophobicContact CD2-CB 3.63Å; F6-L64 HydrophobicContact CE2-CB 3.95Å; F6-L64 HydrophobicContact CG-CB 3.98Å; F6-L64 HydrophobicContact CG-CD1 4.11Å; F25-L64 HydrophobicContact CB-CD1 4.21Å; F25-L64 HydrophobicContact CD2-CD1 3.89Å; F25-L64 HydrophobicContact CE2-CD1 4.44Å; F25-L64 HydrophobicContact CG-CD1 4.08Å; L38-L64 HydrophobicContact CD1-CD2 4.29Å; L38-L64 HydrophobicContact CD2-CD2 4.17Å; V52-L64 HydrophobicContact CG1-CD2 4.45Å; S53-L64 WeakPolarHBondContact O-CA 3.5Å; C54-L64 HydrophobicContact CB-CD2 3.61Å; L62-L64 HydrophobicContact CD2-CD1 4.36Å; L62-L64 HydrophobicContact CD2-CD2 3.89Å; L62-L64 HydrophobicContact CD2-CG 3.61Å; L64-K73 PolarHBondContact N-O 3.34Å; L64-K73 PolarHBondContact O-N 3.29Å; L64-F75 HydrophobicContact CB-CE2 4.17Å; L64-F75 HydrophobicContact CD1-CD2 4.46Å; L64-F75 HydrophobicContact CD1-CE2 3.78Å; L64-F75 HydrophobicContact CD1-CZ 4.48Å; L64-F75 HydrophobicContact CG-CD2 4.45Å; L64-F75 HydrophobicContact CG-CE2 4.03Å
65	S	90.9	Very high	87.5	Confident	23 Å²	23	49.3 Å²	49.3	16%	0.161	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.2	178.5	46.6	0	0	0	0	111.6	V52 S53 I71	V52-S65 CarbonylContact C-O 3.58Å; V52-S65 VanDerWaalsContact CA-O 3.31Å; V52-S65 WeakPolarHBondContact CA-O 3.32Å; S53-S65 PolarHBondContact N-O 3.15Å; S53-S65 PolarHBondContact O-N 3.15Å; S53-S65 PolarHBondContact OG-O 2.78Å; S53-S65 PolarHBondContact OG-OG 3.14Å; S65-I71 CarbonylContact C-O 3.56Å; S65-I71 WeakPolarHBondContact CA-O 3.49Å
66	S	89.8	Confident	87.7	Confident	6 Å²	6	45.2 Å²	45.2	4%	0.042	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	145	174.6	149.5	0	0	0	0	108.7	Q27 N51 N68 P69 V70 I71	Q27-S66 PolarHBondContact NE2-OG 3.19Å; N51-S66 WeakPolarHBondContact O-CA 3.41Å; S66-N68 PolarHBondContact OG-N 3.4Å; S66-P69 CarbonylContact C-O 3.52Å; S66-P69 PolarHBondContact OG-O 3.25Å; S66-V70 CarbonylContact O-C 3.55Å; S66-V70 WeakPolarHBondContact O-CA 3.37Å; S66-I71 PolarHBondContact N-O 2.84Å; S66-I71 PolarHBondContact O-N 2.7Å
67	E	82.3	Confident	87.9	Confident	169 Å²	169	41.4 Å²	41.4	79%	0.79	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	-28.7	178.8	-65	-172.7	167.8	0	0	113	P69 V70	E67-P69 VanDerWaalsContact C-C 3.44Å; E67-P69 CarbonylContact C-O 3.59Å; E67-P69 CarbonylContact O-C 3.51Å; E67-V70 VanDerWaalsContact O-CG2 3.28Å; E67-V70 WeakPolarHBondContact O-CG2 3.26Å; E67-V70 PolarHBondContact O-N 3.37Å
68	N	78	Confident	88.1	Confident	134 Å²	134	39.8 Å²	39.8	72%	0.717	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-138.8	93.1	-178.6	-165.4	-2.9	0	0	0	111.8	S66	S66-N68 PolarHBondContact OG-N 3.4Å
69	P	76.1	Confident	88.4	Confident	28 Å²	28	40.8 Å²	40.8	18%	0.182	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	cis	-74.9	157.9	2.2	5.6	10.7	0	0	0	112.2	K4 S66 E67 I71	K4-P69 HydrophobicContact CB-CG 4.27Å; K4-P69 HydrophobicContact CD-CB 3.67Å; K4-P69 HydrophobicContact CD-CG 3.27Å; K4-P69 HydrophobicContact CG-CG 4.36Å; S66-P69 CarbonylContact C-O 3.52Å; S66-P69 PolarHBondContact OG-O 3.25Å; E67-P69 VanDerWaalsContact C-C 3.44Å; E67-P69 CarbonylContact C-O 3.59Å; E67-P69 CarbonylContact O-C 3.51Å; P69-I71 HydrophobicContact CB-CD1 4.4Å; P69-I71 HydrophobicContact CB-CG1 4.34Å; P69-I71 HydrophobicContact CG-CD1 4.02Å; P69-I71 HydrophobicContact CG-CG1 4.5Å; P69-I71 PolarHBondContact O-N 2.89Å; P69-I71 VanDerWaalsContact O-N 3.09Å
70	V	80.6	Confident	88.6	Confident	133 Å²	133	37.1 Å²	37.1	81%	0.806	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	108.2	170.6	-176.5	0	0	0	0	109.1	S66 E67	S66-V70 CarbonylContact O-C 3.55Å; S66-V70 WeakPolarHBondContact O-CA 3.37Å; E67-V70 VanDerWaalsContact O-CG2 3.28Å; E67-V70 WeakPolarHBondContact O-CG2 3.26Å; E67-V70 PolarHBondContact O-N 3.37Å
71	I	83.4	Confident	88.6	Confident	17 Å²	17	35.8 Å²	35.8	9%	0.087	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.9	177.8	-61.7	165.2	0	0	0	106.5	K4 F6 Q27 S65 S66 P69	K4-I71 HydrophobicContact CB-CD1 3.97Å; K4-I71 HydrophobicContact CB-CG1 4.5Å; F6-I71 HydrophobicContact CD2-CB 4.34Å; F6-I71 HydrophobicContact CD2-CG2 3.55Å; F6-I71 HydrophobicContact CE2-CB 3.97Å; F6-I71 HydrophobicContact CE2-CG2 3.7Å; Q27-I71 HydrophobicContact CG-CD1 4.34Å; S65-I71 CarbonylContact C-O 3.56Å; S65-I71 WeakPolarHBondContact CA-O 3.49Å; S66-I71 PolarHBondContact N-O 2.84Å; S66-I71 PolarHBondContact O-N 2.7Å; P69-I71 HydrophobicContact CB-CD1 4.4Å; P69-I71 HydrophobicContact CB-CG1 4.34Å; P69-I71 HydrophobicContact CG-CD1 4.02Å; P69-I71 HydrophobicContact CG-CG1 4.5Å; P69-I71 PolarHBondContact O-N 2.89Å; P69-I71 VanDerWaalsContact O-N 3.09Å
72	N	85.8	Confident	88.5	Confident	37 Å²	37	37.5 Å²	37.5	20%	0.198	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.5	166.5	-168	-5.6	0	0	0	109.7	E63 F74 P436 I437	E63-N72 WeakPolarHBondContact CG-OD1 3.45Å; E63-N72 PolarHBondContact OE1-ND2 3.5Å; E63-N72 PolarHBondContact OE1-OD1 3.19Å; E63-N72 VanDerWaalsContact OE1-OD1 3.09Å; N72-F74 WeakPolarHBondContact OD1-CE2 2.97Å; N72-P436 VanDerWaalsContact O-O 3.12Å; N72-I437 HydrophobicContact CB-CG1 4.36Å
73	K	88.6	Confident	88.4	Confident	9 Å²	9	40.3 Å²	40.3	4%	0.039	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	136.9	-176.7	-166.7	168.2	177.7	-176.9	0	111.7	F6 L64 F75 E440	F6-K73 HydrophobicContact CB-CD 4.4Å; F6-K73 HydrophobicContact CD2-CB 4.44Å; F6-K73 WeakPolarHBondContact O-CD 3.35Å; F6-K73 PolarHBondContact O-NZ 3.27Å; L64-K73 PolarHBondContact N-O 3.34Å; L64-K73 PolarHBondContact O-N 3.29Å; K73-F75 HydrophobicContact CB-CE2 4.21Å; K73-F75 HydrophobicContact CB-CZ 4.36Å; K73-F75 HydrophobicContact CD-CE1 4.22Å; K73-F75 HydrophobicContact CD-CE2 4.39Å; K73-F75 HydrophobicContact CD-CZ 3.73Å; K73-F75 HydrophobicContact CG-CE1 4.41Å; K73-F75 HydrophobicContact CG-CE2 4.05Å; K73-F75 HydrophobicContact CG-CZ 3.85Å; K73-E440 WeakPolarHBondContact CE-OE2 3.17Å; K73-E440 IonicContact NZ-OE2 2.69Å; K73-E440 PolarHBondContact NZ-OE2 3.34Å
74	F	91.6	Very high	88.2	Confident	2 Å²	2	39.3 Å²	39.3	1%	0.009	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.7	-178.6	-65.1	-100.1	0	0	0	110.6	V57 L61 L62 E63 N72 I437 S438 L439 E440 T484	V57-F74 HydrophobicContact CG2-CE1 4.29Å; L61-F74 HydrophobicContact CD1-CB 4.11Å; L61-F74 HydrophobicContact CD1-CD1 4.29Å; L61-F74 HydrophobicContact CD2-CD1 4.32Å; L61-F74 HydrophobicContact CG-CD1 4.31Å; L62-F74 CarbonylContact O-C 3.58Å; L62-F74 WeakPolarHBondContact O-CA 3.28Å; E63-F74 HydrophobicContact CB-CD1 3.86Å; E63-F74 HydrophobicContact CB-CE1 3.68Å; E63-F74 HydrophobicContact CB-CZ 4.34Å; E63-F74 VanDerWaalsContact CD-CE1 3.45Å; E63-F74 HydrophobicContact CG-CD1 4.07Å; E63-F74 HydrophobicContact CG-CE1 3.59Å; E63-F74 HydrophobicContact CG-CE2 4.28Å; E63-F74 HydrophobicContact CG-CZ 3.71Å; E63-F74 WeakPolarHBondContact OE1-CZ 3.49Å; E63-F74 WeakPolarHBondContact OE2-CE1 3.5Å; N72-F74 WeakPolarHBondContact OD1-CE2 2.97Å; F74-I437 HydrophobicContact CD2-CG2 3.97Å; F74-I437 HydrophobicContact CE2-CG2 3.85Å; F74-S438 PolarHBondContact N-O 2.94Å; F74-S438 VanDerWaalsContact N-O 3.1Å; F74-L439 HydrophobicContact CB-CD1 3.7Å; F74-E440 PolarHBondContact O-N 3.47Å; F74-T484 HydrophobicContact CB-CG2 3.88Å; F74-T484 HydrophobicContact CD1-CG2 3.91Å; F74-T484 HydrophobicContact CD2-CG2 3.24Å; F74-T484 HydrophobicContact CE1-CG2 4.23Å; F74-T484 HydrophobicContact CE2-CG2 3.62Å; F74-T484 HydrophobicContact CG-CG2 3.39Å; F74-T484 HydrophobicContact CZ-CG2 4.1Å
75	F	92.8	Very high	87.5	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	117.9	178.6	-58.4	-86.4	0	0	0	108.6	F6 I8 W12 L61 L62 L64 K73 E440	F6-F75 HydrophobicContact CB-CE2 4.26Å; F6-F75 HydrophobicContact CB-CZ 3.93Å; I8-F75 HydrophobicContact CB-CD1 4.18Å; I8-F75 HydrophobicContact CB-CE1 4.13Å; I8-F75 HydrophobicContact CB-CE2 4.49Å; I8-F75 HydrophobicContact CB-CG 4.37Å; I8-F75 HydrophobicContact CB-CZ 4.28Å; I8-F75 HydrophobicContact CG2-CB 4.08Å; I8-F75 HydrophobicContact CG2-CD1 3.25Å; I8-F75 HydrophobicContact CG2-CD2 4.18Å; I8-F75 HydrophobicContact CG2-CE1 3.61Å; I8-F75 HydrophobicContact CG2-CE2 4.48Å; I8-F75 HydrophobicContact CG2-CG 3.56Å; I8-F75 HydrophobicContact CG2-CZ 4.2Å; W12-F75 WeakPolarHBondContact CZ2-O 3.33Å; L61-F75 WeakPolarHBondContact CA-O 3.49Å; L62-F75 HydrophobicContact CD2-CD2 4Å; L62-F75 PolarHBondContact N-O 3.41Å; L62-F75 PolarHBondContact O-N 3.02Å; L64-F75 HydrophobicContact CB-CE2 4.17Å; L64-F75 HydrophobicContact CD1-CD2 4.46Å; L64-F75 HydrophobicContact CD1-CE2 3.78Å; L64-F75 HydrophobicContact CD1-CZ 4.48Å; L64-F75 HydrophobicContact CG-CD2 4.45Å; L64-F75 HydrophobicContact CG-CE2 4.03Å; K73-F75 HydrophobicContact CB-CE2 4.21Å; K73-F75 HydrophobicContact CB-CZ 4.36Å; K73-F75 HydrophobicContact CD-CE1 4.22Å; K73-F75 HydrophobicContact CD-CE2 4.39Å; K73-F75 HydrophobicContact CD-CZ 3.73Å; K73-F75 HydrophobicContact CG-CE1 4.41Å; K73-F75 HydrophobicContact CG-CE2 4.05Å; K73-F75 HydrophobicContact CG-CZ 3.85Å; F75-E440 WeakPolarHBondContact CA-O 3.45Å; F75-E440 HydrophobicContact CD1-CB 3.74Å; F75-E440 HydrophobicContact CD1-CG 4.16Å; F75-E440 HydrophobicContact CE1-CB 3.95Å; F75-E440 HydrophobicContact CE1-CG 4.28Å
76	Q	93.8	Very high	86.2	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.1	176.3	174.2	173.5	-7.6	0	0	109.6	K60 L61 L439 E440 L441 Y476 K478	K60-Q76 VanDerWaalsContact O-CA 3.26Å; K60-Q76 WeakPolarHBondContact O-CA 3.36Å; L61-Q76 HydrophobicContact CD1-CB 4.1Å; Q76-L439 HydrophobicContact CB-CD1 3.82Å; Q76-E440 PolarHBondContact N-O 3.31Å; Q76-L441 HydrophobicContact CB-CD2 3.95Å; Q76-L441 HydrophobicContact CG-CD2 4.36Å; Q76-Y476 HydrophobicContact CG-CD1 4.07Å; Q76-Y476 HydrophobicContact CG-CE1 4.39Å; Q76-K478 PolarHBondContact NE2-O 3.06Å
77	C	93.1	Very high	84.7	Confident	7 Å²	7	45 Å²	45	5%	0.047	27%	0.268	C	S	.	.			trans	-82.4	154	173.4	75.7	0	0	0	0	111	W12 D13 K60	W12-C77 HydrophobicContact CH2-CB 4.45Å; W12-C77 HydrophobicContact CZ2-CB 3.83Å; D13-C77 HydrophobicContact CB-CB 3.52Å; K60-C77 PolarHBondContact O-N 3.09Å
78	P	93.4	Very high	83.6	Confident	22 Å²	22	38.1 Å²	38.1	14%	0.143	24%	0.237	C	C	.	.			trans	-63.7	150.7	176	25.4	-32.9	0	0	0	111.9	S81 N474 Y476	P78-S81 VanDerWaalsContact CG-OG 3.26Å; P78-S81 WeakPolarHBondContact CG-OG 3.36Å; P78-N474 HydrophobicContact CB-CB 4.13Å; P78-Y476 VanDerWaalsContact CA-CE1 3.44Å; P78-Y476 HydrophobicContact CB-CE1 3.98Å; P78-Y476 HydrophobicContact CB-CE2 4.4Å
79	D	92.2	Very high	82.3	Confident	50 Å²	50	37.9 Å²	37.9	27%	0.267	25%	0.246	S	C	.	.	S	Bend	trans	-73.4	-37.1	170.4	-70.9	-75	0	0	0	111.5	K60 Q475 Y476 I477	K60-D79 IonicContact NZ-OD1 3.85Å; K60-D79 PolarHBondContact NZ-OD1 2.82Å; D79-Q475 PolarHBondContact N-O 3.09Å; D79-Y476 WeakPolarHBondContact OD2-CA 3.34Å; D79-I477 HydrophobicContact CB-CB 4.24Å; D79-I477 HydrophobicContact CB-CD1 3.7Å; D79-I477 HydrophobicContact CB-CG1 3.73Å; D79-I477 WeakPolarHBondContact OD2-CB 3.29Å; D79-I477 PolarHBondContact OD2-N 3.32Å
80	S	90.8	Very high	81.4	Confident	37 Å²	37	42.6 Å²	42.6	26%	0.259	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.5	172.6	79.4	0	0	0	0	110.4	Q475	S80-Q475 PolarHBondContact N-O 2.96Å; S80-Q475 PolarHBondContact O-N 2.7Å; S80-Q475 WeakPolarHBondContact OG-CB 3.4Å; S80-Q475 PolarHBondContact OG-OE1 3.29Å
81	S	90.3	Very high	80.2	Confident	45 Å²	45	44 Å²	44	32%	0.315	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.6	172.6	-54.5	0	0	0	0	109.7	P78 V473 N474	P78-S81 VanDerWaalsContact CG-OG 3.26Å; P78-S81 WeakPolarHBondContact CG-OG 3.36Å; S81-V473 WeakPolarHBondContact CA-O 3.35Å; S81-N474 WeakPolarHBondContact CB-OD1 3.31Å; S81-N474 PolarHBondContact OG-OD1 3.43Å
82	F	88.3	Confident	79.2	Confident	36 Å²	36	48 Å²	48	16%	0.158	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	148.2	177.9	48.1	-100.4	0	0	0	111.9	I84 F108 W465 M472 V473	F82-I84 HydrophobicContact CD2-CG2 3.76Å; F82-I84 HydrophobicContact CE2-CG2 3.87Å; F82-F108 HydrophobicContact CD2-CZ 4.44Å; F82-F108 AromaticContact CE2-CE1 3.51Å; F82-F108 HydrophobicContact CE2-CE1 3.51Å; F82-F108 HydrophobicContact CE2-CE2 4.4Å; F82-F108 AromaticContact CE2-CZ 3.36Å; F82-F108 HydrophobicContact CE2-CZ 3.36Å; F82-F108 HydrophobicContact CZ-CD1 4.35Å; F82-F108 AromaticContact CZ-CE1 3.45Å; F82-F108 HydrophobicContact CZ-CE1 3.45Å; F82-F108 VanDerWaalsContact CZ-CE1 3.45Å; F82-F108 AromaticContact CZ-CZ 3.85Å; F82-F108 HydrophobicContact CZ-CZ 3.85Å; F82-W465 HydrophobicContact CE1-CH2 4.38Å; F82-W465 HydrophobicContact CE1-CZ3 4.03Å; F82-W465 HydrophobicContact CZ-CH2 4.21Å; F82-W465 AromaticContact CZ-CZ3 3.67Å; F82-W465 HydrophobicContact CZ-CZ3 3.67Å; F82-M472 WeakPolarHBondContact O-CE 3.33Å; F82-V473 HydrophobicContact CD2-CB 3.97Å; F82-V473 HydrophobicContact CD2-CG2 4.45Å; F82-V473 HydrophobicContact CE2-CB 3.57Å; F82-V473 HydrophobicContact CE2-CG1 3.78Å; F82-V473 HydrophobicContact CE2-CG2 4Å; F82-V473 HydrophobicContact CZ-CB 4.1Å; F82-V473 HydrophobicContact CZ-CG1 3.83Å; F82-V473 PolarHBondContact N-O 2.88Å; F82-V473 VanDerWaalsContact N-O 3.08Å; F82-V473 PolarHBondContact O-N 3.37Å
83	D	90	Very high	78.3	Confident	60 Å²	60	54.6 Å²	54.6	32%	0.321	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	105.5	-177.1	-175.5	-8.8	0	0	0	110.4	S85 S86 G471 M472	D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 WeakPolarHBondContact OD1-CA 3.49Å; D83-S85 WeakPolarHBondContact OD1-CB 3.09Å; D83-S85 PolarHBondContact OD1-N 2.78Å; D83-S85 PolarHBondContact OD1-OG 3.27Å; D83-S86 PolarHBondContact O-OG 3.28Å; D83-S86 PolarHBondContact OD1-N 3.34Å; D83-G471 WeakPolarHBondContact CA-O 3.16Å; D83-M472 VanDerWaalsContact CA-CE 3.4Å; D83-M472 HydrophobicContact CB-CE 3.46Å; D83-M472 VanDerWaalsContact CB-CE 3.46Å
84	I	88.1	Confident	78	Confident	7 Å²	7	55.5 Å²	55.5	4%	0.036	32%	0.317	C	S	.	.	S	Bend	trans	-80.3	-13.2	179.4	65.6	172.3	0	0	0	113.1	F82 V96 F108 A110 F112 Y120 G471 V473	F82-I84 HydrophobicContact CD2-CG2 3.76Å; F82-I84 HydrophobicContact CE2-CG2 3.87Å; I84-V96 HydrophobicContact CD1-CG2 4.04Å; I84-V96 HydrophobicContact CG1-CG2 4.35Å; I84-F108 HydrophobicContact CD1-CE2 4.26Å; I84-F108 HydrophobicContact CG2-CE2 4.01Å; I84-F108 HydrophobicContact CG2-CZ 3.83Å; I84-A110 HydrophobicContact CD1-CB 3.57Å; I84-F112 HydrophobicContact CD1-CE1 4.4Å; I84-F112 HydrophobicContact CD1-CZ 3.94Å; I84-F112 HydrophobicContact CG1-CE1 4.44Å; I84-F112 HydrophobicContact CG1-CZ 4.24Å; I84-Y120 HydrophobicContact CB-CE1 3.82Å; I84-Y120 HydrophobicContact CD1-CE2 4.35Å; I84-Y120 HydrophobicContact CG2-CD1 4.11Å; I84-Y120 HydrophobicContact CG2-CE1 3.8Å; I84-G471 WeakPolarHBondContact CG1-O 2.89Å; I84-G471 PolarHBondContact N-O 2.95Å; I84-V473 HydrophobicContact CD1-CG2 4.04Å; I84-V473 HydrophobicContact CG1-CG2 4.25Å; I84-V473 HydrophobicContact CG2-CG2 4.03Å
85	S	76.6	Confident	77.8	Confident	8 Å²	8	60 Å²	60	6%	0.056	34%	0.338	C	S	.	.	S	Bend	trans	-80.7	-25.6	175.3	77.9	0	0	0	0	112.7	D83 G87 I88 S470	D83-S85 VanDerWaalsContact C-N 3.32Å; D83-S85 WeakPolarHBondContact OD1-CA 3.49Å; D83-S85 WeakPolarHBondContact OD1-CB 3.09Å; D83-S85 PolarHBondContact OD1-N 2.78Å; D83-S85 PolarHBondContact OD1-OG 3.27Å; S85-G87 VanDerWaalsContact C-N 3.29Å; S85-G87 PolarHBondContact O-N 3.12Å; S85-I88 PolarHBondContact O-N 2.97Å; S85-S470 WeakPolarHBondContact CB-O 3.39Å; S85-S470 PolarHBondContact OG-O 2.8Å
86	S	65.5	Low	77.8	Confident	79 Å²	79	59.9 Å²	59.9	55%	0.552	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.6	-173.8	68.2	0	0	0	0	114	D83	D83-S86 PolarHBondContact O-OG 3.28Å; D83-S86 PolarHBondContact OD1-N 3.34Å
87	G	57.8	Low	77.8	Confident	62 Å²	62	60.9 Å²	60.9	64%	0.639	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-16.8	179.6	0	0	0	0	0	114.2	S85 S89	S85-G87 VanDerWaalsContact C-N 3.29Å; S85-G87 PolarHBondContact O-N 3.12Å; G87-S89 PolarHBondContact O-N 3.38Å; G87-S89 VanDerWaalsContact O-N 3.09Å
88	I	59.1	Low	77.9	Confident	24 Å²	24	61.3 Å²	61.3	12%	0.123	35%	0.347	C	S	.	.			trans	-81.9	95.7	-179.8	-53.6	175.4	0	0	0	107.5	S85 R90 F112	S85-I88 PolarHBondContact O-N 2.97Å; I88-R90 HydrophobicContact CG2-CB 3.76Å; I88-R90 HydrophobicContact CG2-CG 3.65Å; I88-R90 PolarHBondContact O-N 3.38Å; I88-F112 HydrophobicContact CD1-CD1 3.89Å; I88-F112 HydrophobicContact CD1-CE1 3.61Å; I88-F112 HydrophobicContact CD1-CE2 4.28Å; I88-F112 HydrophobicContact CD1-CG 4.34Å; I88-F112 HydrophobicContact CD1-CZ 3.83Å
89	S	50.8	Low	78	Confident	130 Å²	130	60.4 Å²	60.4	91%	0.909	34%	0.341	S	S	*	.			trans	-69.3	50.9	170.9	-179.6	0	0	0	0	111.8	G87	G87-S89 PolarHBondContact O-N 3.38Å; G87-S89 VanDerWaalsContact O-N 3.09Å
90	R	57.8	Low	78.2	Confident	126 Å²	126	59.2 Å²	59.2	48%	0.475	34%	0.335	S	S	.	.			trans	-114.3	136.3	173	-65.4	-178.3	178.7	-175.3	1.8	108.9	I88 P92	I88-R90 HydrophobicContact CG2-CB 3.76Å; I88-R90 HydrophobicContact CG2-CG 3.65Å; I88-R90 PolarHBondContact O-N 3.38Å; R90-P92 CarbonylContact C-O 3.54Å; R90-P92 CarbonylContact O-C 3.56Å
91	N	53.6	Low	78.5	Confident	163 Å²	163	57.9 Å²	57.9	87%	0.872	33%	0.325	S	S	*	.	S	Bend	trans	-119.8	119.6	174.1	-158.1	5.2	0	0	0	107.6
92	P	63.9	Low	78.7	Confident	100 Å²	100	55.8 Å²	55.8	65%	0.649	31%	0.311	S	S	*	.	S	Bend	cis	-71.9	158.7	2.6	30.4	-34.8	0	0	0	114.1	R90	R90-P92 CarbonylContact C-O 3.54Å; R90-P92 CarbonylContact O-C 3.56Å
93	R	66.2	Low	78.7	Confident	176 Å²	176	57.5 Å²	57.5	66%	0.664	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-60.1	138	171.8	-73.8	-174.5	-179	-178.1	-1.2	109.8
94	L	82.1	Confident	78.7	Confident	28 Å²	28	58 Å²	58	15%	0.147	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-90.1	138.8	179	-53.8	177.9	0	0	0	109.5	F112 T113	L94-F112 HydrophobicContact CB-CB 4.03Å; L94-F112 HydrophobicContact CB-CD1 4.33Å; L94-F112 HydrophobicContact CD1-CB 4.42Å; L94-T113 WeakPolarHBondContact CA-OG1 3.19Å; L94-T113 WeakPolarHBondContact CB-O 3.21Å; L94-T113 VanDerWaalsContact CD1-O 3.29Å; L94-T113 WeakPolarHBondContact CD1-O 3.2Å; L94-T113 VanDerWaalsContact CD2-O 3.26Å; L94-T113 WeakPolarHBondContact CD2-O 3.28Å; L94-T113 WeakPolarHBondContact CG-O 3.02Å
95	H	88.2	Confident	78.9	Confident	97 Å²	97	58.3 Å²	58.3	45%	0.449	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-86.5	144.5	175.3	-69.2	-74.1	0	0	0	110.5	S97 F112 T113 R469	H95-S97 PolarHBondContact O-N 2.85Å; H95-F112 CarbonylContact O-C 3.56Å; H95-F112 VanDerWaalsContact O-CA 3.25Å; H95-F112 WeakPolarHBondContact O-CA 3.36Å; H95-T113 HydrophobicContact CB-CG2 3.94Å; H95-T113 PolarHBondContact N-OG1 2.86Å; H95-T113 PolarHBondContact O-N 2.88Å; H95-R469 CarbonylContact C-O 3.57Å; H95-R469 VanDerWaalsContact CA-O 3.23Å; H95-R469 WeakPolarHBondContact CA-O 3.45Å; H95-R469 WeakPolarHBondContact CB-O 3.4Å; H95-R469 PolarHBondContact ND1-O 3.37Å
96	V	92.6	Very high	79.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128	169	-175.7	0	0	0	0	108.7	I84 F99 A110 S111 F112 C450 R469	I84-V96 HydrophobicContact CD1-CG2 4.04Å; I84-V96 HydrophobicContact CG1-CG2 4.35Å; V96-F99 HydrophobicContact CG1-CB 4.4Å; V96-A110 HydrophobicContact CG1-CB 4.33Å; V96-S111 WeakPolarHBondContact CA-O 3.13Å; V96-F112 HydrophobicContact CG2-CD1 4.01Å; V96-F112 HydrophobicContact CG2-CE1 3.65Å; V96-F112 HydrophobicContact CG2-CZ 4.37Å; V96-C450 VanDerWaalsContact CG1-SG 3.51Å; V96-R469 PolarHBondContact N-O 3.3Å
97	S	93.1	Very high	81.1	Confident	21 Å²	21	61.4 Å²	61.4	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	-39.6	178.4	47.7	0	0	0	0	112.1	H95 S111 V138	H95-S97 PolarHBondContact O-N 2.85Å; S97-S111 PolarHBondContact N-O 2.93Å; S97-S111 VanDerWaalsContact OG-C 3.29Å; S97-S111 PolarHBondContact OG-O 3Å; S97-S111 VanDerWaalsContact OG-O 3.1Å; S97-S111 PolarHBondContact OG-OG 3.09Å; S97-S111 VanDerWaalsContact OG-OG 3.07Å; S97-V138 VanDerWaalsContact CB-O 3.23Å; S97-V138 WeakPolarHBondContact CB-O 3.09Å; S97-V138 PolarHBondContact OG-O 3.37Å
98	S	95	Very high	82.9	Confident	16 Å²	16	58.5 Å²	58.5	11%	0.112	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	152.1	176.8	-175.6	0	0	0	0	110.7	A110 S111 Y139 C141	S98-A110 WeakPolarHBondContact O-CA 3.27Å; S98-S111 VanDerWaalsContact CB-OG 3.31Å; S98-S111 WeakPolarHBondContact CB-OG 3.38Å; S98-S111 PolarHBondContact N-OG 3.44Å; S98-S111 PolarHBondContact O-N 3.06Å; S98-S111 PolarHBondContact O-OG 2.75Å; S98-Y139 WeakPolarHBondContact CB-O 3.29Å; S98-C141 VanDerWaalsContact C-SG 3.52Å; S98-C141 PolarHBondContact O-SG 3.17Å; S98-C141 PolarHBondContact OG-N 2.92Å
99	F	95.9	Very high	84.7	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.018	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	141	-178.4	164.7	-79.9	0	0	0	109.7	V96 V101 F108 I109 A110 W465 A467 V473	V96-F99 HydrophobicContact CG1-CB 4.4Å; F99-V101 HydrophobicContact CD1-CG2 4.45Å; F99-V101 HydrophobicContact CE1-CG2 3.4Å; F99-V101 HydrophobicContact CZ-CG2 3.49Å; F99-V101 VanDerWaalsContact CZ-CG2 3.49Å; F99-F108 AromaticContact CD2-CD2 3.83Å; F99-F108 HydrophobicContact CD2-CD2 3.83Å; F99-F108 HydrophobicContact CD2-CE2 4.42Å; F99-F108 HydrophobicContact CE2-CB 3.88Å; F99-F108 AromaticContact CE2-CD2 3.26Å; F99-F108 HydrophobicContact CE2-CD2 3.26Å; F99-F108 AromaticContact CE2-CE2 3.87Å; F99-F108 HydrophobicContact CE2-CE2 3.87Å; F99-F108 AromaticContact CE2-CG 3.65Å; F99-F108 HydrophobicContact CE2-CG 3.65Å; F99-F108 HydrophobicContact CZ-CB 4Å; F99-F108 HydrophobicContact CZ-CD2 4.18Å; F99-F108 HydrophobicContact CZ-CG 4.12Å; F99-I109 WeakPolarHBondContact CA-O 3.49Å; F99-A110 HydrophobicContact CD2-CB 4.46Å; F99-W465 HydrophobicContact CE1-CB 4.06Å; F99-W465 HydrophobicContact CZ-CB 4.31Å; F99-W465 HydrophobicContact CZ-CE3 4.2Å; F99-A467 HydrophobicContact CB-CB 3.75Å; F99-A467 HydrophobicContact CD1-CB 3.79Å; F99-A467 HydrophobicContact CD2-CB 3.66Å; F99-A467 HydrophobicContact CE1-CB 4.26Å; F99-A467 HydrophobicContact CE2-CB 4.13Å; F99-A467 HydrophobicContact CG-CB 3.46Å; F99-A467 VanDerWaalsContact CG-CB 3.46Å; F99-A467 HydrophobicContact CZ-CB 4.42Å; F99-V473 HydrophobicContact CD2-CG2 4.36Å; F99-V473 HydrophobicContact CE2-CG1 3.87Å; F99-V473 HydrophobicContact CE2-CG2 3.87Å; F99-V473 HydrophobicContact CZ-CG1 3.86Å
100	D	96.9	Very high	86.9	Confident	24 Å²	24	51.1 Å²	51.1	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	156	174.1	-167.4	25.9	0	0	0	111.5	F108 I109 R142 F143 S453	D100-F108 CarbonylContact O-C 3.4Å; D100-F108 VanDerWaalsContact O-CA 3.28Å; D100-F108 WeakPolarHBondContact O-CA 3.42Å; D100-F108 WeakPolarHBondContact O-CB 3.42Å; D100-I109 HydrophobicContact CB-CD1 4.48Å; D100-I109 HydrophobicContact CB-CG1 4.14Å; D100-I109 PolarHBondContact N-O 2.92Å; D100-I109 PolarHBondContact O-N 2.86Å; D100-R142 WeakPolarHBondContact OD2-CA 3.25Å; D100-F143 HydrophobicContact CB-CD2 4.35Å; D100-F143 WeakPolarHBondContact O-CE2 3.21Å; D100-F143 PolarHBondContact OD2-N 2.79Å; D100-S453 PolarHBondContact OD1-OG 3.39Å
101	V	96.3	Very high	88.6	Confident	10 Å²	10	45.1 Å²	45.1	6%	0.061	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.8	-177.4	-172.8	0	0	0	0	109.3	F99 F108 S453 V455 W465	F99-V101 HydrophobicContact CD1-CG2 4.45Å; F99-V101 HydrophobicContact CE1-CG2 3.4Å; F99-V101 HydrophobicContact CZ-CG2 3.49Å; F99-V101 VanDerWaalsContact CZ-CG2 3.49Å; V101-F108 HydrophobicContact CB-CB 4.39Å; V101-F108 HydrophobicContact CG1-CB 4.44Å; V101-F108 HydrophobicContact CG2-CB 3.92Å; V101-S453 PolarHBondContact N-OG 2.97Å; V101-V455 HydrophobicContact CB-CG2 4.27Å; V101-V455 HydrophobicContact CG1-CG2 3.7Å; V101-W465 HydrophobicContact CG2-CB 3.76Å; V101-W465 HydrophobicContact CG2-CD2 4.05Å; V101-W465 HydrophobicContact CG2-CG 3.73Å
102	S	94.6	Very high	90.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	21%	0.205	C	C	.	.			trans	-60.1	152.7	174.4	59	0	0	0	0	111.7	S104 G105 H107 F143	S102-S104 PolarHBondContact O-N 3.09Å; S102-S104 VanDerWaalsContact O-N 3.16Å; S102-S104 PolarHBondContact OG-OG 3.21Å; S102-G105 WeakPolarHBondContact O-CA 3.38Å; S102-G105 PolarHBondContact O-N 2.79Å; S102-H107 WeakPolarHBondContact CB-O 3.34Å; S102-H107 PolarHBondContact N-O 2.83Å; S102-H107 PolarHBondContact OG-N 2.79Å; S102-H107 VanDerWaalsContact OG-N 3.13Å; S102-H107 PolarHBondContact OG-O 3.1Å; S102-F143 VanDerWaalsContact N-CD2 3.35Å; S102-F143 VanDerWaalsContact N-CE2 3.35Å
103	A	89.4	Confident	91.5	Very high	72 Å²	72	34.7 Å²	34.7	60%	0.595	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.3	179	0	0	0	0	0	113.5	G105	A103-G105 VanDerWaalsContact C-N 3.29Å
104	S	89	Confident	92.3	Very high	70 Å²	70	28 Å²	28	49%	0.49	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-18.8	174	62.5	0	0	0	0	113.3	S102 E106	S102-S104 PolarHBondContact O-N 3.09Å; S102-S104 VanDerWaalsContact O-N 3.16Å; S102-S104 PolarHBondContact OG-OG 3.21Å; S104-E106 PolarHBondContact O-N 2.89Å; S104-E106 PolarHBondContact OG-N 2.87Å
105	G	91.6	Very high	92.5	Very high	13 Å²	13	28.4 Å²	28.4	13%	0.134	18%	0.178	C	C	.	.	S	Bend	trans	72.8	7.6	-172.9	0	0	0	0	0	114.3	S102 A103 A122	S102-G105 WeakPolarHBondContact O-CA 3.38Å; S102-G105 PolarHBondContact O-N 2.79Å; A103-G105 VanDerWaalsContact C-N 3.29Å; G105-A122 WeakPolarHBondContact O-CB 3.43Å
106	E	93.1	Very high	92.5	Very high	122 Å²	122	24.2 Å²	24.2	57%	0.57	16%	0.16	S	C	*	.	S	Bend	trans	-87.2	-25	-176.5	-63.9	-177.4	145.4	0	0	112.9	S104 A122	S104-E106 PolarHBondContact O-N 2.89Å; S104-E106 PolarHBondContact OG-N 2.87Å; E106-A122 VanDerWaalsContact C-CB 3.42Å; E106-A122 WeakPolarHBondContact O-CB 3.33Å; E106-A122 PolarHBondContact O-N 2.7Å
107	H	95.6	Very high	92.6	Very high	31 Å²	31	24.2 Å²	24.2	14%	0.144	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.3	177.8	-52	100.4	0	0	0	110.8	S102 L119 Y120 R128 F143	S102-H107 WeakPolarHBondContact CB-O 3.34Å; S102-H107 PolarHBondContact N-O 2.83Å; S102-H107 PolarHBondContact OG-N 2.79Å; S102-H107 VanDerWaalsContact OG-N 3.13Å; S102-H107 PolarHBondContact OG-O 3.1Å; H107-L119 HydrophobicContact CB-CD1 3.85Å; H107-Y120 VanDerWaalsContact CA-O 3.27Å; H107-Y120 WeakPolarHBondContact CA-O 3.28Å; H107-Y120 WeakPolarHBondContact CB-O 3.15Å; H107-R128 PolarHBondContact NE2-NH1 2.84Å; H107-F143 HydrophobicContact CB-CE1 4.42Å; H107-F143 HydrophobicContact CB-CZ 3.98Å
108	F	96.8	Very high	92.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	156.7	166.2	67.7	-94.5	0	0	0	109.8	F82 I84 F99 D100 V101 Y120 A122 W465	F82-F108 HydrophobicContact CD2-CZ 4.44Å; F82-F108 AromaticContact CE2-CE1 3.51Å; F82-F108 HydrophobicContact CE2-CE1 3.51Å; F82-F108 HydrophobicContact CE2-CE2 4.4Å; F82-F108 AromaticContact CE2-CZ 3.36Å; F82-F108 HydrophobicContact CE2-CZ 3.36Å; F82-F108 HydrophobicContact CZ-CD1 4.35Å; F82-F108 AromaticContact CZ-CE1 3.45Å; F82-F108 HydrophobicContact CZ-CE1 3.45Å; F82-F108 VanDerWaalsContact CZ-CE1 3.45Å; F82-F108 AromaticContact CZ-CZ 3.85Å; F82-F108 HydrophobicContact CZ-CZ 3.85Å; I84-F108 HydrophobicContact CD1-CE2 4.26Å; I84-F108 HydrophobicContact CG2-CE2 4.01Å; I84-F108 HydrophobicContact CG2-CZ 3.83Å; F99-F108 AromaticContact CD2-CD2 3.83Å; F99-F108 HydrophobicContact CD2-CD2 3.83Å; F99-F108 HydrophobicContact CD2-CE2 4.42Å; F99-F108 HydrophobicContact CE2-CB 3.88Å; F99-F108 AromaticContact CE2-CD2 3.26Å; F99-F108 HydrophobicContact CE2-CD2 3.26Å; F99-F108 AromaticContact CE2-CE2 3.87Å; F99-F108 HydrophobicContact CE2-CE2 3.87Å; F99-F108 AromaticContact CE2-CG 3.65Å; F99-F108 HydrophobicContact CE2-CG 3.65Å; F99-F108 HydrophobicContact CZ-CB 4Å; F99-F108 HydrophobicContact CZ-CD2 4.18Å; F99-F108 HydrophobicContact CZ-CG 4.12Å; D100-F108 CarbonylContact O-C 3.4Å; D100-F108 VanDerWaalsContact O-CA 3.28Å; D100-F108 WeakPolarHBondContact O-CA 3.42Å; D100-F108 WeakPolarHBondContact O-CB 3.42Å; V101-F108 HydrophobicContact CB-CB 4.39Å; V101-F108 HydrophobicContact CG1-CB 4.44Å; V101-F108 HydrophobicContact CG2-CB 3.92Å; F108-Y120 AromaticContact CD2-CD2 3.95Å; F108-Y120 HydrophobicContact CD2-CD2 3.95Å; F108-Y120 HydrophobicContact CD2-CG 4.08Å; F108-Y120 HydrophobicContact CE1-CG 4.19Å; F108-Y120 HydrophobicContact CE2-CD1 4.01Å; F108-Y120 AromaticContact CE2-CD2 3.37Å; F108-Y120 HydrophobicContact CE2-CD2 3.37Å; F108-Y120 HydrophobicContact CE2-CE2 4.16Å; F108-Y120 AromaticContact CE2-CG 3.29Å; F108-Y120 HydrophobicContact CE2-CG 3.29Å; F108-Y120 AromaticContact CZ-CD1 3.75Å; F108-Y120 HydrophobicContact CZ-CD1 3.75Å; F108-Y120 AromaticContact CZ-CD2 3.95Å; F108-Y120 HydrophobicContact CZ-CD2 3.95Å; F108-Y120 AromaticContact CZ-CG 3.34Å; F108-Y120 HydrophobicContact CZ-CG 3.34Å; F108-Y120 PolarHBondContact N-O 2.82Å; F108-Y120 PolarHBondContact O-N 3.35Å; F108-A122 HydrophobicContact CD1-CB 3.99Å; F108-W465 HydrophobicContact CD1-CZ3 4.48Å
109	I	97	Very high	92.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.5	174.3	57.3	-177.9	0	0	0	108.9	F99 D100 E118 L119 C141 F143 A150	F99-I109 WeakPolarHBondContact CA-O 3.49Å; D100-I109 HydrophobicContact CB-CD1 4.48Å; D100-I109 HydrophobicContact CB-CG1 4.14Å; D100-I109 PolarHBondContact N-O 2.92Å; D100-I109 PolarHBondContact O-N 2.86Å; I109-E118 VanDerWaalsContact CA-O 3.32Å; I109-E118 WeakPolarHBondContact CA-O 3.2Å; I109-L119 HydrophobicContact CG2-CB 4.36Å; I109-L119 HydrophobicContact CG2-CD1 3.57Å; I109-C141 HydrophobicContact CD1-CB 3.83Å; I109-C141 HydrophobicContact CG1-CB 4.23Å; I109-F143 HydrophobicContact CB-CE2 4.06Å; I109-F143 HydrophobicContact CB-CZ 4.41Å; I109-F143 HydrophobicContact CD1-CD2 3.95Å; I109-F143 HydrophobicContact CD1-CE2 4.08Å; I109-F143 HydrophobicContact CD1-CG 4.48Å; I109-F143 HydrophobicContact CG1-CD2 3.9Å; I109-F143 HydrophobicContact CG1-CE2 3.63Å; I109-F143 HydrophobicContact CG1-CZ 4.39Å; I109-F143 HydrophobicContact CG2-CE1 4.31Å; I109-F143 HydrophobicContact CG2-CE2 3.75Å; I109-F143 HydrophobicContact CG2-CZ 3.61Å; I109-A150 HydrophobicContact CD1-CB 3.86Å
110	A	95.9	Very high	92.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.5	172.4	0	0	0	0	0	109.3	I84 V96 S98 F99 F112 V117 E118 Y120	I84-A110 HydrophobicContact CD1-CB 3.57Å; V96-A110 HydrophobicContact CG1-CB 4.33Å; S98-A110 WeakPolarHBondContact O-CA 3.27Å; F99-A110 HydrophobicContact CD2-CB 4.46Å; A110-F112 HydrophobicContact CB-CE2 3.96Å; A110-F112 HydrophobicContact CB-CZ 4.05Å; A110-V117 WeakPolarHBondContact O-CA 3.22Å; A110-E118 PolarHBondContact N-O 2.89Å; A110-E118 PolarHBondContact O-N 3.31Å; A110-Y120 HydrophobicContact CB-CE2 4.15Å
111	S	94.4	Very high	92.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	147.6	169.6	49.9	0	0	0	0	109.8	V96 S97 S98	V96-S111 WeakPolarHBondContact CA-O 3.13Å; S97-S111 PolarHBondContact N-O 2.93Å; S97-S111 VanDerWaalsContact OG-C 3.29Å; S97-S111 PolarHBondContact OG-O 3Å; S97-S111 VanDerWaalsContact OG-O 3.1Å; S97-S111 PolarHBondContact OG-OG 3.09Å; S97-S111 VanDerWaalsContact OG-OG 3.07Å; S98-S111 VanDerWaalsContact CB-OG 3.31Å; S98-S111 WeakPolarHBondContact CB-OG 3.38Å; S98-S111 PolarHBondContact N-OG 3.44Å; S98-S111 PolarHBondContact O-N 3.06Å; S98-S111 PolarHBondContact O-OG 2.75Å
112	F	91.3	Very high	92.5	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	154.7	-174.6	-60.7	-93.9	0	0	0	111	I84 I88 L94 H95 V96 A110 G114 S116 E118 Y120	I84-F112 HydrophobicContact CD1-CE1 4.4Å; I84-F112 HydrophobicContact CD1-CZ 3.94Å; I84-F112 HydrophobicContact CG1-CE1 4.44Å; I84-F112 HydrophobicContact CG1-CZ 4.24Å; I88-F112 HydrophobicContact CD1-CD1 3.89Å; I88-F112 HydrophobicContact CD1-CE1 3.61Å; I88-F112 HydrophobicContact CD1-CE2 4.28Å; I88-F112 HydrophobicContact CD1-CG 4.34Å; I88-F112 HydrophobicContact CD1-CZ 3.83Å; L94-F112 HydrophobicContact CB-CB 4.03Å; L94-F112 HydrophobicContact CB-CD1 4.33Å; L94-F112 HydrophobicContact CD1-CB 4.42Å; H95-F112 CarbonylContact O-C 3.56Å; H95-F112 VanDerWaalsContact O-CA 3.25Å; H95-F112 WeakPolarHBondContact O-CA 3.36Å; V96-F112 HydrophobicContact CG2-CD1 4.01Å; V96-F112 HydrophobicContact CG2-CE1 3.65Å; V96-F112 HydrophobicContact CG2-CZ 4.37Å; A110-F112 HydrophobicContact CB-CE2 3.96Å; A110-F112 HydrophobicContact CB-CZ 4.05Å; F112-G114 PolarHBondContact O-N 3.24Å; F112-S116 PolarHBondContact N-O 3.3Å; F112-E118 HydrophobicContact CE2-CB 4.21Å; F112-E118 HydrophobicContact CE2-CG 4.31Å; F112-Y120 HydrophobicContact CE2-CE2 4.37Å; F112-Y120 HydrophobicContact CZ-CE2 4.39Å; F112-Y120 WeakPolarHBondContact CZ-OH 3.42Å
113	T	86.4	Confident	92.2	Very high	44 Å²	44	31.6 Å²	31.6	27%	0.27	19%	0.19	S	C	.	.	S	Bend	trans	-55.5	137	162.7	56.3	0	0	0	0	109	L94 H95	L94-T113 WeakPolarHBondContact CA-OG1 3.19Å; L94-T113 WeakPolarHBondContact CB-O 3.21Å; L94-T113 VanDerWaalsContact CD1-O 3.29Å; L94-T113 WeakPolarHBondContact CD1-O 3.2Å; L94-T113 VanDerWaalsContact CD2-O 3.26Å; L94-T113 WeakPolarHBondContact CD2-O 3.28Å; L94-T113 WeakPolarHBondContact CG-O 3.02Å; H95-T113 HydrophobicContact CB-CG2 3.94Å; H95-T113 PolarHBondContact N-OG1 2.86Å; H95-T113 PolarHBondContact O-N 2.88Å
114	G	82.4	Confident	92.2	Very high	36 Å²	36	31.8 Å²	31.8	37%	0.371	18%	0.184	S	C	.	.	S	Bend	trans	86.5	34.6	-174.9	0	0	0	0	0	114.5	F112 S116 D137	F112-G114 PolarHBondContact O-N 3.24Å; G114-S116 PolarHBondContact O-N 2.91Å; G114-D137 PolarHBondContact N-OD1 3.48Å
115	S	86.2	Confident	92.1	Very high	36 Å²	36	29.2 Å²	29.2	25%	0.252	17%	0.169	S	C	.	.	S	Bend	trans	62.7	4	167.3	77.9	0	0	0	0	118.8	H134 G136	S115-H134 VanDerWaalsContact CB-O 3.26Å; S115-H134 WeakPolarHBondContact CB-O 3.37Å; S115-H134 PolarHBondContact OG-O 2.87Å; S115-G136 VanDerWaalsContact CA-O 3.3Å; S115-G136 WeakPolarHBondContact CA-O 3.38Å; S115-G136 WeakPolarHBondContact CB-O 3.31Å
116	S	88.8	Confident	92.1	Very high	9 Å²	9	33.5 Å²	33.5	6%	0.063	19%	0.188	C	C	.	.			trans	-78.4	138.6	176.9	-161.2	0	0	0	0	111.5	F112 G114 E118	F112-S116 PolarHBondContact N-O 3.3Å; G114-S116 PolarHBondContact O-N 2.91Å; S116-E118 PolarHBondContact OG-OE1 3.37Å
117	V	95.1	Very high	92	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	132	166.2	-173.4	0	0	0	0	107.7	A110 L131 V138 C141 T152	A110-V117 WeakPolarHBondContact O-CA 3.22Å; V117-L131 HydrophobicContact CB-CB 4.15Å; V117-L131 HydrophobicContact CG1-CD1 4.07Å; V117-L131 WeakPolarHBondContact O-CB 3.45Å; V117-L131 PolarHBondContact O-N 3.28Å; V117-V138 HydrophobicContact CG2-CB 3.99Å; V117-V138 HydrophobicContact CG2-CG1 3.86Å; V117-V138 HydrophobicContact CG2-CG2 3.7Å; V117-C141 HydrophobicContact CG1-CB 4.5Å; V117-T152 HydrophobicContact CB-CG2 4.42Å; V117-T152 HydrophobicContact CG1-CG2 3.86Å; V117-T152 HydrophobicContact CG2-CG2 4.05Å
118	E	95.2	Very high	92	Very high	14 Å²	14	36 Å²	36	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.7	-173.9	-68.2	168.7	-172.1	0	0	110.6	I109 A110 F112 S116 Y120 I127 R129	I109-E118 VanDerWaalsContact CA-O 3.32Å; I109-E118 WeakPolarHBondContact CA-O 3.2Å; A110-E118 PolarHBondContact N-O 2.89Å; A110-E118 PolarHBondContact O-N 3.31Å; F112-E118 HydrophobicContact CE2-CB 4.21Å; F112-E118 HydrophobicContact CE2-CG 4.31Å; S116-E118 PolarHBondContact OG-OE1 3.37Å; E118-Y120 HydrophobicContact CB-CD2 4.19Å; E118-Y120 HydrophobicContact CB-CE2 3.47Å; E118-Y120 VanDerWaalsContact CB-CE2 3.47Å; E118-Y120 VanDerWaalsContact OE2-CZ 3.3Å; E118-Y120 PolarHBondContact OE2-OH 3.3Å; E118-I127 WeakPolarHBondContact OE2-CD1 3.45Å; E118-R129 WeakPolarHBondContact CA-O 3.3Å
119	L	96.7	Very high	91.9	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.4	171.4	177.8	72.2	0	0	0	108.4	H107 I109 R128 R129 F143 L164	H107-L119 HydrophobicContact CB-CD1 3.85Å; I109-L119 HydrophobicContact CG2-CB 4.36Å; I109-L119 HydrophobicContact CG2-CD1 3.57Å; L119-R128 HydrophobicContact CD2-CB 4.16Å; L119-R128 HydrophobicContact CG-CB 4.3Å; L119-R128 PolarHBondContact O-N 3.01Å; L119-R129 HydrophobicContact CB-CB 4.05Å; L119-R129 HydrophobicContact CD2-CB 4.38Å; L119-R129 HydrophobicContact CD2-CG 4.07Å; L119-R129 PolarHBondContact N-O 2.95Å; L119-R129 PolarHBondContact O-N 2.81Å; L119-F143 HydrophobicContact CD1-CE1 4.2Å; L119-F143 HydrophobicContact CD1-CZ 3.82Å; L119-L164 HydrophobicContact CD1-CD1 4.09Å; L119-L164 HydrophobicContact CD1-CD2 4.24Å; L119-L164 HydrophobicContact CD2-CB 4.01Å; L119-L164 HydrophobicContact CD2-CD2 4.27Å
120	Y	95.6	Very high	91.7	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.016	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151.8	-179.2	-68.7	-100.3	0	0	0	111.8	I84 H107 F108 A110 F112 E118 G125 N126 I127	I84-Y120 HydrophobicContact CB-CE1 3.82Å; I84-Y120 HydrophobicContact CD1-CE2 4.35Å; I84-Y120 HydrophobicContact CG2-CD1 4.11Å; I84-Y120 HydrophobicContact CG2-CE1 3.8Å; H107-Y120 VanDerWaalsContact CA-O 3.27Å; H107-Y120 WeakPolarHBondContact CA-O 3.28Å; H107-Y120 WeakPolarHBondContact CB-O 3.15Å; F108-Y120 AromaticContact CD2-CD2 3.95Å; F108-Y120 HydrophobicContact CD2-CD2 3.95Å; F108-Y120 HydrophobicContact CD2-CG 4.08Å; F108-Y120 HydrophobicContact CE1-CG 4.19Å; F108-Y120 HydrophobicContact CE2-CD1 4.01Å; F108-Y120 AromaticContact CE2-CD2 3.37Å; F108-Y120 HydrophobicContact CE2-CD2 3.37Å; F108-Y120 HydrophobicContact CE2-CE2 4.16Å; F108-Y120 AromaticContact CE2-CG 3.29Å; F108-Y120 HydrophobicContact CE2-CG 3.29Å; F108-Y120 AromaticContact CZ-CD1 3.75Å; F108-Y120 HydrophobicContact CZ-CD1 3.75Å; F108-Y120 AromaticContact CZ-CD2 3.95Å; F108-Y120 HydrophobicContact CZ-CD2 3.95Å; F108-Y120 AromaticContact CZ-CG 3.34Å; F108-Y120 HydrophobicContact CZ-CG 3.34Å; F108-Y120 PolarHBondContact N-O 2.82Å; F108-Y120 PolarHBondContact O-N 3.35Å; A110-Y120 HydrophobicContact CB-CE2 4.15Å; F112-Y120 HydrophobicContact CE2-CE2 4.37Å; F112-Y120 HydrophobicContact CZ-CE2 4.39Å; F112-Y120 WeakPolarHBondContact CZ-OH 3.42Å; E118-Y120 HydrophobicContact CB-CD2 4.19Å; E118-Y120 HydrophobicContact CB-CE2 3.47Å; E118-Y120 VanDerWaalsContact CB-CE2 3.47Å; E118-Y120 VanDerWaalsContact OE2-CZ 3.3Å; E118-Y120 PolarHBondContact OE2-OH 3.3Å; Y120-G125 WeakPolarHBondContact CD1-O 3.34Å; Y120-N126 WeakPolarHBondContact CA-O 3.41Å; Y120-I127 HydrophobicContact CD1-CG1 3.98Å; Y120-I127 HydrophobicContact CE1-CB 4.48Å; Y120-I127 HydrophobicContact CE1-CD1 4.37Å; Y120-I127 HydrophobicContact CE1-CG1 3.4Å; Y120-I127 VanDerWaalsContact CE1-CG1 3.4Å
121	D	94.3	Very high	91.7	Very high	24 Å²	24	43.5 Å²	43.5	13%	0.128	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.4	165.2	-174.7	-85	0	0	0	109.3	Q123 T124 G125 N126 R128	D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.08Å; D121-Q123 PolarHBondContact OD1-N 2.85Å; D121-T124 WeakPolarHBondContact CB-OG1 3.22Å; D121-T124 PolarHBondContact O-N 3.09Å; D121-T124 PolarHBondContact OD1-N 3.21Å; D121-T124 PolarHBondContact OD1-OG1 2.93Å; D121-G125 WeakPolarHBondContact O-CA 3.16Å; D121-G125 PolarHBondContact O-N 2.88Å; D121-N126 PolarHBondContact N-O 2.74Å; D121-R128 HydrophobicContact CB-CG 3.88Å; D121-R128 IonicContact OD2-CZ 3.8Å; D121-R128 IonicContact OD2-NE 3.34Å; D121-R128 PolarHBondContact OD2-NE 2.82Å; D121-R128 IonicContact OD2-NH2 3.4Å
122	A	92.9	Very high	91.6	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.017	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.3	-172.2	0	0	0	0	0	113.4	G105 E106 F108 W465	G105-A122 WeakPolarHBondContact O-CB 3.43Å; E106-A122 VanDerWaalsContact C-CB 3.42Å; E106-A122 WeakPolarHBondContact O-CB 3.33Å; E106-A122 PolarHBondContact O-N 2.7Å; F108-A122 HydrophobicContact CD1-CB 3.99Å; A122-W465 HydrophobicContact CB-CH2 3.78Å; A122-W465 HydrophobicContact CB-CZ2 3.94Å
123	Q	89.3	Confident	91.5	Very high	179 Å²	179	52 Å²	52	84%	0.836	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-41.1	178.8	-176.5	177.9	8.6	0	0	111.5	D121	D121-Q123 VanDerWaalsContact C-N 3.28Å; D121-Q123 PolarHBondContact O-N 3.08Å; D121-Q123 PolarHBondContact OD1-N 2.85Å
124	T	88.6	Confident	91.9	Very high	76 Å²	76	50.4 Å²	50.4	47%	0.466	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-16.1	-173.1	61.5	0	0	0	0	114	D121 N126	D121-T124 WeakPolarHBondContact CB-OG1 3.22Å; D121-T124 PolarHBondContact O-N 3.09Å; D121-T124 PolarHBondContact OD1-N 3.21Å; D121-T124 PolarHBondContact OD1-OG1 2.93Å; T124-N126 WeakPolarHBondContact CB-ND2 3.19Å; T124-N126 PolarHBondContact O-N 2.82Å; T124-N126 PolarHBondContact OG1-N 3.02Å; T124-N126 PolarHBondContact OG1-ND2 3.13Å
125	G	87	Confident	92.3	Very high	16 Å²	16	54.9 Å²	54.9	17%	0.165	29%	0.292	C	S	.	.			trans	69.9	9.7	-173.7	0	0	0	0	0	113.6	Y120 D121	Y120-G125 WeakPolarHBondContact CD1-O 3.34Å; D121-G125 WeakPolarHBondContact O-CA 3.16Å; D121-G125 PolarHBondContact O-N 2.88Å
126	N	90.5	Very high	92.6	Very high	102 Å²	102	53.8 Å²	53.8	55%	0.545	29%	0.286	S	S	.	.			trans	-88.1	146.6	-177	-69.1	-42.2	0	0	0	112.1	Y120 D121 T124 R128	Y120-N126 WeakPolarHBondContact CA-O 3.41Å; D121-N126 PolarHBondContact N-O 2.74Å; T124-N126 WeakPolarHBondContact CB-ND2 3.19Å; T124-N126 PolarHBondContact O-N 2.82Å; T124-N126 PolarHBondContact OG1-N 3.02Å; T124-N126 PolarHBondContact OG1-ND2 3.13Å; N126-R128 PolarHBondContact O-N 2.88Å
127	I	92.5	Very high	92.8	Very high	84 Å²	84	56 Å²	56	43%	0.431	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	124.5	174.3	-59	166.9	0	0	0	109.4	E118 Y120	E118-I127 WeakPolarHBondContact OE2-CD1 3.45Å; Y120-I127 HydrophobicContact CD1-CG1 3.98Å; Y120-I127 HydrophobicContact CE1-CB 4.48Å; Y120-I127 HydrophobicContact CE1-CD1 4.37Å; Y120-I127 HydrophobicContact CE1-CG1 3.4Å; Y120-I127 VanDerWaalsContact CE1-CG1 3.4Å
128	R	94.5	Very high	92.8	Very high	122 Å²	122	56 Å²	56	46%	0.46	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-39.8	171	-67.5	-168.4	129.9	-158	-1	112.4	H107 L119 D121 N126	H107-R128 PolarHBondContact NE2-NH1 2.84Å; L119-R128 HydrophobicContact CD2-CB 4.16Å; L119-R128 HydrophobicContact CG-CB 4.3Å; L119-R128 PolarHBondContact O-N 3.01Å; D121-R128 HydrophobicContact CB-CG 3.88Å; D121-R128 IonicContact OD2-CZ 3.8Å; D121-R128 IonicContact OD2-NE 3.34Å; D121-R128 PolarHBondContact OD2-NE 2.82Å; D121-R128 IonicContact OD2-NH2 3.4Å; N126-R128 PolarHBondContact O-N 2.88Å
129	R	95	Very high	92.8	Very high	112 Å²	112	58.1 Å²	58.1	42%	0.423	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	143	-179.2	-59.3	-68.6	179.2	-105.4	4.7	110.7	E118 L119 L131 I165	E118-R129 WeakPolarHBondContact CA-O 3.3Å; L119-R129 HydrophobicContact CB-CB 4.05Å; L119-R129 HydrophobicContact CD2-CB 4.38Å; L119-R129 HydrophobicContact CD2-CG 4.07Å; L119-R129 PolarHBondContact N-O 2.95Å; L119-R129 PolarHBondContact O-N 2.81Å; R129-L131 HydrophobicContact CB-CD2 4.15Å; R129-I165 PolarHBondContact NE-O 2.89Å; R129-I165 PolarHBondContact NH2-O 3.34Å; R129-I165 VanDerWaalsContact NH2-O 3.11Å
130	S	92.9	Very high	92.7	Very high	46 Å²	46	57.9 Å²	57.9	32%	0.322	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.6	159.6	-178.5	0	0	0	0	107.9	E132	S130-E132 VanDerWaalsContact OG-CG 3.25Å; S130-E132 WeakPolarHBondContact OG-CG 3.25Å; S130-E132 PolarHBondContact OG-OE1 3.43Å
131	L	95.4	Very high	92.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.304	C	S	.	.			trans	-104.8	75.9	-177	-54.9	-179.4	0	0	0	109	V117 R129 W162 L164	V117-L131 HydrophobicContact CB-CB 4.15Å; V117-L131 HydrophobicContact CG1-CD1 4.07Å; V117-L131 WeakPolarHBondContact O-CB 3.45Å; V117-L131 PolarHBondContact O-N 3.28Å; R129-L131 HydrophobicContact CB-CD2 4.15Å; L131-W162 HydrophobicContact CB-CD2 3.82Å; L131-W162 HydrophobicContact CB-CE3 3.78Å; L131-W162 HydrophobicContact CB-CG 4.31Å; L131-W162 HydrophobicContact CB-CH2 4.4Å; L131-W162 HydrophobicContact CB-CZ2 4.41Å; L131-W162 HydrophobicContact CB-CZ3 4.08Å; L131-W162 HydrophobicContact CD1-CB 3.99Å; L131-W162 HydrophobicContact CD1-CD2 4.29Å; L131-W162 HydrophobicContact CD1-CG 3.89Å; L131-W162 HydrophobicContact CD2-CB 4.25Å; L131-W162 HydrophobicContact CD2-CD2 4.46Å; L131-W162 HydrophobicContact CD2-CE3 4.23Å; L131-W162 HydrophobicContact CD2-CG 4.48Å; L131-W162 HydrophobicContact CG-CD2 4.41Å; L131-W162 HydrophobicContact CG-CE3 4.48Å; L131-W162 HydrophobicContact CG-CG 4.46Å; L131-W162 WeakPolarHBondContact O-CH2 3.37Å; L131-L164 HydrophobicContact CD1-CD2 3.78Å; L131-L164 HydrophobicContact CD2-CD2 4.32Å
132	E	92.1	Very high	92.9	Very high	139 Å²	139	59 Å²	59	65%	0.65	31%	0.307	S	S	*	.			trans	-84.4	136.6	-173	-59.5	-175.3	174.9	0	0	112.5	S130 W162	S130-E132 VanDerWaalsContact OG-CG 3.25Å; S130-E132 WeakPolarHBondContact OG-CG 3.25Å; S130-E132 PolarHBondContact OG-OE1 3.43Å; E132-W162 VanDerWaalsContact O-CH2 3.22Å; E132-W162 WeakPolarHBondContact O-CH2 3.49Å; E132-W162 WeakPolarHBondContact O-CZ3 3.41Å
133	G	90.6	Very high	93.1	Very high	40 Å²	40	59.6 Å²	59.6	41%	0.412	31%	0.309	S	S	.	.			trans	153	-12.5	173.8	0	0	0	0	0	115.4	K160	G133-K160 VanDerWaalsContact O-CE 3.27Å; G133-K160 WeakPolarHBondContact O-CE 3.38Å
134	H	93.7	Very high	93.4	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.042	27%	0.272	C	S	.	.			trans	-72.2	143.1	167.7	-82.5	-70.1	0	0	0	110.9	S115 V138 T152 D156	S115-H134 VanDerWaalsContact CB-O 3.26Å; S115-H134 WeakPolarHBondContact CB-O 3.37Å; S115-H134 PolarHBondContact OG-O 2.87Å; H134-V138 HydrophobicContact CB-CG2 3.77Å; H134-V138 WeakPolarHBondContact CD2-CG2 3.37Å; H134-T152 PolarHBondContact CD2-OG1 3.45Å; H134-T152 WeakPolarHBondContact NE2-CB 3.44Å; H134-T152 PolarHBondContact NE2-OG1 3.46Å; H134-D156 WeakPolarHBondContact CA-OD2 3.23Å; H134-D156 IonicContact CE1-OD1 2.86Å; H134-D156 IonicContact CE1-OD2 2.75Å; H134-D156 IonicContact CG-OD2 2.75Å; H134-D156 VanDerWaalsContact ND1-CG 3.28Å; H134-D156 IonicContact ND1-OD1 3.23Å; H134-D156 PolarHBondContact ND1-OD1 3.17Å; H134-D156 IonicContact ND1-OD2 3.86Å; H134-D156 PolarHBondContact ND1-OD2 3.16Å
135	V	92.2	Very high	93.4	Very high	130 Å²	130	51.5 Å²	51.5	79%	0.788	27%	0.272	S	S	*	.	S	Bend	trans	-106.8	6.7	-178.2	-168	0	0	0	0	111.6	D156	V135-D156 PolarHBondContact N-OD2 3.44Å
136	G	91.4	Very high	93.5	Very high	14 Å²	14	54.4 Å²	54.4	14%	0.144	29%	0.29	C	S	.	.	S	Bend	trans	-155.3	175.1	177.1	0	0	0	0	0	111.6	S115 V138 S155	S115-G136 VanDerWaalsContact CA-O 3.3Å; S115-G136 WeakPolarHBondContact CA-O 3.38Å; S115-G136 WeakPolarHBondContact CB-O 3.31Å; G136-V138 PolarHBondContact O-N 2.84Å; G136-S155 WeakPolarHBondContact CA-OG 3.47Å
137	D	92.9	Very high	93.5	Very high	56 Å²	56	50.4 Å²	50.4	30%	0.299	27%	0.272	S	S	.	.			trans	-51	129.1	177.3	-66.3	-27.6	0	0	0	112.4	G114 Y139 G154 S155	G114-D137 PolarHBondContact N-OD1 3.48Å; D137-Y139 HydrophobicContact CB-CD1 4.17Å; D137-Y139 HydrophobicContact CB-CE1 3.49Å; D137-Y139 VanDerWaalsContact CB-CE1 3.49Å; D137-G154 CarbonylContact O-C 2.86Å; D137-G154 VanDerWaalsContact O-CA 3.32Å; D137-G154 WeakPolarHBondContact O-CA 3.49Å; D137-S155 PolarHBondContact N-OG 2.78Å; D137-S155 PolarHBondContact O-N 2.89Å; D137-S155 PolarHBondContact O-OG 2.81Å
138	V	95.4	Very high	93.6	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.9	174.1	178.2	0	0	0	0	107.5	S97 V117 H134 G136 T140 T152	S97-V138 VanDerWaalsContact CB-O 3.23Å; S97-V138 WeakPolarHBondContact CB-O 3.09Å; S97-V138 PolarHBondContact OG-O 3.37Å; V117-V138 HydrophobicContact CG2-CB 3.99Å; V117-V138 HydrophobicContact CG2-CG1 3.86Å; V117-V138 HydrophobicContact CG2-CG2 3.7Å; H134-V138 HydrophobicContact CB-CG2 3.77Å; H134-V138 WeakPolarHBondContact CD2-CG2 3.37Å; G136-V138 PolarHBondContact O-N 2.84Å; V138-T140 WeakPolarHBondContact CG1-O 3.06Å; V138-T152 HydrophobicContact CG1-CG2 4.49Å
139	Y	94.9	Very high	93.7	Very high	58 Å²	58	46.9 Å²	46.9	23%	0.227	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-21.9	-176.4	-62	-37.4	0	0	0	112.8	S98 D137 A153 S155 I193 L194 R210	S98-Y139 WeakPolarHBondContact CB-O 3.29Å; D137-Y139 HydrophobicContact CB-CD1 4.17Å; D137-Y139 HydrophobicContact CB-CE1 3.49Å; D137-Y139 VanDerWaalsContact CB-CE1 3.49Å; Y139-A153 PolarHBondContact N-O 3.07Å; Y139-S155 WeakPolarHBondContact OH-CB 3.36Å; Y139-I193 WeakPolarHBondContact CD2-O 3.22Å; Y139-L194 HydrophobicContact CD2-CD2 4.34Å; Y139-R210 VanDerWaalsContact CE2-NH2 3.28Å; Y139-R210 PolarHBondContact OH-NH2 2.97Å
140	T	95.8	Very high	93.8	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.6	-179	-178.4	0	0	0	0	111	V138 R142 T152 A153 T196	V138-T140 WeakPolarHBondContact CG1-O 3.06Å; T140-R142 PolarHBondContact OG1-NH1 2.86Å; T140-T152 VanDerWaalsContact O-CA 3.31Å; T140-T152 WeakPolarHBondContact O-CA 3.08Å; T140-A153 HydrophobicContact CG2-CB 3.84Å; T140-A153 PolarHBondContact N-O 2.66Å; T140-A153 VanDerWaalsContact N-O 3.12Å; T140-A153 PolarHBondContact O-N 2.82Å; T140-T196 HydrophobicContact CG2-CG2 3.72Å; T140-T196 PolarHBondContact OG1-OG1 2.83Å
141	C	97.1	Very high	94.1	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.007	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	133.5	168.5	62	0	0	0	0	109.6	S98 I109 V117 L151 T152	S98-C141 VanDerWaalsContact C-SG 3.52Å; S98-C141 PolarHBondContact O-SG 3.17Å; S98-C141 PolarHBondContact OG-N 2.92Å; I109-C141 HydrophobicContact CD1-CB 3.83Å; I109-C141 HydrophobicContact CG1-CB 4.23Å; V117-C141 HydrophobicContact CG1-CB 4.5Å; C141-L151 CarbonylContact C-O 3.43Å; C141-L151 VanDerWaalsContact CA-O 3.29Å; C141-L151 WeakPolarHBondContact CA-O 3.3Å; C141-T152 HydrophobicContact CB-CG2 3.94Å
142	R	96.8	Very high	94.2	Very high	49 Å²	49	39.4 Å²	39.4	19%	0.185	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.5	178.6	-72.8	-172.4	174	81	-8.1	112	D100 T140 A150 L151 D195 T196 I198	D100-R142 WeakPolarHBondContact OD2-CA 3.25Å; T140-R142 PolarHBondContact OG1-NH1 2.86Å; R142-A150 CarbonylContact O-C 3.52Å; R142-A150 WeakPolarHBondContact O-CA 3.29Å; R142-L151 PolarHBondContact N-O 3Å; R142-L151 PolarHBondContact O-N 2.75Å; R142-D195 IonicContact CZ-OD1 3.81Å; R142-D195 IonicContact NH1-OD1 3.64Å; R142-D195 PolarHBondContact NH1-OD1 2.96Å; R142-D195 IonicContact NH2-OD1 3.81Å; R142-D195 PolarHBondContact NH2-OD1 3.46Å; R142-D195 IonicContact NH2-OD2 2.78Å; R142-T196 PolarHBondContact NH1-O 3.04Å; R142-T196 PolarHBondContact NH1-OG1 2.8Å; R142-T196 PolarHBondContact NH2-O 2.88Å; R142-I198 HydrophobicContact CB-CD1 4.06Å
143	F	96.9	Very high	94.4	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.066	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.8	166.1	-81.7	-88	0	0	0	110.9	D100 S102 H107 I109 L119 L164 I198	D100-F143 HydrophobicContact CB-CD2 4.35Å; D100-F143 WeakPolarHBondContact O-CE2 3.21Å; D100-F143 PolarHBondContact OD2-N 2.79Å; S102-F143 VanDerWaalsContact N-CD2 3.35Å; S102-F143 VanDerWaalsContact N-CE2 3.35Å; H107-F143 HydrophobicContact CB-CE1 4.42Å; H107-F143 HydrophobicContact CB-CZ 3.98Å; I109-F143 HydrophobicContact CB-CE2 4.06Å; I109-F143 HydrophobicContact CB-CZ 4.41Å; I109-F143 HydrophobicContact CD1-CD2 3.95Å; I109-F143 HydrophobicContact CD1-CE2 4.08Å; I109-F143 HydrophobicContact CD1-CG 4.48Å; I109-F143 HydrophobicContact CG1-CD2 3.9Å; I109-F143 HydrophobicContact CG1-CE2 3.63Å; I109-F143 HydrophobicContact CG1-CZ 4.39Å; I109-F143 HydrophobicContact CG2-CE1 4.31Å; I109-F143 HydrophobicContact CG2-CE2 3.75Å; I109-F143 HydrophobicContact CG2-CZ 3.61Å; L119-F143 HydrophobicContact CD1-CE1 4.2Å; L119-F143 HydrophobicContact CD1-CZ 3.82Å; F143-L164 HydrophobicContact CD1-CD1 3.71Å; F143-L164 HydrophobicContact CE1-CD1 3.26Å; F143-L164 HydrophobicContact CZ-CD1 4.2Å; F143-I198 VanDerWaalsContact O-CD1 3.23Å; F143-I198 WeakPolarHBondContact O-CD1 3.24Å
144	F	94.8	Very high	94.7	Very high	12 Å²	12	30.9 Å²	30.9	5%	0.053	18%	0.179	C	C	.	.			trans	-68.1	153.6	158.1	-77.7	-116	0	0	0	109.5	S146 G147 V149 L151 I161 I198 I205	F144-S146 PolarHBondContact O-N 3.28Å; F144-G147 PolarHBondContact O-N 3.11Å; F144-V149 HydrophobicContact CB-CB 4.15Å; F144-V149 WeakPolarHBondContact CB-O 3.19Å; F144-V149 HydrophobicContact CD2-CB 3.9Å; F144-V149 HydrophobicContact CD2-CG1 3.66Å; F144-V149 WeakPolarHBondContact CD2-O 3.39Å; F144-V149 HydrophobicContact CE2-CB 4.46Å; F144-V149 HydrophobicContact CE2-CG1 3.74Å; F144-V149 HydrophobicContact CG-CB 4.02Å; F144-V149 HydrophobicContact CG-CG1 4.15Å; F144-V149 HydrophobicContact CZ-CG1 4.31Å; F144-V149 PolarHBondContact N-O 3.24Å; F144-L151 HydrophobicContact CD2-CB 4.38Å; F144-L151 HydrophobicContact CE2-CB 3.7Å; F144-L151 HydrophobicContact CZ-CB 4.49Å; F144-I161 HydrophobicContact CE2-CG2 4.26Å; F144-I161 HydrophobicContact CZ-CD1 4.26Å; F144-I161 HydrophobicContact CZ-CG1 4.44Å; F144-I161 HydrophobicContact CZ-CG2 4.27Å; F144-I198 HydrophobicContact CD1-CG2 4.15Å; F144-I198 HydrophobicContact CD2-CD1 3.81Å; F144-I198 HydrophobicContact CE1-CG2 4.37Å; F144-I198 HydrophobicContact CE2-CD1 4.14Å; F144-I198 HydrophobicContact CG-CD1 4.04Å; F144-I205 HydrophobicContact CZ-CD1 4.07Å
145	P	88.8	Confident	94.7	Very high	74 Å²	74	32 Å²	32	48%	0.481	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.5	179.9	-29.2	36.3	0	0	0	114.9	G147	P145-G147 VanDerWaalsContact C-N 3.28Å; P145-G147 PolarHBondContact O-N 2.92Å
146	S	89.5	Confident	94.7	Very high	77 Å²	77	27.2 Å²	27.2	54%	0.538	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.9	175.8	63.9	0	0	0	0	114.1	F144 L148	F144-S146 PolarHBondContact O-N 3.28Å; S146-L148 PolarHBondContact O-N 2.87Å; S146-L148 PolarHBondContact OG-N 2.81Å
147	G	91.1	Very high	94.9	Very high	17 Å²	17	29.5 Å²	29.5	18%	0.175	17%	0.165	C	C	.	.	S	Bend	trans	72.3	-4.8	-173.3	0	0	0	0	0	114.9	F144 P145	F144-G147 PolarHBondContact O-N 3.11Å; P145-G147 VanDerWaalsContact C-N 3.28Å; P145-G147 PolarHBondContact O-N 2.92Å
148	L	94.2	Very high	94.9	Very high	95 Å²	95	29.6 Å²	29.6	50%	0.497	16%	0.164	S	C	.	.	S	Bend	trans	-94.4	-14.4	-175.5	-59.1	-179	0	0	0	113.6	S146 L164 I165	S146-L148 PolarHBondContact O-N 2.87Å; S146-L148 PolarHBondContact OG-N 2.81Å; L148-L164 WeakPolarHBondContact O-CB 3.48Å; L148-L164 PolarHBondContact O-N 3.3Å; L148-I165 HydrophobicContact CD2-CD1 4.35Å
149	V	96.3	Very high	95	Very high	38 Å²	38	29.6 Å²	29.6	23%	0.23	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.5	-173.1	-175.8	0	0	0	0	109.1	F144 I161 W162	F144-V149 HydrophobicContact CB-CB 4.15Å; F144-V149 WeakPolarHBondContact CB-O 3.19Å; F144-V149 HydrophobicContact CD2-CB 3.9Å; F144-V149 HydrophobicContact CD2-CG1 3.66Å; F144-V149 WeakPolarHBondContact CD2-O 3.39Å; F144-V149 HydrophobicContact CE2-CB 4.46Å; F144-V149 HydrophobicContact CE2-CG1 3.74Å; F144-V149 HydrophobicContact CG-CB 4.02Å; F144-V149 HydrophobicContact CG-CG1 4.15Å; F144-V149 HydrophobicContact CZ-CG1 4.31Å; F144-V149 PolarHBondContact N-O 3.24Å; V149-I161 HydrophobicContact CG1-CG2 3.25Å; V149-W162 VanDerWaalsContact CA-O 3.23Å; V149-W162 WeakPolarHBondContact CA-O 3.44Å; V149-W162 WeakPolarHBondContact CG1-O 3.32Å
150	A	97.5	Very high	95.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.9	171.7	0	0	0	0	0	111.1	I109 R142 I161 W162 L164	I109-A150 HydrophobicContact CD1-CB 3.86Å; R142-A150 CarbonylContact O-C 3.52Å; R142-A150 WeakPolarHBondContact O-CA 3.29Å; A150-I161 WeakPolarHBondContact O-CA 3.48Å; A150-W162 PolarHBondContact N-O 3.48Å; A150-W162 VanDerWaalsContact N-O 3.12Å; A150-W162 PolarHBondContact O-N 3.37Å; A150-L164 HydrophobicContact CB-CD1 4.15Å; A150-L164 HydrophobicContact CB-CD2 3.8Å; A150-L164 HydrophobicContact CB-CG 4.2Å
151	L	98.1	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	134.6	167.4	179.1	59.3	0	0	0	108.8	C141 R142 F144 L159 K160 I161 T196 I198 I205	C141-L151 CarbonylContact C-O 3.43Å; C141-L151 VanDerWaalsContact CA-O 3.29Å; C141-L151 WeakPolarHBondContact CA-O 3.3Å; R142-L151 PolarHBondContact N-O 3Å; R142-L151 PolarHBondContact O-N 2.75Å; F144-L151 HydrophobicContact CD2-CB 4.38Å; F144-L151 HydrophobicContact CE2-CB 3.7Å; F144-L151 HydrophobicContact CZ-CB 4.49Å; L151-L159 HydrophobicContact CD1-CB 4.06Å; L151-L159 HydrophobicContact CD1-CD2 4.19Å; L151-K160 WeakPolarHBondContact CA-O 3.35Å; L151-I161 HydrophobicContact CD1-CG1 4.16Å; L151-T196 HydrophobicContact CD2-CG2 4.08Å; L151-I198 HydrophobicContact CB-CD1 4.24Å; L151-I198 HydrophobicContact CD2-CG1 4.04Å; L151-I205 HydrophobicContact CD1-CD1 3.75Å; L151-I205 HydrophobicContact CD2-CB 4.49Å; L151-I205 HydrophobicContact CD2-CD1 3.91Å; L151-I205 HydrophobicContact CD2-CG1 4.08Å; L151-I205 HydrophobicContact CD2-CG2 3.58Å; L151-I205 HydrophobicContact CG-CD1 4.42Å
152	T	98.1	Very high	95.2	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.7	171.3	60.5	0	0	0	0	110.5	V117 H134 V138 T140 C141 L159 K160 W162	V117-T152 HydrophobicContact CB-CG2 4.42Å; V117-T152 HydrophobicContact CG1-CG2 3.86Å; V117-T152 HydrophobicContact CG2-CG2 4.05Å; H134-T152 PolarHBondContact CD2-OG1 3.45Å; H134-T152 WeakPolarHBondContact NE2-CB 3.44Å; H134-T152 PolarHBondContact NE2-OG1 3.46Å; V138-T152 HydrophobicContact CG1-CG2 4.49Å; T140-T152 VanDerWaalsContact O-CA 3.31Å; T140-T152 WeakPolarHBondContact O-CA 3.08Å; C141-T152 HydrophobicContact CB-CG2 3.94Å; T152-L159 CarbonylContact O-C 3.57Å; T152-L159 VanDerWaalsContact O-CA 3.3Å; T152-L159 WeakPolarHBondContact O-CA 3.44Å; T152-K160 PolarHBondContact N-O 2.92Å; T152-K160 PolarHBondContact O-N 3.16Å; T152-W162 PolarHBondContact OG1-NE1 3.5Å
153	A	97.1	Very high	95.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	157.3	174.9	0	0	0	0	0	111.5	Y139 T140 Q158 L159 I193 T196	Y139-A153 PolarHBondContact N-O 3.07Å; T140-A153 HydrophobicContact CG2-CB 3.84Å; T140-A153 PolarHBondContact N-O 2.66Å; T140-A153 VanDerWaalsContact N-O 3.12Å; T140-A153 PolarHBondContact O-N 2.82Å; A153-Q158 WeakPolarHBondContact CA-O 3.38Å; A153-L159 HydrophobicContact CB-CG 4.1Å; A153-I193 HydrophobicContact CB-CB 3.86Å; A153-I193 HydrophobicContact CB-CD1 3.95Å; A153-I193 HydrophobicContact CB-CG2 3.63Å; A153-T196 HydrophobicContact CB-CG2 3.78Å
154	G	95.3	Very high	95.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176	-146.1	-179.4	0	0	0	0	0	115.8	D137 D156 M157 G192 I193	D137-G154 CarbonylContact O-C 2.86Å; D137-G154 VanDerWaalsContact O-CA 3.32Å; D137-G154 WeakPolarHBondContact O-CA 3.49Å; G154-D156 VanDerWaalsContact C-N 3.26Å; G154-D156 PolarHBondContact O-N 3.46Å; G154-M157 PolarHBondContact O-N 3.46Å; G154-M157 VanDerWaalsContact O-N 3.15Å; G154-G192 WeakPolarHBondContact O-CA 3.14Å; G154-I193 WeakPolarHBondContact CA-O 3.44Å; G154-I193 PolarHBondContact O-N 2.85Å
155	S	94.5	Very high	95.3	Very high	34 Å²	34	31.7 Å²	31.7	24%	0.238	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.2	-171	74.1	0	0	0	0	114.2	G136 D137 Y139 M157	G136-S155 WeakPolarHBondContact CA-OG 3.47Å; D137-S155 PolarHBondContact N-OG 2.78Å; D137-S155 PolarHBondContact O-N 2.89Å; D137-S155 PolarHBondContact O-OG 2.81Å; Y139-S155 WeakPolarHBondContact OH-CB 3.36Å; S155-M157 PolarHBondContact O-N 3.18Å
156	D	93	Very high	95.6	Very high	28 Å²	28	31.1 Å²	31.1	15%	0.15	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	4.1	174.5	74.7	-9.4	0	0	0	113.4	H134 V135 G154 Q158	H134-D156 WeakPolarHBondContact CA-OD2 3.23Å; H134-D156 IonicContact CE1-OD1 2.86Å; H134-D156 IonicContact CE1-OD2 2.75Å; H134-D156 IonicContact CG-OD2 2.75Å; H134-D156 VanDerWaalsContact ND1-CG 3.28Å; H134-D156 IonicContact ND1-OD1 3.23Å; H134-D156 PolarHBondContact ND1-OD1 3.17Å; H134-D156 IonicContact ND1-OD2 3.86Å; H134-D156 PolarHBondContact ND1-OD2 3.16Å; V135-D156 PolarHBondContact N-OD2 3.44Å; G154-D156 VanDerWaalsContact C-N 3.26Å; G154-D156 PolarHBondContact O-N 3.46Å; D156-Q158 PolarHBondContact O-N 2.86Å; D156-Q158 VanDerWaalsContact O-N 3.17Å; D156-Q158 PolarHBondContact OD1-N 3.15Å; D156-Q158 PolarHBondContact OD2-NE2 3Å
157	M	93.9	Very high	95.8	Very high	63 Å²	63	28.1 Å²	28.1	31%	0.31	16%	0.161	S	C	.	.	S	Bend	trans	66.4	12.8	173.2	-39.1	179.4	-173.6	0	0	113.9	G154 S155 H189 R190	G154-M157 PolarHBondContact O-N 3.46Å; G154-M157 VanDerWaalsContact O-N 3.15Å; S155-M157 PolarHBondContact O-N 3.18Å; M157-H189 HydrophobicContact CB-CB 4.45Å; M157-R190 VanDerWaalsContact SD-O 3.33Å
158	Q	94.5	Very high	96.1	Very high	57 Å²	57	35.7 Å²	35.7	27%	0.266	18%	0.184	S	C	.	.			trans	-111.7	142.8	-178.4	-64.5	-178	108.5	0	0	110.6	A153 D156 T172	A153-Q158 WeakPolarHBondContact CA-O 3.38Å; D156-Q158 PolarHBondContact O-N 2.86Å; D156-Q158 VanDerWaalsContact O-N 3.17Å; D156-Q158 PolarHBondContact OD1-N 3.15Å; D156-Q158 PolarHBondContact OD2-NE2 3Å; Q158-T172 HydrophobicContact CB-CG2 4.15Å; Q158-T172 HydrophobicContact CG-CG2 4.23Å
159	L	96.8	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133.9	160.7	-53.6	88.3	0	0	0	108.3	L151 T152 A153 T172 L173 I193 T196 I205 W217	L151-L159 HydrophobicContact CD1-CB 4.06Å; L151-L159 HydrophobicContact CD1-CD2 4.19Å; T152-L159 CarbonylContact O-C 3.57Å; T152-L159 VanDerWaalsContact O-CA 3.3Å; T152-L159 WeakPolarHBondContact O-CA 3.44Å; A153-L159 HydrophobicContact CB-CG 4.1Å; L159-T172 CarbonylContact O-C 3.29Å; L159-T172 WeakPolarHBondContact O-CA 3.23Å; L159-L173 HydrophobicContact CB-CB 4.12Å; L159-L173 HydrophobicContact CD1-CB 4.2Å; L159-L173 PolarHBondContact N-O 2.67Å; L159-L173 PolarHBondContact O-N 3.48Å; L159-I193 HydrophobicContact CD1-CD1 3.5Å; L159-I193 HydrophobicContact CG-CD1 3.76Å; L159-T196 HydrophobicContact CD2-CG2 4.08Å; L159-I205 HydrophobicContact CD2-CG2 3.69Å; L159-W217 HydrophobicContact CD1-CH2 4.26Å; L159-W217 HydrophobicContact CD1-CZ2 3.64Å
160	K	97	Very high	96.1	Very high	18 Å²	18	35.1 Å²	35.1	8%	0.078	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.5	174.4	-68.6	-177	179	-74	0	110.3	G133 L151 T152 W162 T172	G133-K160 VanDerWaalsContact O-CE 3.27Å; G133-K160 WeakPolarHBondContact O-CE 3.38Å; L151-K160 WeakPolarHBondContact CA-O 3.35Å; T152-K160 PolarHBondContact N-O 2.92Å; T152-K160 PolarHBondContact O-N 3.16Å; K160-W162 HydrophobicContact CB-CZ2 3.72Å; K160-W162 HydrophobicContact CD-CH2 3.96Å; K160-W162 HydrophobicContact CD-CZ2 3.45Å; K160-W162 VanDerWaalsContact CD-CZ2 3.45Å; K160-W162 HydrophobicContact CG-CZ2 4.22Å; K160-T172 HydrophobicContact CG-CG2 4.31Å; K160-T172 PolarHBondContact NZ-OG1 3.08Å
161	I	97.5	Very high	96	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.051	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.5	177.8	-59.2	-179.5	0	0	0	107.2	F144 V149 A150 L151 C169 A170 A171 L173 I205 V219	F144-I161 HydrophobicContact CE2-CG2 4.26Å; F144-I161 HydrophobicContact CZ-CD1 4.26Å; F144-I161 HydrophobicContact CZ-CG1 4.44Å; F144-I161 HydrophobicContact CZ-CG2 4.27Å; V149-I161 HydrophobicContact CG1-CG2 3.25Å; A150-I161 WeakPolarHBondContact O-CA 3.48Å; L151-I161 HydrophobicContact CD1-CG1 4.16Å; I161-C169 CarbonylContact O-C 3.56Å; I161-A170 PolarHBondContact O-N 3.4Å; I161-A171 HydrophobicContact CB-CB 4.22Å; I161-A171 HydrophobicContact CD1-CB 4.35Å; I161-A171 PolarHBondContact N-O 2.88Å; I161-A171 PolarHBondContact O-N 2.83Å; I161-L173 HydrophobicContact CD1-CD1 4.38Å; I161-I205 HydrophobicContact CD1-CD1 3.94Å; I161-I205 HydrophobicContact CG1-CD1 4.45Å; I161-V219 HydrophobicContact CD1-CB 4.44Å; I161-V219 HydrophobicContact CD1-CG1 3.59Å; I161-V219 HydrophobicContact CD1-CG2 4.19Å
162	W	98	Very high	95.8	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.5	-171.9	-55.2	90.4	0	0	0	111.4	L131 E132 V149 A150 T152 K160 L164 R168 C169	L131-W162 HydrophobicContact CB-CD2 3.82Å; L131-W162 HydrophobicContact CB-CE3 3.78Å; L131-W162 HydrophobicContact CB-CG 4.31Å; L131-W162 HydrophobicContact CB-CH2 4.4Å; L131-W162 HydrophobicContact CB-CZ2 4.41Å; L131-W162 HydrophobicContact CB-CZ3 4.08Å; L131-W162 HydrophobicContact CD1-CB 3.99Å; L131-W162 HydrophobicContact CD1-CD2 4.29Å; L131-W162 HydrophobicContact CD1-CG 3.89Å; L131-W162 HydrophobicContact CD2-CB 4.25Å; L131-W162 HydrophobicContact CD2-CD2 4.46Å; L131-W162 HydrophobicContact CD2-CE3 4.23Å; L131-W162 HydrophobicContact CD2-CG 4.48Å; L131-W162 HydrophobicContact CG-CD2 4.41Å; L131-W162 HydrophobicContact CG-CE3 4.48Å; L131-W162 HydrophobicContact CG-CG 4.46Å; L131-W162 WeakPolarHBondContact O-CH2 3.37Å; E132-W162 VanDerWaalsContact O-CH2 3.22Å; E132-W162 WeakPolarHBondContact O-CH2 3.49Å; E132-W162 WeakPolarHBondContact O-CZ3 3.41Å; V149-W162 VanDerWaalsContact CA-O 3.23Å; V149-W162 WeakPolarHBondContact CA-O 3.44Å; V149-W162 WeakPolarHBondContact CG1-O 3.32Å; A150-W162 PolarHBondContact N-O 3.48Å; A150-W162 VanDerWaalsContact N-O 3.12Å; A150-W162 PolarHBondContact O-N 3.37Å; T152-W162 PolarHBondContact OG1-NE1 3.5Å; K160-W162 HydrophobicContact CB-CZ2 3.72Å; K160-W162 HydrophobicContact CD-CH2 3.96Å; K160-W162 HydrophobicContact CD-CZ2 3.45Å; K160-W162 VanDerWaalsContact CD-CZ2 3.45Å; K160-W162 HydrophobicContact CG-CZ2 4.22Å; W162-L164 HydrophobicContact CB-CD2 4.47Å; W162-L164 PolarHBondContact O-N 2.8Å; W162-R168 WeakPolarHBondContact CA-O 3.08Å; W162-C169 HydrophobicContact CD2-CB 4.45Å; W162-C169 HydrophobicContact CE3-CB 3.79Å; W162-C169 HydrophobicContact CH2-CB 4.02Å; W162-C169 HydrophobicContact CZ3-CB 3.55Å
163	C	97.2	Very high	95.5	Very high	35 Å²	35	37.6 Å²	37.6	24%	0.236	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	111.4	164.6	179	0	0	0	0	108.7	I165 T166 G167 R168	C163-I165 VanDerWaalsContact C-N 3.28Å; C163-I165 PolarHBondContact O-N 3.11Å; C163-T166 PolarHBondContact O-N 3.23Å; C163-G167 VanDerWaalsContact O-CA 3.3Å; C163-G167 WeakPolarHBondContact O-CA 3.32Å; C163-G167 PolarHBondContact O-N 2.93Å; C163-R168 PolarHBondContact N-O 2.86Å; C163-R168 PolarHBondContact O-N 3.43Å
164	L	96.8	Very high	94.9	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.058	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-22.2	-175.4	-64.1	-179.9	0	0	0	113.2	L119 L131 F143 L148 A150 W162	L119-L164 HydrophobicContact CD1-CD1 4.09Å; L119-L164 HydrophobicContact CD1-CD2 4.24Å; L119-L164 HydrophobicContact CD2-CB 4.01Å; L119-L164 HydrophobicContact CD2-CD2 4.27Å; L131-L164 HydrophobicContact CD1-CD2 3.78Å; L131-L164 HydrophobicContact CD2-CD2 4.32Å; F143-L164 HydrophobicContact CD1-CD1 3.71Å; F143-L164 HydrophobicContact CE1-CD1 3.26Å; F143-L164 HydrophobicContact CZ-CD1 4.2Å; L148-L164 WeakPolarHBondContact O-CB 3.48Å; L148-L164 PolarHBondContact O-N 3.3Å; A150-L164 HydrophobicContact CB-CD1 4.15Å; A150-L164 HydrophobicContact CB-CD2 3.8Å; A150-L164 HydrophobicContact CB-CG 4.2Å; W162-L164 HydrophobicContact CB-CD2 4.47Å; W162-L164 PolarHBondContact O-N 2.8Å
165	I	95.3	Very high	93.8	Very high	106 Å²	106	41.4 Å²	41.4	54%	0.544	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-50.3	173.5	-58.2	174.6	0	0	0	109.9	R129 L148 C163	R129-I165 PolarHBondContact NE-O 2.89Å; R129-I165 PolarHBondContact NH2-O 3.34Å; R129-I165 VanDerWaalsContact NH2-O 3.11Å; L148-I165 HydrophobicContact CD2-CD1 4.35Å; C163-I165 VanDerWaalsContact C-N 3.28Å; C163-I165 PolarHBondContact O-N 3.11Å
166	T	95.6	Very high	92.4	Very high	62 Å²	62	47.4 Å²	47.4	38%	0.38	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-13.4	-175.1	73	0	0	0	0	113.9	C163 R168	C163-T166 PolarHBondContact O-N 3.23Å; T166-R168 PolarHBondContact O-N 3.24Å; T166-R168 WeakPolarHBondContact OG1-CB 3.38Å; T166-R168 PolarHBondContact OG1-N 2.74Å; T166-R168 PolarHBondContact OG1-NE 3Å
167	G	94.6	Very high	90.7	Very high	15 Å²	15	47.5 Å²	47.5	16%	0.155	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	15.7	-172.1	0	0	0	0	0	114.5	C163	C163-G167 VanDerWaalsContact O-CA 3.3Å; C163-G167 WeakPolarHBondContact O-CA 3.32Å; C163-G167 PolarHBondContact O-N 2.93Å
168	R	96.8	Very high	89	Confident	176 Å²	176	45.7 Å²	45.7	66%	0.664	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	144.1	-173.9	-64.7	-170.9	-65.5	-179.2	0.1	111.1	W162 C163 T166 A170	W162-R168 WeakPolarHBondContact CA-O 3.08Å; C163-R168 PolarHBondContact N-O 2.86Å; C163-R168 PolarHBondContact O-N 3.43Å; T166-R168 PolarHBondContact O-N 3.24Å; T166-R168 WeakPolarHBondContact OG1-CB 3.38Å; T166-R168 PolarHBondContact OG1-N 2.74Å; T166-R168 PolarHBondContact OG1-NE 3Å; R168-A170 PolarHBondContact O-N 2.99Å
169	C	96	Very high	87.1	Confident	50 Å²	50	47.6 Å²	47.6	34%	0.338	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	110.6	169.4	-168.3	0	0	0	0	108.9	I161 W162 A171 T172	I161-C169 CarbonylContact O-C 3.56Å; W162-C169 HydrophobicContact CD2-CB 4.45Å; W162-C169 HydrophobicContact CE3-CB 3.79Å; W162-C169 HydrophobicContact CH2-CB 4.02Å; W162-C169 HydrophobicContact CZ3-CB 3.55Å; C169-A171 PolarHBondContact SG-O 3.27Å; C169-T172 PolarHBondContact SG-OG1 3.38Å; C169-T172 VanDerWaalsContact SG-OG1 3.38Å
170	A	95	Very high	85	Confident	70 Å²	70	52.1 Å²	52.1	58%	0.579	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	-34.5	179.6	0	0	0	0	0	112.2	I161 R168	I161-A170 PolarHBondContact O-N 3.4Å; R168-A170 PolarHBondContact O-N 2.99Å
171	A	94.1	Very high	83.2	Confident	12 Å²	12	57.8 Å²	57.8	10%	0.099	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	153.3	176.7	0	0	0	0	0	111.1	I161 C169 Q222	I161-A171 HydrophobicContact CB-CB 4.22Å; I161-A171 HydrophobicContact CD1-CB 4.35Å; I161-A171 PolarHBondContact N-O 2.88Å; I161-A171 PolarHBondContact O-N 2.83Å; C169-A171 PolarHBondContact SG-O 3.27Å; A171-Q222 HydrophobicContact CB-CG 4.21Å
172	T	93.9	Very high	81.8	Confident	40 Å²	40	60 Å²	60	25%	0.245	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	118.8	171.5	-66.3	0	0	0	0	108.3	Q158 L159 K160 C169	Q158-T172 HydrophobicContact CB-CG2 4.15Å; Q158-T172 HydrophobicContact CG-CG2 4.23Å; L159-T172 CarbonylContact O-C 3.29Å; L159-T172 WeakPolarHBondContact O-CA 3.23Å; K160-T172 HydrophobicContact CG-CG2 4.31Å; K160-T172 PolarHBondContact NZ-OG1 3.08Å; C169-T172 PolarHBondContact SG-OG1 3.38Å; C169-T172 VanDerWaalsContact SG-OG1 3.38Å
173	L	92.2	Very high	80.4	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	115.1	178.1	-43.6	178.5	0	0	0	108.5	L159 I161 I205 W217 Q222	L159-L173 HydrophobicContact CB-CB 4.12Å; L159-L173 HydrophobicContact CD1-CB 4.2Å; L159-L173 PolarHBondContact N-O 2.67Å; L159-L173 PolarHBondContact O-N 3.48Å; I161-L173 HydrophobicContact CD1-CD1 4.38Å; L173-I205 HydrophobicContact CD1-CD1 4.29Å; L173-W217 HydrophobicContact CB-CD2 4.4Å; L173-W217 HydrophobicContact CB-CE3 3.87Å; L173-W217 HydrophobicContact CB-CH2 4.3Å; L173-W217 HydrophobicContact CB-CZ3 3.81Å; L173-W217 HydrophobicContact CD1-CB 4.06Å; L173-W217 HydrophobicContact CD1-CD2 4.29Å; L173-W217 HydrophobicContact CD1-CE3 4.21Å; L173-W217 HydrophobicContact CD1-CG 4.25Å; L173-Q222 HydrophobicContact CD2-CB 3.46Å; L173-Q222 VanDerWaalsContact CD2-CB 3.46Å; L173-Q222 HydrophobicContact CD2-CG 3.75Å
174	G	85.3	Confident	79.4	Confident	3 Å²	3	71.3 Å²	71.3	3%	0.031	39%	0.391	C	S	.	.	S	Bend	trans	-161.6	-157.8	-172.5	0	0	0	0	0	113.4	N176 C177 G188	G174-N176 PolarHBondContact O-N 2.96Å; G174-C177 PolarHBondContact N-SG 2.95Å; G174-C177 WeakPolarHBondContact O-CB 3.44Å; G174-C177 PolarHBondContact O-N 2.86Å; G174-C177 VanDerWaalsContact O-N 3.11Å; G174-G188 WeakPolarHBondContact O-CA 3.37Å
175	L	72.2	Confident	78.8	Confident	78 Å²	78	71.5 Å²	71.5	41%	0.408	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-54.3	-36.9	-176.5	-70.1	172.9	0	0	0	113.6	C177 H189 R190	L175-C177 PolarHBondContact O-N 3.41Å; L175-H189 WeakPolarHBondContact CD2-O 3.49Å; L175-R190 VanDerWaalsContact CD2-CD 3.41Å
176	N	63.9	Low	78.3	Confident	160 Å²	160	66.5 Å²	66.5	86%	0.856	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-80.2	-0.8	-175.5	-62.3	-16.5	0	0	0	113.7	G174 T178	G174-N176 PolarHBondContact O-N 2.96Å; N176-T178 PolarHBondContact O-N 3.34Å
177	C	58.9	Low	77.8	Confident	30 Å²	30	63.5 Å²	63.5	20%	0.203	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-81.8	9.2	-177.1	-65.4	0	0	0	0	114.3	G174 L175 W217 Q222	G174-C177 PolarHBondContact N-SG 2.95Å; G174-C177 WeakPolarHBondContact O-CB 3.44Å; G174-C177 PolarHBondContact O-N 2.86Å; G174-C177 VanDerWaalsContact O-N 3.11Å; L175-C177 PolarHBondContact O-N 3.41Å; C177-W217 HydrophobicContact CB-CZ3 4.32Å; C177-Q222 WeakPolarHBondContact CB-O 3.28Å
178	T	58.2	Low	77.5	Confident	24 Å²	24	62.8 Å²	62.8	15%	0.147	34%	0.34	C	S	.	.	S	Bend	trans	-155.1	161.2	173.8	57.5	0	0	0	0	111.4	N176 S180 G187	N176-T178 PolarHBondContact O-N 3.34Å; T178-S180 PolarHBondContact O-N 3.04Å; T178-G187 VanDerWaalsContact CG2-CA 3.47Å; T178-G187 WeakPolarHBondContact OG1-CA 2.94Å
179	D	53	Low	77.3	Confident	97 Å²	97	54.4 Å²	54.4	52%	0.519	31%	0.309	S	S	.	.			trans	-61.4	106.5	172.8	-174.4	-4.4	0	0	0	111.3	N181 N182	D179-N181 PolarHBondContact O-N 2.79Å; D179-N181 WeakPolarHBondContact OD1-CB 3.32Å; D179-N181 PolarHBondContact OD1-N 3.11Å; D179-N181 PolarHBondContact OD1-ND2 2.61Å; D179-N182 PolarHBondContact O-N 2.8Å
180	S	54.4	Low	76.8	Confident	95 Å²	95	57.4 Å²	57.4	66%	0.664	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-16.2	-178.6	60.1	0	0	0	0	113.8	T178	T178-S180 PolarHBondContact O-N 3.04Å
181	N	58.5	Low	76.6	Confident	137 Å²	137	55.5 Å²	55.5	73%	0.733	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-22.1	-176.7	-61.5	-37.2	0	0	0	113	D179 K183	D179-N181 PolarHBondContact O-N 2.79Å; D179-N181 WeakPolarHBondContact OD1-CB 3.32Å; D179-N181 PolarHBondContact OD1-N 3.11Å; D179-N181 PolarHBondContact OD1-ND2 2.61Å; N181-K183 PolarHBondContact O-N 3.47Å
182	N	68.2	Low	76.5	Confident	56 Å²	56	55.1 Å²	55.1	30%	0.299	29%	0.291	S	S	.	.			trans	-89.2	104.3	178.9	-174.5	-2.6	0	0	0	110.5	D179 N184 E185	D179-N182 PolarHBondContact O-N 2.8Å; N182-N184 PolarHBondContact O-N 2.97Å; N182-N184 VanDerWaalsContact O-N 3.1Å; N182-N184 WeakPolarHBondContact OD1-CB 3.34Å; N182-N184 PolarHBondContact OD1-N 3.41Å; N182-E185 HydrophobicContact CB-CB 4.24Å; N182-E185 HydrophobicContact CB-CG 3.66Å; N182-E185 WeakPolarHBondContact O-CB 3.36Å; N182-E185 PolarHBondContact O-N 2.79Å
183	K	68.9	Low	76.6	Confident	188 Å²	188	53.2 Å²	53.2	82%	0.817	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.2	178.1	-66.3	-176.9	179.7	178.1	0	114.3	N181 Q276	N181-K183 PolarHBondContact O-N 3.47Å; K183-Q276 PolarHBondContact O-NE2 2.91Å
184	N	75.7	Confident	76.7	Confident	87 Å²	87	55.2 Å²	55.2	47%	0.465	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-14.2	175	-65.5	-45.2	0	0	0	112.5	N182 K274	N182-N184 PolarHBondContact O-N 2.97Å; N182-N184 VanDerWaalsContact O-N 3.1Å; N182-N184 WeakPolarHBondContact OD1-CB 3.34Å; N182-N184 PolarHBondContact OD1-N 3.41Å; N184-K274 PolarHBondContact OD1-NZ 2.87Å; N184-K274 VanDerWaalsContact OD1-NZ 3.1Å
185	E	83.8	Confident	77.1	Confident	15 Å²	15	56 Å²	56	7%	0.07	29%	0.293	C	S	.	.	S	Bend	trans	-67.1	136.6	170.2	-75.5	-63.6	140.5	0	0	109.2	N182 T278 S279	N182-E185 HydrophobicContact CB-CB 4.24Å; N182-E185 HydrophobicContact CB-CG 3.66Å; N182-E185 WeakPolarHBondContact O-CB 3.36Å; N182-E185 PolarHBondContact O-N 2.79Å; E185-T278 VanDerWaalsContact OE2-CA 3.28Å; E185-T278 WeakPolarHBondContact OE2-CA 3.41Å; E185-T278 WeakPolarHBondContact OE2-CB 3.17Å; E185-T278 PolarHBondContact OE2-OG1 3.03Å; E185-S279 VanDerWaalsContact OE1-CB 3.29Å; E185-S279 WeakPolarHBondContact OE1-CB 3.17Å; E185-S279 PolarHBondContact OE1-N 2.87Å; E185-S279 PolarHBondContact OE1-OG 2.87Å
186	P	85.1	Confident	78.3	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.006	27%	0.274	C	S	.	.			trans	-64.2	-54.1	178.8	25.7	-33.1	0	0	0	110	R215 C224 A227 Q276	P186-R215 PolarHBondContact O-NH1 2.95Å; P186-R215 PolarHBondContact O-NH2 2.99Å; P186-C224 HydrophobicContact CB-CB 4.37Å; P186-C224 HydrophobicContact CG-CB 4.05Å; P186-C224 WeakPolarHBondContact CG-O 3.46Å; P186-A227 HydrophobicContact CB-CB 3.61Å; P186-Q276 HydrophobicContact CB-CB 4Å
187	G	85.1	Confident	79.7	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.			trans	64.8	-158.6	-178.9	0	0	0	0	0	117.3	T178 R215 C224	T178-G187 VanDerWaalsContact CG2-CA 3.47Å; T178-G187 WeakPolarHBondContact OG1-CA 2.94Å; G187-R215 VanDerWaalsContact O-CZ 3.23Å; G187-R215 PolarHBondContact O-NH1 2.95Å; G187-C224 WeakPolarHBondContact O-CB 3.24Å; G187-C224 PolarHBondContact O-SG 3.42Å; G187-C224 VanDerWaalsContact O-SG 3.38Å
188	G	89.1	Confident	81.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-72.7	165.9	-178.8	0	0	0	0	0	115.7	G174 R190 R215	G174-G188 WeakPolarHBondContact O-CA 3.37Å; G188-R190 PolarHBondContact O-NH1 2.84Å; G188-R215 PolarHBondContact O-NE 2.87Å; G188-R215 PolarHBondContact O-NH2 2.85Å; G188-R215 VanDerWaalsContact O-NH2 3.13Å
189	H	91.4	Very high	82.8	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.227	C	C	.	.			trans	-63.3	144	164.7	-76.5	-73	0	0	0	111	M157 L175 I193 S207 D209 W213 R215 W217	M157-H189 HydrophobicContact CB-CB 4.45Å; L175-H189 WeakPolarHBondContact CD2-O 3.49Å; H189-I193 HydrophobicContact CB-CD1 4.21Å; H189-I193 HydrophobicContact CB-CG1 3.9Å; H189-I193 VanDerWaalsContact CD2-CD1 3.44Å; H189-I193 WeakPolarHBondContact CD2-CD1 3.42Å; H189-I193 VanDerWaalsContact CD2-CG1 3.5Å; H189-I193 WeakPolarHBondContact CD2-CG1 3.39Å; H189-S207 WeakPolarHBondContact NE2-CB 3.19Å; H189-S207 PolarHBondContact NE2-OG 3.31Å; H189-D209 HydrophobicContact CB-CB 4.38Å; H189-D209 IonicContact CE1-OD2 3.68Å; H189-D209 IonicContact CG-OD2 3.9Å; H189-D209 VanDerWaalsContact ND1-CB 3.33Å; H189-D209 WeakPolarHBondContact ND1-CB 3.06Å; H189-D209 VanDerWaalsContact ND1-CG 3.31Å; H189-D209 IonicContact ND1-OD2 3.22Å; H189-D209 PolarHBondContact ND1-OD2 2.86Å; H189-W213 PolarHBondContact CE1-O 2.86Å; H189-R215 VanDerWaalsContact CE1-CD 3.48Å; H189-R215 WeakPolarHBondContact CE1-CD 3.26Å; H189-W217 AromaticContact CD2-CZ2 3.9Å
190	R	86.6	Confident	83.9	Confident	113 Å²	113	44 Å²	44	43%	0.426	23%	0.227	S	C	.	.	S	Bend	trans	-103.2	-4.6	178.8	-59.9	-54.9	-166.2	-92.1	3.3	112.6	M157 L175 G188	M157-R190 VanDerWaalsContact SD-O 3.33Å; L175-R190 VanDerWaalsContact CD2-CD 3.41Å; G188-R190 PolarHBondContact O-NH1 2.84Å
191	T	90.1	Very high	85.2	Confident	29 Å²	29	49.1 Å²	49.1	18%	0.178	23%	0.232	C	C	.	.	S	Bend	trans	-143.5	174.9	174.9	62.2	0	0	0	0	110.4	I193 D209 R210 L211	T191-I193 PolarHBondContact O-N 2.87Å; T191-D209 WeakPolarHBondContact OG1-CB 3.39Å; T191-R210 PolarHBondContact OG1-N 3.19Å; T191-L211 HydrophobicContact CG2-CD1 3.45Å; T191-L211 VanDerWaalsContact CG2-CD1 3.45Å; T191-L211 HydrophobicContact CG2-CD2 4.47Å; T191-L211 HydrophobicContact CG2-CG 3.53Å; T191-L211 PolarHBondContact OG1-N 3.15Å
192	G	91.9	Very high	86.6	Confident	4 Å²	4	43 Å²	43	4%	0.041	20%	0.201	C	C	.	.			trans	-57.4	133.4	-177.9	0	0	0	0	0	112.6	G154 D209 R210	G154-G192 WeakPolarHBondContact O-CA 3.14Å; G192-D209 WeakPolarHBondContact O-CA 3.31Å; G192-D209 WeakPolarHBondContact O-CB 3.5Å; G192-R210 PolarHBondContact O-N 3.22Å
193	I	95.3	Very high	87.5	Confident	0 Å²	0	45 Å²	45	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	118.9	179.9	-56.3	172.3	0	0	0	108.1	Y139 A153 G154 L159 H189 T191 T196 I208	Y139-I193 WeakPolarHBondContact CD2-O 3.22Å; A153-I193 HydrophobicContact CB-CB 3.86Å; A153-I193 HydrophobicContact CB-CD1 3.95Å; A153-I193 HydrophobicContact CB-CG2 3.63Å; G154-I193 WeakPolarHBondContact CA-O 3.44Å; G154-I193 PolarHBondContact O-N 2.85Å; L159-I193 HydrophobicContact CD1-CD1 3.5Å; L159-I193 HydrophobicContact CG-CD1 3.76Å; H189-I193 HydrophobicContact CB-CD1 4.21Å; H189-I193 HydrophobicContact CB-CG1 3.9Å; H189-I193 VanDerWaalsContact CD2-CD1 3.44Å; H189-I193 WeakPolarHBondContact CD2-CD1 3.42Å; H189-I193 VanDerWaalsContact CD2-CG1 3.5Å; H189-I193 WeakPolarHBondContact CD2-CG1 3.39Å; T191-I193 PolarHBondContact O-N 2.87Å; I193-T196 HydrophobicContact CG2-CG2 4.11Å; I193-I208 CarbonylContact C-O 3.31Å; I193-I208 WeakPolarHBondContact CA-O 3.32Å; I193-I208 WeakPolarHBondContact CG2-O 2.96Å
194	L	94.5	Very high	88.5	Confident	42 Å²	42	36.1 Å²	36.1	22%	0.22	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-42	-173.7	-66.4	178.8	0	0	0	112.3	Y139 I208 R210 I248	Y139-L194 HydrophobicContact CD2-CD2 4.34Å; L194-I208 PolarHBondContact N-O 2.98Å; L194-R210 HydrophobicContact CD1-CB 4.49Å; L194-R210 HydrophobicContact CD1-CG 3.89Å; L194-R210 HydrophobicContact CD2-CG 3.61Å; L194-R210 HydrophobicContact CG-CG 3.76Å; L194-I248 WeakPolarHBondContact CD1-O 3.44Å
195	D	95.5	Very high	89.3	Confident	20 Å²	20	32 Å²	32	11%	0.107	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.7	-178.1	-156.1	3.1	0	0	0	111.1	R142 S207 I208 L251	R142-D195 IonicContact CZ-OD1 3.81Å; R142-D195 IonicContact NH1-OD1 3.64Å; R142-D195 PolarHBondContact NH1-OD1 2.96Å; R142-D195 IonicContact NH2-OD1 3.81Å; R142-D195 PolarHBondContact NH2-OD1 3.46Å; R142-D195 IonicContact NH2-OD2 2.78Å; D195-S207 WeakPolarHBondContact O-CA 3.38Å; D195-I208 HydrophobicContact CB-CG2 4Å; D195-I208 PolarHBondContact O-N 2.82Å; D195-L251 HydrophobicContact CB-CB 4.08Å; D195-L251 PolarHBondContact OD2-N 2.86Å
196	T	96	Very high	89.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	164.3	-178.8	54.7	0	0	0	0	110.6	T140 R142 L151 A153 L159 I193 A206	T140-T196 HydrophobicContact CG2-CG2 3.72Å; T140-T196 PolarHBondContact OG1-OG1 2.83Å; R142-T196 PolarHBondContact NH1-O 3.04Å; R142-T196 PolarHBondContact NH1-OG1 2.8Å; R142-T196 PolarHBondContact NH2-O 2.88Å; L151-T196 HydrophobicContact CD2-CG2 4.08Å; A153-T196 HydrophobicContact CB-CG2 3.78Å; L159-T196 HydrophobicContact CD2-CG2 4.08Å; I193-T196 HydrophobicContact CG2-CG2 4.11Å; T196-A206 CarbonylContact C-O 3.53Å; T196-A206 VanDerWaalsContact CA-O 3.24Å; T196-A206 WeakPolarHBondContact CA-O 3.33Å
197	A	94.4	Very high	90.3	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	148.9	164.8	0	0	0	0	0	110.4	I205 A206 L251 I253	A197-I205 WeakPolarHBondContact O-CA 3.23Å; A197-A206 PolarHBondContact N-O 2.73Å; A197-A206 PolarHBondContact O-N 2.9Å; A197-L251 HydrophobicContact CB-CD2 3.27Å; A197-I253 HydrophobicContact CB-CB 3.79Å; A197-I253 HydrophobicContact CB-CD1 3.96Å; A197-I253 HydrophobicContact CB-CG2 3.61Å
198	I	92.2	Very high	90.7	Very high	27 Å²	27	31.2 Å²	31.2	14%	0.138	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.1	-178.7	-60	175.9	0	0	0	107.3	R142 F143 F144 L151	R142-I198 HydrophobicContact CB-CD1 4.06Å; F143-I198 VanDerWaalsContact O-CD1 3.23Å; F143-I198 WeakPolarHBondContact O-CD1 3.24Å; F144-I198 HydrophobicContact CD1-CG2 4.15Å; F144-I198 HydrophobicContact CD2-CD1 3.81Å; F144-I198 HydrophobicContact CE1-CG2 4.37Å; F144-I198 HydrophobicContact CE2-CD1 4.14Å; F144-I198 HydrophobicContact CG-CD1 4.04Å; L151-I198 HydrophobicContact CB-CD1 4.24Å; L151-I198 HydrophobicContact CD2-CG1 4.04Å
199	I	88.8	Confident	91	Very high	9 Å²	9	31.2 Å²	31.2	5%	0.046	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	139.3	-176.3	-60.3	167.4	0	0	0	109.6	R201 G202 R203 N204 A206 L216 I253 A291 L308	I199-R201 PolarHBondContact O-N 2.98Å; I199-G202 WeakPolarHBondContact O-CA 3.41Å; I199-G202 PolarHBondContact O-N 3.17Å; I199-R203 PolarHBondContact O-N 2.84Å; I199-N204 HydrophobicContact CB-CB 4.06Å; I199-N204 WeakPolarHBondContact CB-O 3.48Å; I199-N204 HydrophobicContact CD1-CB 4.05Å; I199-N204 PolarHBondContact N-O 2.61Å; I199-A206 HydrophobicContact CD1-CB 4.28Å; I199-L216 HydrophobicContact CD1-CD1 3.69Å; I199-I253 HydrophobicContact CD1-CD1 3.57Å; I199-I253 HydrophobicContact CG1-CD1 3.21Å; I199-I253 HydrophobicContact CG1-CG1 4.21Å; I199-A291 HydrophobicContact CD1-CB 4.23Å; I199-A291 HydrophobicContact CG1-CB 4.45Å; I199-A291 HydrophobicContact CG2-CB 4.19Å; I199-L308 HydrophobicContact CD1-CD1 3.81Å
200	D	75.5	Confident	90.9	Very high	97 Å²	97	37.5 Å²	37.5	52%	0.519	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	-110.5	-179.9	-172.9	46.6	0	0	0	111
201	R	82.6	Confident	90.9	Very high	202 Å²	202	33.8 Å²	33.8	76%	0.762	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	24.5	173	-62.4	-177.3	175.7	177.6	0.4	112.9	I199	I199-R201 PolarHBondContact O-N 2.98Å
202	G	87.1	Confident	90.9	Very high	8 Å²	8	32.4 Å²	32.4	8%	0.082	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.4	29.3	-170.5	0	0	0	0	0	113.7	I199 N204 V219	I199-G202 WeakPolarHBondContact O-CA 3.41Å; I199-G202 PolarHBondContact O-N 3.17Å; G202-N204 VanDerWaalsContact C-N 3.33Å; G202-V219 WeakPolarHBondContact O-CG2 3.21Å
203	R	87.2	Confident	90.9	Very high	98 Å²	98	33.3 Å²	33.3	37%	0.37	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-44	166.3	-174.7	-178.4	-171.4	92.3	24.9	110.4	I199 V219 E285	I199-R203 PolarHBondContact O-N 2.84Å; R203-V219 WeakPolarHBondContact O-CB 3.44Å; R203-V219 PolarHBondContact O-N 3.2Å; R203-V219 VanDerWaalsContact O-N 3.15Å; R203-E285 IonicContact CZ-OE1 3.55Å; R203-E285 IonicContact CZ-OE2 3.61Å; R203-E285 IonicContact NE-OE2 3.12Å; R203-E285 PolarHBondContact NE-OE2 2.65Å; R203-E285 IonicContact NH1-OE1 4Å; R203-E285 IonicContact NH1-OE2 3.64Å; R203-E285 IonicContact NH2-OE1 3.34Å; R203-E285 PolarHBondContact NH2-OE1 2.61Å; R203-E285 IonicContact NH2-OE2 3.67Å; R203-E285 PolarHBondContact NH2-OE2 3.36Å
204	N	90	Very high	90.8	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	155.3	177.1	-59.6	103.7	0	0	0	111.1	I199 G202 L216 W217 I225	I199-N204 HydrophobicContact CB-CB 4.06Å; I199-N204 WeakPolarHBondContact CB-O 3.48Å; I199-N204 HydrophobicContact CD1-CB 4.05Å; I199-N204 PolarHBondContact N-O 2.61Å; G202-N204 VanDerWaalsContact C-N 3.33Å; N204-L216 HydrophobicContact CB-CD1 3.89Å; N204-W217 WeakPolarHBondContact CA-O 3.24Å; N204-W217 VanDerWaalsContact CB-O 3.32Å; N204-W217 WeakPolarHBondContact CB-O 2.96Å; N204-W217 PolarHBondContact ND2-O 3.37Å; N204-I225 WeakPolarHBondContact ND2-CD1 3.46Å
205	I	93.2	Very high	90.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.4	174.1	-65.6	165.8	0	0	0	107.6	F144 L151 L159 I161 L173 A197 W217 V219	F144-I205 HydrophobicContact CZ-CD1 4.07Å; L151-I205 HydrophobicContact CD1-CD1 3.75Å; L151-I205 HydrophobicContact CD2-CB 4.49Å; L151-I205 HydrophobicContact CD2-CD1 3.91Å; L151-I205 HydrophobicContact CD2-CG1 4.08Å; L151-I205 HydrophobicContact CD2-CG2 3.58Å; L151-I205 HydrophobicContact CG-CD1 4.42Å; L159-I205 HydrophobicContact CD2-CG2 3.69Å; I161-I205 HydrophobicContact CD1-CD1 3.94Å; I161-I205 HydrophobicContact CG1-CD1 4.45Å; L173-I205 HydrophobicContact CD1-CD1 4.29Å; A197-I205 WeakPolarHBondContact O-CA 3.23Å; I205-W217 HydrophobicContact CB-CB 4.26Å; I205-W217 PolarHBondContact N-O 3.27Å; I205-W217 VanDerWaalsContact N-O 3.15Å; I205-W217 PolarHBondContact O-N 3.04Å; I205-V219 HydrophobicContact CD1-CG2 3.46Å; I205-V219 VanDerWaalsContact CD1-CG2 3.46Å; I205-V219 HydrophobicContact CG1-CG2 3.66Å
206	A	93.8	Very high	90.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	146.3	163.6	0	0	0	0	0	109.9	T196 A197 I199 L214 R215 I253 I293	T196-A206 CarbonylContact C-O 3.53Å; T196-A206 VanDerWaalsContact CA-O 3.24Å; T196-A206 WeakPolarHBondContact CA-O 3.33Å; A197-A206 PolarHBondContact N-O 2.73Å; A197-A206 PolarHBondContact O-N 2.9Å; I199-A206 HydrophobicContact CD1-CB 4.28Å; A206-L214 HydrophobicContact CB-CD1 4.38Å; A206-R215 CarbonylContact C-O 3.54Å; A206-R215 VanDerWaalsContact CA-O 3.26Å; A206-R215 WeakPolarHBondContact CA-O 3.37Å; A206-I253 HydrophobicContact CB-CD1 4.13Å; A206-I293 HydrophobicContact CB-CD1 3.32Å
207	S	95.5	Very high	90.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	151.2	175.6	57.4	0	0	0	0	111.9	H189 D195 L214 R215 W217	H189-S207 WeakPolarHBondContact NE2-CB 3.19Å; H189-S207 PolarHBondContact NE2-OG 3.31Å; D195-S207 WeakPolarHBondContact O-CA 3.38Å; S207-L214 CarbonylContact O-C 3.44Å; S207-L214 WeakPolarHBondContact O-CA 3.4Å; S207-R215 PolarHBondContact N-O 2.93Å; S207-R215 PolarHBondContact O-N 2.81Å; S207-W217 PolarHBondContact OG-NE1 2.91Å
208	I	95	Very high	90	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.7	-178	-161.3	148.5	0	0	0	110.9	I193 L194 D195 W213 L214 V230 I248 L251 V295	I193-I208 CarbonylContact C-O 3.31Å; I193-I208 WeakPolarHBondContact CA-O 3.32Å; I193-I208 WeakPolarHBondContact CG2-O 2.96Å; L194-I208 PolarHBondContact N-O 2.98Å; D195-I208 HydrophobicContact CB-CG2 4Å; D195-I208 PolarHBondContact O-N 2.82Å; I208-W213 WeakPolarHBondContact CA-O 2.97Å; I208-L214 HydrophobicContact CD1-CB 4.32Å; I208-V230 HydrophobicContact CD1-CG2 3.98Å; I208-I248 HydrophobicContact CD1-CD1 4.1Å; I208-I248 HydrophobicContact CD1-CG2 3.61Å; I208-I248 HydrophobicContact CG1-CD1 4.22Å; I208-I248 HydrophobicContact CG1-CG2 3.88Å; I208-I248 HydrophobicContact CG2-CG2 4.28Å; I208-L251 HydrophobicContact CB-CD1 4.12Å; I208-L251 HydrophobicContact CG2-CB 4.32Å; I208-L251 HydrophobicContact CG2-CD1 4.2Å; I208-V295 HydrophobicContact CD1-CB 4.34Å; I208-V295 HydrophobicContact CD1-CG1 3.53Å; I208-V295 HydrophobicContact CD1-CG2 3.81Å
209	D	93.5	Very high	89.9	Confident	0 Å²	0	31 Å²	31	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	172.4	178.5	68.9	28.3	0	0	0	113.5	H189 T191 G192 L211 G212 W213	H189-D209 HydrophobicContact CB-CB 4.38Å; H189-D209 IonicContact CE1-OD2 3.68Å; H189-D209 IonicContact CG-OD2 3.9Å; H189-D209 VanDerWaalsContact ND1-CB 3.33Å; H189-D209 WeakPolarHBondContact ND1-CB 3.06Å; H189-D209 VanDerWaalsContact ND1-CG 3.31Å; H189-D209 IonicContact ND1-OD2 3.22Å; H189-D209 PolarHBondContact ND1-OD2 2.86Å; T191-D209 WeakPolarHBondContact OG1-CB 3.39Å; G192-D209 WeakPolarHBondContact O-CA 3.31Å; G192-D209 WeakPolarHBondContact O-CB 3.5Å; D209-L211 PolarHBondContact O-N 2.66Å; D209-L211 PolarHBondContact OD1-N 3.09Å; D209-G212 PolarHBondContact O-N 3.3Å; D209-G212 PolarHBondContact OD1-N 2.75Å; D209-W213 PolarHBondContact N-O 2.54Å; D209-W213 PolarHBondContact OD1-N 2.77Å
210	R	89.9	Confident	89.8	Confident	131 Å²	131	34.4 Å²	34.4	49%	0.494	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-25.1	-179.7	-74	178.3	177.7	-179.9	-0.8	114.9	Y139 T191 G192 L194	Y139-R210 VanDerWaalsContact CE2-NH2 3.28Å; Y139-R210 PolarHBondContact OH-NH2 2.97Å; T191-R210 PolarHBondContact OG1-N 3.19Å; G192-R210 PolarHBondContact O-N 3.22Å; L194-R210 HydrophobicContact CD1-CB 4.49Å; L194-R210 HydrophobicContact CD1-CG 3.89Å; L194-R210 HydrophobicContact CD2-CG 3.61Å; L194-R210 HydrophobicContact CG-CG 3.76Å
211	L	87.5	Confident	90.4	Very high	36 Å²	36	31.5 Å²	31.5	19%	0.188	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.6	176.9	-70.4	-179.8	0	0	0	112.3	T191 D209 T231 S233 A234 P237	T191-L211 HydrophobicContact CG2-CD1 3.45Å; T191-L211 VanDerWaalsContact CG2-CD1 3.45Å; T191-L211 HydrophobicContact CG2-CD2 4.47Å; T191-L211 HydrophobicContact CG2-CG 3.53Å; T191-L211 PolarHBondContact OG1-N 3.15Å; D209-L211 PolarHBondContact O-N 2.66Å; D209-L211 PolarHBondContact OD1-N 3.09Å; L211-T231 PolarHBondContact O-OG1 2.65Å; L211-S233 CarbonylContact O-C 3.51Å; L211-A234 WeakPolarHBondContact O-CA 3.45Å; L211-A234 VanDerWaalsContact O-CB 3.31Å; L211-A234 WeakPolarHBondContact O-CB 3.34Å; L211-A234 PolarHBondContact O-N 3.36Å; L211-P237 HydrophobicContact CD2-CB 4.29Å
212	G	89.4	Confident	90.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.			trans	86.8	35.3	179.8	0	0	0	0	0	115.3	D209 V230	D209-G212 PolarHBondContact O-N 3.3Å; D209-G212 PolarHBondContact OD1-N 2.75Å; G212-V230 WeakPolarHBondContact O-CG2 2.99Å; G212-V230 PolarHBondContact O-N 3.12Å
213	W	91.7	Very high	90.6	Very high	23 Å²	23	25.7 Å²	25.7	9%	0.087	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.5	158.6	-74.7	100.6	0	0	0	110.4	H189 I208 D209 A227 P229 A234 V235 Q276	H189-W213 PolarHBondContact CE1-O 2.86Å; I208-W213 WeakPolarHBondContact CA-O 2.97Å; D209-W213 PolarHBondContact N-O 2.54Å; D209-W213 PolarHBondContact OD1-N 2.77Å; W213-A227 HydrophobicContact CE3-CB 3.6Å; W213-A227 HydrophobicContact CZ3-CB 3.81Å; W213-P229 HydrophobicContact CE3-CB 4.18Å; W213-P229 HydrophobicContact CH2-CB 3.92Å; W213-P229 HydrophobicContact CH2-CG 4.11Å; W213-P229 HydrophobicContact CZ2-CB 4.29Å; W213-P229 HydrophobicContact CZ3-CB 3.86Å; W213-P229 HydrophobicContact CZ3-CG 4.02Å; W213-A234 HydrophobicContact CD2-CB 4.15Å; W213-A234 HydrophobicContact CG-CB 4.21Å; W213-A234 HydrophobicContact CZ2-CB 4.37Å; W213-A234 PolarHBondContact NE1-O 3.28Å; W213-V235 HydrophobicContact CH2-CG2 4.15Å; W213-V235 HydrophobicContact CZ2-CG2 3.8Å; W213-Q276 HydrophobicContact CH2-CG 4.42Å
214	L	92.9	Very high	90.7	Very high	2 Å²	2	21 Å²	21	1%	0.01	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.4	163.3	173.6	60.8	0	0	0	108.3	A206 S207 I208 A227 I228 V230 L251 I293 V295 Y306 L308	A206-L214 HydrophobicContact CB-CD1 4.38Å; S207-L214 CarbonylContact O-C 3.44Å; S207-L214 WeakPolarHBondContact O-CA 3.4Å; I208-L214 HydrophobicContact CD1-CB 4.32Å; L214-A227 CarbonylContact O-C 3.51Å; L214-A227 WeakPolarHBondContact O-CA 3.38Å; L214-I228 HydrophobicContact CB-CB 4.41Å; L214-I228 PolarHBondContact N-O 3.36Å; L214-I228 PolarHBondContact O-N 3.05Å; L214-V230 HydrophobicContact CB-CG1 3.89Å; L214-V230 HydrophobicContact CD2-CG1 4.41Å; L214-L251 HydrophobicContact CD1-CD1 3.59Å; L214-I293 HydrophobicContact CD1-CD1 3.97Å; L214-I293 HydrophobicContact CD1-CG2 4.35Å; L214-I293 HydrophobicContact CD2-CB 4.4Å; L214-I293 HydrophobicContact CD2-CD1 4.24Å; L214-I293 HydrophobicContact CD2-CG2 4.08Å; L214-V295 HydrophobicContact CD2-CG2 4.48Å; L214-Y306 HydrophobicContact CD2-CD2 4.47Å; L214-Y306 HydrophobicContact CD2-CG 4.38Å; L214-L308 HydrophobicContact CD2-CD2 4.17Å
215	R	92.1	Very high	90.6	Very high	4 Å²	4	21 Å²	21	2%	0.015	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	141.1	-179.1	-67.5	-175.9	179.1	-79	-5	111.4	P186 G187 G188 H189 A206 S207 W217 S226 A227	P186-R215 PolarHBondContact O-NH1 2.95Å; P186-R215 PolarHBondContact O-NH2 2.99Å; G187-R215 VanDerWaalsContact O-CZ 3.23Å; G187-R215 PolarHBondContact O-NH1 2.95Å; G188-R215 PolarHBondContact O-NE 2.87Å; G188-R215 PolarHBondContact O-NH2 2.85Å; G188-R215 VanDerWaalsContact O-NH2 3.13Å; H189-R215 VanDerWaalsContact CE1-CD 3.48Å; H189-R215 WeakPolarHBondContact CE1-CD 3.26Å; A206-R215 CarbonylContact C-O 3.54Å; A206-R215 VanDerWaalsContact CA-O 3.26Å; A206-R215 WeakPolarHBondContact CA-O 3.37Å; S207-R215 PolarHBondContact N-O 2.93Å; S207-R215 PolarHBondContact O-N 2.81Å; R215-W217 HydrophobicContact CB-CZ2 4.22Å; R215-S226 WeakPolarHBondContact CA-O 3.39Å; R215-A227 HydrophobicContact CG-CB 4.02Å; R215-A227 VanDerWaalsContact NH1-CB 3.33Å
216	L	91.7	Very high	90.4	Very high	5 Å²	5	21 Å²	21	3%	0.026	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	133.5	170.3	-179.6	61.6	0	0	0	109.3	I199 N204 C224 I225 S226 L308	I199-L216 HydrophobicContact CD1-CD1 3.69Å; N204-L216 HydrophobicContact CB-CD1 3.89Å; L216-C224 CarbonylContact O-C 3.57Å; L216-I225 HydrophobicContact CD2-CB 4.47Å; L216-I225 HydrophobicContact CD2-CD1 4.25Å; L216-I225 HydrophobicContact CG-CB 4.37Å; L216-I225 HydrophobicContact CG-CD1 4.07Å; L216-I225 PolarHBondContact O-N 3.24Å; L216-S226 PolarHBondContact N-O 3Å; L216-S226 PolarHBondContact O-N 3.46Å; L216-L308 HydrophobicContact CD1-CD1 3.92Å
217	W	91.1	Very high	90.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	142.8	-175.8	-55.9	87.6	0	0	0	111.4	L159 L173 C177 H189 N204 I205 S207 R215 T223 C224	L159-W217 HydrophobicContact CD1-CH2 4.26Å; L159-W217 HydrophobicContact CD1-CZ2 3.64Å; L173-W217 HydrophobicContact CB-CD2 4.4Å; L173-W217 HydrophobicContact CB-CE3 3.87Å; L173-W217 HydrophobicContact CB-CH2 4.3Å; L173-W217 HydrophobicContact CB-CZ3 3.81Å; L173-W217 HydrophobicContact CD1-CB 4.06Å; L173-W217 HydrophobicContact CD1-CD2 4.29Å; L173-W217 HydrophobicContact CD1-CE3 4.21Å; L173-W217 HydrophobicContact CD1-CG 4.25Å; C177-W217 HydrophobicContact CB-CZ3 4.32Å; H189-W217 AromaticContact CD2-CZ2 3.9Å; N204-W217 WeakPolarHBondContact CA-O 3.24Å; N204-W217 VanDerWaalsContact CB-O 3.32Å; N204-W217 WeakPolarHBondContact CB-O 2.96Å; N204-W217 PolarHBondContact ND2-O 3.37Å; I205-W217 HydrophobicContact CB-CB 4.26Å; I205-W217 PolarHBondContact N-O 3.27Å; I205-W217 VanDerWaalsContact N-O 3.15Å; I205-W217 PolarHBondContact O-N 3.04Å; S207-W217 PolarHBondContact OG-NE1 2.91Å; R215-W217 HydrophobicContact CB-CZ2 4.22Å; W217-T223 WeakPolarHBondContact CA-O 3.48Å; W217-C224 HydrophobicContact CD2-CB 4.16Å; W217-C224 HydrophobicContact CE3-CB 3.61Å; W217-C224 HydrophobicContact CH2-CB 4.06Å; W217-C224 HydrophobicContact CZ2-CB 4.5Å; W217-C224 HydrophobicContact CZ3-CB 3.56Å
218	D	89.2	Confident	90	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118	163.3	-179.6	-0.6	0	0	0	109	A220 T221 Q222 T223 I225	D218-A220 PolarHBondContact OD1-N 3.41Å; D218-T221 WeakPolarHBondContact CB-OG1 3.48Å; D218-T221 WeakPolarHBondContact OD2-CB 2.95Å; D218-T221 WeakPolarHBondContact OD2-CG2 3Å; D218-T221 PolarHBondContact OD2-OG1 2.77Å; D218-Q222 VanDerWaalsContact O-CA 3.25Å; D218-Q222 WeakPolarHBondContact O-CA 3.13Å; D218-Q222 PolarHBondContact O-N 2.89Å; D218-T223 PolarHBondContact N-O 3.25Å; D218-T223 PolarHBondContact O-N 2.9Å; D218-I225 HydrophobicContact CB-CD1 3.8Å; D218-I225 HydrophobicContact CB-CG1 3.97Å
219	V	89.7	Confident	89.7	Confident	31 Å²	31	21.1 Å²	21.1	19%	0.188	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-37	-178.5	174.5	0	0	0	0	111.6	I161 G202 R203 I205	I161-V219 HydrophobicContact CD1-CB 4.44Å; I161-V219 HydrophobicContact CD1-CG1 3.59Å; I161-V219 HydrophobicContact CD1-CG2 4.19Å; G202-V219 WeakPolarHBondContact O-CG2 3.21Å; R203-V219 WeakPolarHBondContact O-CB 3.44Å; R203-V219 PolarHBondContact O-N 3.2Å; R203-V219 VanDerWaalsContact O-N 3.15Å; I205-V219 HydrophobicContact CD1-CG2 3.46Å; I205-V219 VanDerWaalsContact CD1-CG2 3.46Å; I205-V219 HydrophobicContact CG1-CG2 3.66Å
220	A	88	Confident	89.4	Confident	80 Å²	80	21.3 Å²	21.3	66%	0.661	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-42.5	-174	0	0	0	0	0	111.4	D218	D218-A220 PolarHBondContact OD1-N 3.41Å
221	T	86.5	Confident	89.2	Confident	36 Å²	36	15 Å²	15	22%	0.221	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.2	-176.6	66.1	0	0	0	0	112.4	D218 T223 T282 Q284	D218-T221 WeakPolarHBondContact CB-OG1 3.48Å; D218-T221 WeakPolarHBondContact OD2-CB 2.95Å; D218-T221 WeakPolarHBondContact OD2-CG2 3Å; D218-T221 PolarHBondContact OD2-OG1 2.77Å; T221-T223 PolarHBondContact O-N 2.94Å; T221-T223 PolarHBondContact OG1-OG1 3.01Å; T221-T282 WeakPolarHBondContact CB-O 3.17Å; T221-T282 WeakPolarHBondContact CG2-O 3.2Å; T221-Q284 HydrophobicContact CG2-CB 4.39Å; T221-Q284 HydrophobicContact CG2-CG 4.04Å
222	Q	88.8	Confident	88.7	Confident	79 Å²	79	16.9 Å²	16.9	37%	0.369	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	32.7	-177.1	-56	-179.6	40.6	0	0	112.9	A171 L173 C177 D218	A171-Q222 HydrophobicContact CB-CG 4.21Å; L173-Q222 HydrophobicContact CD2-CB 3.46Å; L173-Q222 VanDerWaalsContact CD2-CB 3.46Å; L173-Q222 HydrophobicContact CD2-CG 3.75Å; C177-Q222 WeakPolarHBondContact CB-O 3.28Å; D218-Q222 VanDerWaalsContact O-CA 3.25Å; D218-Q222 WeakPolarHBondContact O-CA 3.13Å; D218-Q222 PolarHBondContact O-N 2.89Å
223	T	86.6	Confident	88.1	Confident	10 Å²	10	17 Å²	17	6%	0.061	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	142.7	-178.2	59.4	0	0	0	0	111	W217 D218 T221 I225	W217-T223 WeakPolarHBondContact CA-O 3.48Å; D218-T223 PolarHBondContact N-O 3.25Å; D218-T223 PolarHBondContact O-N 2.9Å; T221-T223 PolarHBondContact O-N 2.94Å; T221-T223 PolarHBondContact OG1-OG1 3.01Å; T223-I225 PolarHBondContact O-N 3.42Å
224	C	89.4	Confident	87.4	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	113.9	164.7	-171.2	0	0	0	0	107.6	P186 G187 L216 W217 S226 T278	P186-C224 HydrophobicContact CB-CB 4.37Å; P186-C224 HydrophobicContact CG-CB 4.05Å; P186-C224 WeakPolarHBondContact CG-O 3.46Å; G187-C224 WeakPolarHBondContact O-CB 3.24Å; G187-C224 PolarHBondContact O-SG 3.42Å; G187-C224 VanDerWaalsContact O-SG 3.38Å; L216-C224 CarbonylContact O-C 3.57Å; W217-C224 HydrophobicContact CD2-CB 4.16Å; W217-C224 HydrophobicContact CE3-CB 3.61Å; W217-C224 HydrophobicContact CH2-CB 4.06Å; W217-C224 HydrophobicContact CZ2-CB 4.5Å; W217-C224 HydrophobicContact CZ3-CB 3.56Å; C224-S226 PolarHBondContact SG-O 3.12Å; C224-T278 WeakPolarHBondContact O-CB 3.35Å
225	I	88	Confident	86.6	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.005	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-45.9	-176.7	-62	163.1	0	0	0	110.3	N204 L216 D218 T223 T278 V286	N204-I225 WeakPolarHBondContact ND2-CD1 3.46Å; L216-I225 HydrophobicContact CD2-CB 4.47Å; L216-I225 HydrophobicContact CD2-CD1 4.25Å; L216-I225 HydrophobicContact CG-CB 4.37Å; L216-I225 HydrophobicContact CG-CD1 4.07Å; L216-I225 PolarHBondContact O-N 3.24Å; D218-I225 HydrophobicContact CB-CD1 3.8Å; D218-I225 HydrophobicContact CB-CG1 3.97Å; T223-I225 PolarHBondContact O-N 3.42Å; I225-T278 PolarHBondContact O-N 2.88Å; I225-V286 HydrophobicContact CG2-CG1 4.44Å
226	S	88.6	Confident	85.7	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.007	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	157.2	-177.5	66.2	0	0	0	0	112.4	R215 L216 C224 Q276	R215-S226 WeakPolarHBondContact CA-O 3.39Å; L216-S226 PolarHBondContact N-O 3Å; L216-S226 PolarHBondContact O-N 3.46Å; C224-S226 PolarHBondContact SG-O 3.12Å; S226-Q276 CarbonylContact C-O 3.43Å; S226-Q276 WeakPolarHBondContact CA-O 3.25Å; S226-Q276 WeakPolarHBondContact CB-O 3.37Å
227	A	90.2	Very high	84.3	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	127	171.8	0	0	0	0	0	110.4	P186 W213 L214 R215 V275 Q276	P186-A227 HydrophobicContact CB-CB 3.61Å; W213-A227 HydrophobicContact CE3-CB 3.6Å; W213-A227 HydrophobicContact CZ3-CB 3.81Å; L214-A227 CarbonylContact O-C 3.51Å; L214-A227 WeakPolarHBondContact O-CA 3.38Å; R215-A227 HydrophobicContact CG-CB 4.02Å; R215-A227 VanDerWaalsContact NH1-CB 3.33Å; A227-V275 WeakPolarHBondContact O-CA 3.46Å; A227-Q276 HydrophobicContact CB-CB 4.23Å; A227-Q276 PolarHBondContact N-O 3.31Å; A227-Q276 PolarHBondContact O-N 3.3Å
228	I	90.2	Very high	82.9	Confident	2 Å²	2	36 Å²	36	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	119.7	-177.6	-57	174.1	0	0	0	107.6	L214 V230 Y273 V275 Y306 L308	L214-I228 HydrophobicContact CB-CB 4.41Å; L214-I228 PolarHBondContact N-O 3.36Å; L214-I228 PolarHBondContact O-N 3.05Å; I228-V230 HydrophobicContact CG2-CG1 4.27Å; I228-V230 PolarHBondContact O-N 2.87Å; I228-Y273 HydrophobicContact CG2-CE1 4.19Å; I228-Y273 WeakPolarHBondContact CG2-OH 3.5Å; I228-V275 HydrophobicContact CG1-CG1 4.04Å; I228-V275 HydrophobicContact CG1-CG2 4.15Å; I228-V275 HydrophobicContact CG2-CG2 4.38Å; I228-Y306 HydrophobicContact CG2-CD1 4.25Å; I228-Y306 HydrophobicContact CG2-CE1 4.39Å; I228-L308 HydrophobicContact CD1-CD2 4.05Å
229	P	89.1	Confident	81.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	114.4	174	30.3	-29.7	0	0	0	108.8	W213 A234 V235 Y273	W213-P229 HydrophobicContact CE3-CB 4.18Å; W213-P229 HydrophobicContact CH2-CB 3.92Å; W213-P229 HydrophobicContact CH2-CG 4.11Å; W213-P229 HydrophobicContact CZ2-CB 4.29Å; W213-P229 HydrophobicContact CZ3-CB 3.86Å; W213-P229 HydrophobicContact CZ3-CG 4.02Å; P229-A234 HydrophobicContact CB-CB 3.77Å; P229-V235 HydrophobicContact CB-CG2 3.67Å; P229-V235 HydrophobicContact CG-CG2 4.16Å; P229-Y273 HydrophobicContact CG-CD1 4.29Å; P229-Y273 HydrophobicContact CG-CD2 4.4Å; P229-Y273 HydrophobicContact CG-CG 4.18Å; P229-Y273 VanDerWaalsContact O-CD2 3.24Å; P229-Y273 WeakPolarHBondContact O-CD2 3.35Å; P229-Y273 WeakPolarHBondContact O-CE2 3.41Å
230	V	87.6	Confident	79.5	Confident	3 Å²	3	41.7 Å²	41.7	2%	0.018	22%	0.223	C	C	.	.			trans	-96.7	-9.3	-178.5	-60	0	0	0	0	113.1	I208 G212 L214 I228 I248 V295 R304 Y306	I208-V230 HydrophobicContact CD1-CG2 3.98Å; G212-V230 WeakPolarHBondContact O-CG2 2.99Å; G212-V230 PolarHBondContact O-N 3.12Å; L214-V230 HydrophobicContact CB-CG1 3.89Å; L214-V230 HydrophobicContact CD2-CG1 4.41Å; I228-V230 HydrophobicContact CG2-CG1 4.27Å; I228-V230 PolarHBondContact O-N 2.87Å; V230-I248 HydrophobicContact CG2-CD1 3.42Å; V230-I248 VanDerWaalsContact CG2-CD1 3.42Å; V230-I248 HydrophobicContact CG2-CG1 4.34Å; V230-V295 HydrophobicContact CG2-CG1 4.48Å; V230-R304 PolarHBondContact O-NH1 3.28Å; V230-Y306 HydrophobicContact CB-CE1 4.42Å; V230-Y306 HydrophobicContact CB-CE2 4.12Å; V230-Y306 WeakPolarHBondContact CB-OH 3.12Å; V230-Y306 HydrophobicContact CG1-CD1 4.31Å; V230-Y306 HydrophobicContact CG1-CD2 4.23Å; V230-Y306 HydrophobicContact CG1-CE1 3.74Å; V230-Y306 HydrophobicContact CG1-CE2 3.64Å
231	T	84.2	Confident	77.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-136	159.7	173.4	66.3	0	0	0	0	110.3	L211 S233 A234 E246 I248 W272	L211-T231 PolarHBondContact O-OG1 2.65Å; T231-S233 VanDerWaalsContact C-N 3.25Å; T231-S233 PolarHBondContact O-N 2.75Å; T231-A234 VanDerWaalsContact O-CB 3.24Å; T231-A234 WeakPolarHBondContact O-CB 3.43Å; T231-A234 PolarHBondContact O-N 2.86Å; T231-E246 HydrophobicContact CG2-CB 3.68Å; T231-I248 HydrophobicContact CG2-CD1 3.64Å; T231-I248 HydrophobicContact CG2-CG1 3.9Å; T231-W272 WeakPolarHBondContact O-CZ3 3.05Å
232	I	77.2	Confident	75.6	Confident	74 Å²	74	46.7 Å²	46.7	38%	0.379	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-64.7	-33.8	176.5	-62.7	170	0	0	0	111.2	A234 V235 K236 W272	I232-A234 PolarHBondContact O-N 2.85Å; I232-A234 VanDerWaalsContact O-N 3.15Å; I232-V235 PolarHBondContact O-N 3.09Å; I232-V235 VanDerWaalsContact O-N 3.14Å; I232-K236 PolarHBondContact O-N 3.48Å; I232-W272 HydrophobicContact CD1-CZ2 4.4Å; I232-W272 HydrophobicContact CG1-CD2 3.98Å; I232-W272 HydrophobicContact CG1-CE3 4.18Å; I232-W272 HydrophobicContact CG1-CH2 3.84Å; I232-W272 HydrophobicContact CG1-CZ2 3.62Å; I232-W272 HydrophobicContact CG1-CZ3 4.12Å
233	S	77.8	Confident	73.4	Confident	4 Å²	4	47.8 Å²	47.8	3%	0.028	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-56.2	-28.5	178	-52.9	0	0	0	0	112.9	L211 T231 V235 I240 L245	L211-S233 CarbonylContact O-C 3.51Å; T231-S233 VanDerWaalsContact C-N 3.25Å; T231-S233 PolarHBondContact O-N 2.75Å; S233-V235 PolarHBondContact O-N 3.22Å; S233-I240 WeakPolarHBondContact OG-CD1 3.5Å; S233-L245 WeakPolarHBondContact OG-CD2 3.42Å
234	A	77.4	Confident	71.8	Confident	7 Å²	7	53.3 Å²	53.3	6%	0.058	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-57.5	-39.7	179	0	0	0	0	0	111.8	L211 W213 P229 T231 I232	L211-A234 WeakPolarHBondContact O-CA 3.45Å; L211-A234 VanDerWaalsContact O-CB 3.31Å; L211-A234 WeakPolarHBondContact O-CB 3.34Å; L211-A234 PolarHBondContact O-N 3.36Å; W213-A234 HydrophobicContact CD2-CB 4.15Å; W213-A234 HydrophobicContact CG-CB 4.21Å; W213-A234 HydrophobicContact CZ2-CB 4.37Å; W213-A234 PolarHBondContact NE1-O 3.28Å; P229-A234 HydrophobicContact CB-CB 3.77Å; T231-A234 VanDerWaalsContact O-CB 3.24Å; T231-A234 WeakPolarHBondContact O-CB 3.43Å; T231-A234 PolarHBondContact O-N 2.86Å; I232-A234 PolarHBondContact O-N 2.85Å; I232-A234 VanDerWaalsContact O-N 3.15Å
235	V	75.2	Confident	70	Confident	61 Å²	61	57.7 Å²	57.7	37%	0.37	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-26.9	-171.2	-170.3	0	0	0	0	112	W213 P229 I232 S233 W272	W213-V235 HydrophobicContact CH2-CG2 4.15Å; W213-V235 HydrophobicContact CZ2-CG2 3.8Å; P229-V235 HydrophobicContact CB-CG2 3.67Å; P229-V235 HydrophobicContact CG-CG2 4.16Å; I232-V235 PolarHBondContact O-N 3.09Å; I232-V235 VanDerWaalsContact O-N 3.14Å; S233-V235 PolarHBondContact O-N 3.22Å; V235-W272 WeakPolarHBondContact CG2-O 3.43Å
236	K	74.3	Confident	68.7	Low	90 Å²	90	59.6 Å²	59.6	39%	0.391	33%	0.332	S	S	.	.			trans	-129.2	67.2	-177.5	-65.5	-175.1	-178.1	176.6	0	112.4	I232 Y238 T239	I232-K236 PolarHBondContact O-N 3.48Å; K236-Y238 VanDerWaalsContact C-N 3.3Å; K236-Y238 PolarHBondContact O-N 2.87Å; K236-T239 PolarHBondContact O-N 2.83Å
237	P	61.9	Low	68.2	Low	53 Å²	53	65.4 Å²	65.4	34%	0.344	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-31.3	-173.9	23.7	-33.3	0	0	0	113.8	L211	L211-P237 HydrophobicContact CD2-CB 4.29Å
238	Y	62.1	Low	67.9	Low	221 Å²	221	65.7 Å²	65.7	87%	0.867	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-7	-173.9	-54.5	-69.4	0	0	0	115	K236	K236-Y238 VanDerWaalsContact C-N 3.3Å; K236-Y238 PolarHBondContact O-N 2.87Å
239	T	53.6	Low	67.8	Low	102 Å²	102	67.5 Å²	67.5	63%	0.626	37%	0.372	S	S	*	.			trans	-88.9	-11.7	-174	-40.6	0	0	0	0	112.7	K236 S241	K236-T239 PolarHBondContact O-N 2.83Å; T239-S241 PolarHBondContact O-N 3.33Å
240	I	53	Low	67.9	Low	52 Å²	52	68 Å²	68	27%	0.267	38%	0.375	S	S	.	.			trans	-82.4	87.6	-177.5	-55.4	169.5	0	0	0	108	S233 S242 T243 L245	S233-I240 WeakPolarHBondContact OG-CD1 3.5Å; I240-S242 PolarHBondContact O-N 2.67Å; I240-T243 WeakPolarHBondContact CG2-O 3.3Å; I240-L245 HydrophobicContact CD1-CD2 3.75Å
241	S	47.5	Very low	68.2	Low	117 Å²	117	68.3 Å²	68.3	82%	0.818	38%	0.376	S	S	*	.			trans	-75.1	-10.4	-168	71.9	0	0	0	0	115.9	T239	T239-S241 PolarHBondContact O-N 3.33Å
242	S	44.1	Very low	68.6	Low	104 Å²	104	68.8 Å²	68.8	73%	0.727	38%	0.381	S	S	*	.	S	Bend	trans	-171.6	6.4	177.6	56.6	0	0	0	0	118	I240	I240-S242 PolarHBondContact O-N 2.67Å
243	T	43.9	Very low	69.2	Low	101 Å²	101	67.2 Å²	67.2	62%	0.62	37%	0.372	S	S	*	.	S	Bend	trans	-128.4	112.3	-171.7	50	0	0	0	0	111.4	I240 L245	I240-T243 WeakPolarHBondContact CG2-O 3.3Å; T243-L245 PolarHBondContact O-N 3.38Å
244	V	52.1	Low	69.6	Low	127 Å²	127	69 Å²	69	77%	0.77	38%	0.379	S	S	*	.			trans	21.9	97.6	161.7	-170.1	0	0	0	0	113.5	E246	V244-E246 PolarHBondContact O-N 2.71Å; V244-E246 VanDerWaalsContact O-N 3.17Å
245	L	52.9	Low	69.6	Low	91 Å²	91	74.8 Å²	74.8	48%	0.476	40%	0.402	S	S	.	.			trans	-51.1	126.3	166.7	-72.2	164.9	0	0	0	107.4	S233 I240 T243 E247	S233-L245 WeakPolarHBondContact OG-CD2 3.42Å; I240-L245 HydrophobicContact CD1-CD2 3.75Å; T243-L245 PolarHBondContact O-N 3.38Å; L245-E247 VanDerWaalsContact C-N 3.35Å; L245-E247 PolarHBondContact O-N 3.38Å
246	E	60.8	Low	69.3	Low	42 Å²	42	73 Å²	73	20%	0.196	39%	0.39	C	S	.	.			trans	-60.5	105	168.8	-61.9	-157.1	129.7	0	0	107.1	T231 V244 T299 R304	T231-E246 HydrophobicContact CG2-CB 3.68Å; V244-E246 PolarHBondContact O-N 2.71Å; V244-E246 VanDerWaalsContact O-N 3.17Å; E246-T299 VanDerWaalsContact CA-OG1 3.29Å; E246-T299 WeakPolarHBondContact CA-OG1 3.45Å; E246-T299 WeakPolarHBondContact CB-OG1 3.47Å; E246-T299 HydrophobicContact CG-CG2 4.5Å; E246-T299 WeakPolarHBondContact CG-OG1 3.36Å; E246-R304 IonicContact OE1-CZ 3.81Å; E246-R304 IonicContact OE1-NH1 3.78Å; E246-R304 IonicContact OE1-NH2 2.87Å; E246-R304 PolarHBondContact OE1-NH2 2.88Å; E246-R304 IonicContact OE2-CZ 3.68Å; E246-R304 IonicContact OE2-NH1 2.9Å; E246-R304 PolarHBondContact OE2-NH1 3.26Å; E246-R304 IonicContact OE2-NH2 3.46Å; E246-R304 PolarHBondContact OE2-NH2 2.84Å
247	E	76.3	Confident	68.5	Low	122 Å²	122	73.2 Å²	73.2	57%	0.57	40%	0.403	S	S	*	.			trans	-81.7	139.3	178.7	-67.6	-174.5	172.3	0	0	108.8	L245 T297 G298	L245-E247 VanDerWaalsContact C-N 3.35Å; L245-E247 PolarHBondContact O-N 3.38Å; E247-T297 CarbonylContact O-C 3.52Å; E247-G298 WeakPolarHBondContact O-CA 3.15Å; E247-G298 PolarHBondContact O-N 2.88Å
248	I	85.4	Confident	68.3	Low	7 Å²	7	73.2 Å²	73.2	4%	0.036	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	147.5	169.2	-67.4	149.8	0	0	0	107.4	L194 I208 V230 T231 V295	L194-I248 WeakPolarHBondContact CD1-O 3.44Å; I208-I248 HydrophobicContact CD1-CD1 4.1Å; I208-I248 HydrophobicContact CD1-CG2 3.61Å; I208-I248 HydrophobicContact CG1-CD1 4.22Å; I208-I248 HydrophobicContact CG1-CG2 3.88Å; I208-I248 HydrophobicContact CG2-CG2 4.28Å; V230-I248 HydrophobicContact CG2-CD1 3.42Å; V230-I248 VanDerWaalsContact CG2-CD1 3.42Å; V230-I248 HydrophobicContact CG2-CG1 4.34Å; T231-I248 HydrophobicContact CG2-CD1 3.64Å; T231-I248 HydrophobicContact CG2-CG1 3.9Å; I248-V295 HydrophobicContact CG1-CG1 4.22Å; I248-V295 HydrophobicContact CG2-CG1 3.61Å
249	T	87.1	Confident	68.2	Low	40 Å²	40	63.8 Å²	63.8	25%	0.245	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-36.2	-171.5	52.9	0	0	0	0	114.5	G296 S327 V328	T249-G296 PolarHBondContact N-O 2.77Å; T249-G296 VanDerWaalsContact N-O 3.13Å; T249-G296 PolarHBondContact OG1-O 2.7Å; T249-S327 WeakPolarHBondContact CG2-OG 3.42Å; T249-V328 VanDerWaalsContact CB-O 3.3Å; T249-V328 WeakPolarHBondContact CB-O 3.36Å; T249-V328 PolarHBondContact OG1-O 2.76Å
250	C	91.9	Very high	68.1	Low	11 Å²	11	63.3 Å²	63.3	7%	0.074	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	161.6	-172.1	60.8	0	0	0	0	112.3	G296	C250-G296 PolarHBondContact O-N 3.38Å
251	L	93.7	Very high	68.2	Low	8 Å²	8	62.6 Å²	62.6	4%	0.042	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	135.2	179.2	-170.7	147.3	0	0	0	110.2	D195 A197 I208 L214 I293 A294	D195-L251 HydrophobicContact CB-CB 4.08Å; D195-L251 PolarHBondContact OD2-N 2.86Å; A197-L251 HydrophobicContact CB-CD2 3.27Å; I208-L251 HydrophobicContact CB-CD1 4.12Å; I208-L251 HydrophobicContact CG2-CB 4.32Å; I208-L251 HydrophobicContact CG2-CD1 4.2Å; L214-L251 HydrophobicContact CD1-CD1 3.59Å; L251-I293 HydrophobicContact CD1-CG2 3.79Å; L251-I293 HydrophobicContact CD2-CG2 4.15Å; L251-I293 HydrophobicContact CG-CG2 3.72Å; L251-A294 WeakPolarHBondContact CA-O 3.38Å
252	A	92.5	Very high	68.4	Low	11 Å²	11	64.8 Å²	64.8	9%	0.091	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.6	166.8	0	0	0	0	0	110.2	I293 A294 C331 F333	A252-I293 WeakPolarHBondContact O-CA 3.33Å; A252-A294 HydrophobicContact CB-CB 4.24Å; A252-A294 PolarHBondContact N-O 3.38Å; A252-A294 PolarHBondContact O-N 2.93Å; A252-C331 WeakPolarHBondContact CB-O 3.43Å; A252-F333 HydrophobicContact CB-CD2 4.08Å; A252-F333 HydrophobicContact CB-CE2 4.2Å
253	I	90.6	Very high	68.6	Low	40 Å²	40	66.1 Å²	66.1	21%	0.205	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.3	-175.9	-159.3	146.3	0	0	0	111.4	A197 I199 A206 A291 L292 I293	A197-I253 HydrophobicContact CB-CB 3.79Å; A197-I253 HydrophobicContact CB-CD1 3.96Å; A197-I253 HydrophobicContact CB-CG2 3.61Å; I199-I253 HydrophobicContact CD1-CD1 3.57Å; I199-I253 HydrophobicContact CG1-CD1 3.21Å; I199-I253 HydrophobicContact CG1-CG1 4.21Å; A206-I253 HydrophobicContact CB-CD1 4.13Å; I253-A291 HydrophobicContact CD1-CB 4.21Å; I253-A291 HydrophobicContact CG1-CB 4.15Å; I253-L292 WeakPolarHBondContact CA-O 3.34Å; I253-I293 HydrophobicContact CD1-CD1 3.69Å; I253-I293 HydrophobicContact CD1-CG1 3.62Å; I253-I293 HydrophobicContact CG1-CG1 3.93Å
254	R	86.2	Confident	69	Low	42 Å²	42	63.1 Å²	63.1	16%	0.158	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	146.7	168.8	158.3	167.1	-93.1	-174.3	-19.1	109.8	A291 L292 F333 P334 M359 D360	R254-A291 CarbonylContact O-C 3.58Å; R254-A291 VanDerWaalsContact O-CA 3.31Å; R254-A291 WeakPolarHBondContact O-CA 3.4Å; R254-L292 PolarHBondContact N-O 2.98Å; R254-L292 PolarHBondContact O-N 2.91Å; R254-F333 HydrophobicContact CB-CB 4.05Å; R254-F333 HydrophobicContact CB-CD1 4.33Å; R254-F333 HydrophobicContact CB-CD2 3.67Å; R254-F333 HydrophobicContact CB-CE2 4.18Å; R254-F333 HydrophobicContact CB-CG 3.76Å; R254-P334 PolarHBondContact NH2-O 2.84Å; R254-M359 PolarHBondContact NH1-O 2.73Å; R254-M359 PolarHBondContact NH2-O 2.84Å; R254-D360 PolarHBondContact NH1-O 2.83Å
255	K	77.3	Confident	68.8	Low	128 Å²	128	63.2 Å²	63.2	56%	0.557	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	126.4	165.8	-166.7	175.3	-173.7	173.6	0	109.6	D290	K255-D290 CarbonylContact C-O 3.54Å; K255-D290 WeakPolarHBondContact CE-OD1 3.37Å; K255-D290 WeakPolarHBondContact CE-OD2 3.34Å
256	H	68.8	Low	68.4	Low	24 Å²	24	64.4 Å²	64.4	11%	0.111	37%	0.368	C	S	.	.			trans	-149.6	115.4	178.2	-168.3	-58.8	0	0	0	110.2	G258 L259 D290 L292 Y361	H256-G258 PolarHBondContact CE1-O 2.97Å; H256-G258 PolarHBondContact O-N 3.01Å; H256-L259 WeakPolarHBondContact CE1-CD2 3.37Å; H256-L259 VanDerWaalsContact CE1-CG 3.43Å; H256-L259 WeakPolarHBondContact CE1-CG 3.33Å; H256-L259 WeakPolarHBondContact ND1-CG 3.41Å; H256-L259 WeakPolarHBondContact NE2-CD2 3.31Å; H256-D290 CarbonylContact C-O 3.54Å; H256-D290 VanDerWaalsContact C-O 3.32Å; H256-D290 PolarHBondContact N-O 3.34Å; H256-D290 CarbonylContact O-C 3.54Å; H256-L292 HydrophobicContact CB-CB 4.28Å; H256-Y361 AromaticContact NE2-CD1 3.77Å; H256-Y361 AromaticContact NE2-CE1 3.24Å; H256-Y361 WeakPolarHBondContact NE2-CE1 3.27Å
257	S	57.4	Low	67.9	Low	94 Å²	94	66.8 Å²	66.8	66%	0.657	38%	0.381	S	S	*	.	S	Bend	trans	-85.9	107.2	175.2	58.9	0	0	0	0	110.8
258	G	56.7	Low	66.6	Low	53 Å²	53	65.7 Å²	65.7	55%	0.546	38%	0.383	S	S	.	.			trans	64.8	92.7	169.3	0	0	0	0	0	113.5	H256	H256-G258 PolarHBondContact CE1-O 2.97Å; H256-G258 PolarHBondContact O-N 3.01Å
259	L	60.7	Low	65	Low	23 Å²	23	71.2 Å²	71.2	12%	0.12	42%	0.422	C	S	.	.			trans	-78	133.6	171.8	-79	153.1	0	0	0	110.1	H256 I261 L292 Y361 I377	H256-L259 WeakPolarHBondContact CE1-CD2 3.37Å; H256-L259 VanDerWaalsContact CE1-CG 3.43Å; H256-L259 WeakPolarHBondContact CE1-CG 3.33Å; H256-L259 WeakPolarHBondContact ND1-CG 3.41Å; H256-L259 WeakPolarHBondContact NE2-CD2 3.31Å; L259-I261 HydrophobicContact CB-CB 4.16Å; L259-I261 HydrophobicContact CB-CD1 3.39Å; L259-I261 HydrophobicContact CB-CG1 3.59Å; L259-I261 HydrophobicContact CD1-CD1 3.31Å; L259-I261 HydrophobicContact CD1-CG1 4.38Å; L259-I261 HydrophobicContact CD2-CD1 4.06Å; L259-I261 HydrophobicContact CD2-CG1 4.34Å; L259-I261 HydrophobicContact CG-CD1 3.7Å; L259-I261 HydrophobicContact CG-CG1 4.26Å; L259-I261 PolarHBondContact O-N 2.94Å; L259-L292 HydrophobicContact CD1-CB 4.34Å; L259-L292 HydrophobicContact CD1-CD1 3.55Å; L259-L292 HydrophobicContact CD1-CD2 3.7Å; L259-L292 HydrophobicContact CD1-CG 4.05Å; L259-Y361 HydrophobicContact CD2-CD1 4.1Å; L259-Y361 HydrophobicContact CD2-CE1 4.11Å; L259-I377 HydrophobicContact CD1-CD1 4.45Å; L259-I377 HydrophobicContact CD2-CD1 3.55Å; L259-I377 HydrophobicContact CD2-CG1 4.18Å
260	P	51.6	Low	63.6	Low	92 Å²	92	72.8 Å²	72.8	60%	0.597	43%	0.429	S	S	*	.			trans	-77	61.5	163.9	33.8	-32.4	0	0	0	108.5
261	I	53.9	Low	62.2	Low	37 Å²	37	77.4 Å²	77.4	19%	0.19	46%	0.461	C	S	.	.			trans	-84.2	134.4	-177.8	-84.5	163.1	0	0	0	110.4	L259 T263 V316	L259-I261 HydrophobicContact CB-CB 4.16Å; L259-I261 HydrophobicContact CB-CD1 3.39Å; L259-I261 HydrophobicContact CB-CG1 3.59Å; L259-I261 HydrophobicContact CD1-CD1 3.31Å; L259-I261 HydrophobicContact CD1-CG1 4.38Å; L259-I261 HydrophobicContact CD2-CD1 4.06Å; L259-I261 HydrophobicContact CD2-CG1 4.34Å; L259-I261 HydrophobicContact CG-CD1 3.7Å; L259-I261 HydrophobicContact CG-CG1 4.26Å; L259-I261 PolarHBondContact O-N 2.94Å; I261-T263 PolarHBondContact O-N 3.41Å; I261-V316 HydrophobicContact CD1-CB 4.05Å; I261-V316 HydrophobicContact CD1-CG2 3.64Å; I261-V316 HydrophobicContact CG2-CB 4.11Å; I261-V316 WeakPolarHBondContact CG2-O 3.15Å
262	Q	52.2	Low	61	Low	163 Å²	163	79.1 Å²	79.1	76%	0.762	47%	0.467	S	S	*	.			trans	-64.8	113.1	162.1	-74.5	179.3	-4.5	0	0	108	A264	Q262-A264 PolarHBondContact O-N 2.86Å
263	T	49.7	Very low	60.2	Low	133 Å²	133	79.5 Å²	79.5	82%	0.816	47%	0.466	S	S	*	.			trans	-39.9	132.1	177.4	45.8	0	0	0	0	112.6	I261	I261-T263 PolarHBondContact O-N 3.41Å
264	A	51.4	Low	59.8	Low	37 Å²	37	83.4 Å²	83.4	31%	0.306	48%	0.482	S	S	.	.			trans	-38.6	158.7	176.2	0	0	0	0	0	115.9	Q262 C315	Q262-A264 PolarHBondContact O-N 2.86Å; A264-C315 WeakPolarHBondContact CB-O 3.25Å
265	D	47.8	Very low	59.8	Low	130 Å²	130	82.6 Å²	82.6	70%	0.695	48%	0.482	S	S	*	.	S	Bend	trans	-37.5	141.5	164.6	-85.2	-37.7	0	0	0	111.5	I267	D265-I267 PolarHBondContact O-N 2.72Å
266	P	43.7	Very low	60.2	Low	115 Å²	115	78.5 Å²	78.5	75%	0.747	46%	0.464	S	S	*	.			trans	-57.4	110.6	-173.8	24.1	-32.5	0	0	0	108.5	T268	P266-T268 VanDerWaalsContact C-N 3.34Å; P266-T268 PolarHBondContact O-N 2.81Å
267	I	50.3	Low	61	Low	92 Å²	92	81.4 Å²	81.4	47%	0.472	48%	0.478	S	S	.	.			trans	-50.7	105.4	167	-65.2	163.3	0	0	0	105.5	D265 S269 K313	D265-I267 PolarHBondContact O-N 2.72Å; I267-S269 PolarHBondContact O-N 3.44Å; I267-K313 HydrophobicContact CD1-CB 3.95Å; I267-K313 HydrophobicContact CD1-CG 3.97Å; I267-K313 WeakPolarHBondContact CD1-O 3.43Å; I267-K313 HydrophobicContact CG1-CG 4.21Å; I267-K313 HydrophobicContact CG2-CD 3.54Å; I267-K313 HydrophobicContact CG2-CG 3.89Å; I267-K313 VanDerWaalsContact CG2-NZ 3.25Å
268	T	50.4	Low	62.3	Low	100 Å²	100	77.8 Å²	77.8	61%	0.613	45%	0.452	S	S	*	.			trans	-58.1	138	157.6	50.8	0	0	0	0	105.1	P266 D270 K313	P266-T268 VanDerWaalsContact C-N 3.34Å; P266-T268 PolarHBondContact O-N 2.81Å; T268-D270 PolarHBondContact O-N 2.83Å; T268-K313 PolarHBondContact O-NZ 3.15Å; T268-K313 VanDerWaalsContact O-NZ 3.15Å
269	S	51.6	Low	63.4	Low	122 Å²	122	79.5 Å²	79.5	85%	0.853	46%	0.455	S	S	*	.			trans	-64.1	61.6	175.7	168.6	0	0	0	0	110.4	I267	I267-S269 PolarHBondContact O-N 3.44Å
270	D	56.3	Low	64.1	Low	74 Å²	74	80.4 Å²	80.4	40%	0.396	46%	0.464	S	S	.	.			trans	-98.8	123.4	-173.2	-124.3	-7.9	0	0	0	108.2	T268 W272 K313	T268-D270 PolarHBondContact O-N 2.83Å; D270-W272 VanDerWaalsContact CG-CD1 3.48Å; D270-W272 PolarHBondContact O-N 2.76Å; D270-W272 PolarHBondContact OD2-NE1 3.48Å; D270-W272 VanDerWaalsContact OD2-NE1 3.13Å; D270-K313 WeakPolarHBondContact O-CE 3.33Å; D270-K313 PolarHBondContact O-NZ 2.93Å
271	S	62.5	Low	65.1	Low	107 Å²	107	82.7 Å²	82.7	75%	0.748	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.3	-171.5	55.5	0	0	0	0	114
272	W	69.1	Low	65.8	Low	44 Å²	44	84.6 Å²	84.6	17%	0.167	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-33.3	-175.7	69.6	-95.3	0	0	0	112.8	T231 I232 V235 D270 K274	T231-W272 WeakPolarHBondContact O-CZ3 3.05Å; I232-W272 HydrophobicContact CD1-CZ2 4.4Å; I232-W272 HydrophobicContact CG1-CD2 3.98Å; I232-W272 HydrophobicContact CG1-CE3 4.18Å; I232-W272 HydrophobicContact CG1-CH2 3.84Å; I232-W272 HydrophobicContact CG1-CZ2 3.62Å; I232-W272 HydrophobicContact CG1-CZ3 4.12Å; V235-W272 WeakPolarHBondContact CG2-O 3.43Å; D270-W272 VanDerWaalsContact CG-CD1 3.48Å; D270-W272 PolarHBondContact O-N 2.76Å; D270-W272 PolarHBondContact OD2-NE1 3.48Å; D270-W272 VanDerWaalsContact OD2-NE1 3.13Å; W272-K274 PolarHBondContact O-N 2.88Å
273	Y	76.3	Confident	66.4	Low	19 Å²	19	77.2 Å²	77.2	8%	0.075	46%	0.456	C	S	.	.			trans	-86.6	94.5	179.2	-168.9	-57.5	0	0	0	109.1	I228 P229 V275 Y306 K313 G314	I228-Y273 HydrophobicContact CG2-CE1 4.19Å; I228-Y273 WeakPolarHBondContact CG2-OH 3.5Å; P229-Y273 HydrophobicContact CG-CD1 4.29Å; P229-Y273 HydrophobicContact CG-CD2 4.4Å; P229-Y273 HydrophobicContact CG-CG 4.18Å; P229-Y273 VanDerWaalsContact O-CD2 3.24Å; P229-Y273 WeakPolarHBondContact O-CD2 3.35Å; P229-Y273 WeakPolarHBondContact O-CE2 3.41Å; Y273-V275 HydrophobicContact CE1-CG2 3.95Å; Y273-Y306 WeakPolarHBondContact OH-CE1 3.49Å; Y273-K313 HydrophobicContact CD1-CB 3.98Å; Y273-K313 HydrophobicContact CD1-CD 4.21Å; Y273-K313 HydrophobicContact CD1-CG 3.49Å; Y273-K313 VanDerWaalsContact CD1-CG 3.49Å; Y273-K313 HydrophobicContact CE1-CB 4.08Å; Y273-K313 HydrophobicContact CE1-CG 4Å; Y273-K313 HydrophobicContact CG-CG 3.92Å; Y273-K313 WeakPolarHBondContact O-CE 3.21Å; Y273-G314 VanDerWaalsContact CE1-N 3.27Å; Y273-G314 PolarHBondContact OH-N 3.22Å; Y273-G314 VanDerWaalsContact OH-N 3.09Å; Y273-G314 PolarHBondContact OH-O 2.9Å
274	K	81.2	Confident	67	Low	122 Å²	122	78 Å²	78	53%	0.53	45%	0.451	S	S	.	.			trans	-127.2	118.3	172.8	-172.4	-176.4	179.7	-167.9	0	109.2	N184 W272	N184-K274 PolarHBondContact OD1-NZ 2.87Å; N184-K274 VanDerWaalsContact OD1-NZ 3.1Å; W272-K274 PolarHBondContact O-N 2.88Å
275	V	86.3	Confident	67.3	Low	26 Å²	26	79.3 Å²	79.3	16%	0.158	45%	0.451	C	S	.	.			trans	-67.6	133.9	171.8	-179.5	0	0	0	0	108.6	A227 I228 Y273 E277	A227-V275 WeakPolarHBondContact O-CA 3.46Å; I228-V275 HydrophobicContact CG1-CG1 4.04Å; I228-V275 HydrophobicContact CG1-CG2 4.15Å; I228-V275 HydrophobicContact CG2-CG2 4.38Å; Y273-V275 HydrophobicContact CE1-CG2 3.95Å; V275-E277 HydrophobicContact CG1-CG 4.18Å
276	Q	86.6	Confident	67.5	Low	41 Å²	41	76.2 Å²	76.2	19%	0.192	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.9	171.5	-67.1	175.5	-32.4	0	0	108.7	K183 P186 W213 S226 A227	K183-Q276 PolarHBondContact O-NE2 2.91Å; P186-Q276 HydrophobicContact CB-CB 4Å; W213-Q276 HydrophobicContact CH2-CG 4.42Å; S226-Q276 CarbonylContact C-O 3.43Å; S226-Q276 WeakPolarHBondContact CA-O 3.25Å; S226-Q276 WeakPolarHBondContact CB-O 3.37Å; A227-Q276 HydrophobicContact CB-CB 4.23Å; A227-Q276 PolarHBondContact N-O 3.31Å; A227-Q276 PolarHBondContact O-N 3.3Å
277	E	86.1	Confident	67.8	Low	86 Å²	86	74.9 Å²	74.9	40%	0.402	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.9	-179.5	-63.7	-168.9	-151.4	0	0	109.2	V275 R311	V275-E277 HydrophobicContact CG1-CG 4.18Å; E277-R311 IonicContact OE2-CZ 3.57Å; E277-R311 IonicContact OE2-NH1 3.94Å; E277-R311 PolarHBondContact OE2-NH1 3.15Å
278	T	84.4	Confident	68	Low	18 Å²	18	73 Å²	73	11%	0.11	43%	0.428	C	S	.	.			trans	-70.8	138.6	178	-168.2	0	0	0	0	111.4	E185 C224 I225 S280 A283	E185-T278 VanDerWaalsContact OE2-CA 3.28Å; E185-T278 WeakPolarHBondContact OE2-CA 3.41Å; E185-T278 WeakPolarHBondContact OE2-CB 3.17Å; E185-T278 PolarHBondContact OE2-OG1 3.03Å; C224-T278 WeakPolarHBondContact O-CB 3.35Å; I225-T278 PolarHBondContact O-N 2.88Å; T278-S280 VanDerWaalsContact C-N 3.34Å; T278-S280 WeakPolarHBondContact OG1-CB 3.36Å; T278-S280 PolarHBondContact OG1-N 2.93Å; T278-S280 VanDerWaalsContact OG1-N 3.12Å; T278-A283 HydrophobicContact CG2-CB 3.7Å
279	S	80	Confident	68.7	Low	88 Å²	88	68.5 Å²	68.5	62%	0.615	40%	0.4	S	S	*	.			trans	-89.8	-3	167.8	66.2	0	0	0	0	112.5	E185 T281	E185-S279 VanDerWaalsContact OE1-CB 3.29Å; E185-S279 WeakPolarHBondContact OE1-CB 3.17Å; E185-S279 PolarHBondContact OE1-N 2.87Å; E185-S279 PolarHBondContact OE1-OG 2.87Å; S279-T281 PolarHBondContact O-N 3.33Å
280	S	74.8	Confident	69.7	Low	42 Å²	42	65.1 Å²	65.1	29%	0.294	37%	0.373	S	S	.	.			trans	-66.8	124.6	-177.8	-171.5	0	0	0	0	111.7	T278 T282 A283	T278-S280 VanDerWaalsContact C-N 3.34Å; T278-S280 WeakPolarHBondContact OG1-CB 3.36Å; T278-S280 PolarHBondContact OG1-N 2.93Å; T278-S280 VanDerWaalsContact OG1-N 3.12Å; S280-T282 PolarHBondContact O-N 2.89Å; S280-T282 PolarHBondContact OG-N 3.07Å; S280-T282 PolarHBondContact OG-OG1 3.22Å; S280-A283 PolarHBondContact O-N 3.21Å
281	T	71.7	Confident	71.1	Confident	140 Å²	140	61.7 Å²	61.7	86%	0.859	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.9	171.1	56.1	0	0	0	0	112.7	S279 A283	S279-T281 PolarHBondContact O-N 3.33Å; T281-A283 VanDerWaalsContact C-N 3.28Å
282	T	70.4	Confident	72.3	Confident	78 Å²	78	56.7 Å²	56.7	48%	0.479	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.6	175.8	67.5	0	0	0	0	112.3	T221 S280 Q284	T221-T282 WeakPolarHBondContact CB-O 3.17Å; T221-T282 WeakPolarHBondContact CG2-O 3.2Å; S280-T282 PolarHBondContact O-N 2.89Å; S280-T282 PolarHBondContact OG-N 3.07Å; S280-T282 PolarHBondContact OG-OG1 3.22Å; T282-Q284 PolarHBondContact O-N 3.1Å
283	A	64.8	Low	73.4	Confident	7 Å²	7	54.6 Å²	54.6	6%	0.058	31%	0.311	C	S	.	.			trans	-68.7	85.1	172.3	0	0	0	0	0	107.8	T278 S280 T281 E285 V286	T278-A283 HydrophobicContact CG2-CB 3.7Å; S280-A283 PolarHBondContact O-N 3.21Å; T281-A283 VanDerWaalsContact C-N 3.28Å; A283-E285 PolarHBondContact O-N 2.89Å; A283-E285 VanDerWaalsContact O-N 3.1Å; A283-V286 HydrophobicContact CB-CG2 4.27Å
284	Q	61.3	Low	74.3	Confident	151 Å²	151	53.7 Å²	53.7	71%	0.706	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.8	-169.5	-73.5	-171.6	-18.7	0	0	112.2	T221 T282	T221-Q284 HydrophobicContact CG2-CB 4.39Å; T221-Q284 HydrophobicContact CG2-CG 4.04Å; T282-Q284 PolarHBondContact O-N 3.1Å
285	E	57.4	Low	74.9	Confident	63 Å²	63	47.9 Å²	47.9	29%	0.294	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	80.7	-178.8	-72.2	-172.2	-160.9	0	0	112.3	R203 A283 A287 T288	R203-E285 IonicContact CZ-OE1 3.55Å; R203-E285 IonicContact CZ-OE2 3.61Å; R203-E285 IonicContact NE-OE2 3.12Å; R203-E285 PolarHBondContact NE-OE2 2.65Å; R203-E285 IonicContact NH1-OE1 4Å; R203-E285 IonicContact NH1-OE2 3.64Å; R203-E285 IonicContact NH2-OE1 3.34Å; R203-E285 PolarHBondContact NH2-OE1 2.61Å; R203-E285 IonicContact NH2-OE2 3.67Å; R203-E285 PolarHBondContact NH2-OE2 3.36Å; A283-E285 PolarHBondContact O-N 2.89Å; A283-E285 VanDerWaalsContact O-N 3.1Å; E285-A287 PolarHBondContact O-N 2.85Å; E285-T288 HydrophobicContact CB-CG2 4.19Å; E285-T288 HydrophobicContact CG-CG2 4.37Å; E285-T288 WeakPolarHBondContact OE2-CG2 3.2Å; E285-T288 PolarHBondContact OE2-OG1 2.6Å; E285-T288 VanDerWaalsContact OE2-OG1 3.04Å
286	V	52.2	Low	75.2	Confident	66 Å²	66	46.6 Å²	46.6	40%	0.4	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.7	161.6	-175.4	0	0	0	0	110.8	I225 A283 R311	I225-V286 HydrophobicContact CG2-CG1 4.44Å; A283-V286 HydrophobicContact CB-CG2 4.27Å; V286-R311 PolarHBondContact O-NH2 2.88Å
287	A	49.4	Very low	75.4	Confident	87 Å²	87	44.7 Å²	44.7	72%	0.719	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-7.6	-166	0	0	0	0	0	117.8	E285	E285-A287 PolarHBondContact O-N 2.85Å
288	T	54.3	Low	75.1	Confident	53 Å²	53	41.5 Å²	41.5	33%	0.325	26%	0.256	S	S	.	.			trans	-121.7	43.5	-152.3	61	0	0	0	0	118.4	E285	E285-T288 HydrophobicContact CB-CG2 4.19Å; E285-T288 HydrophobicContact CG-CG2 4.37Å; E285-T288 WeakPolarHBondContact OE2-CG2 3.2Å; E285-T288 PolarHBondContact OE2-OG1 2.6Å; E285-T288 VanDerWaalsContact OE2-OG1 3.04Å
289	S	66.1	Low	74.6	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.028	26%	0.26	C	S	.	.			trans	-130.2	95	153.6	75.1	0	0	0	0	111.1	A291 L308 A309	S289-A291 PolarHBondContact O-N 2.74Å; S289-L308 WeakPolarHBondContact OG-CB 3.31Å; S289-A309 WeakPolarHBondContact O-CB 3.04Å; S289-A309 PolarHBondContact O-N 3.47Å
290	D	73	Confident	74.5	Confident	52 Å²	52	42.5 Å²	42.5	28%	0.278	26%	0.255	S	S	.	.			trans	-63.4	49.1	154.7	60.8	-28	0	0	0	110.1	K255 H256	K255-D290 CarbonylContact C-O 3.54Å; K255-D290 WeakPolarHBondContact CE-OD1 3.37Å; K255-D290 WeakPolarHBondContact CE-OD2 3.34Å; H256-D290 CarbonylContact C-O 3.54Å; H256-D290 VanDerWaalsContact C-O 3.32Å; H256-D290 PolarHBondContact N-O 3.34Å; H256-D290 CarbonylContact O-C 3.54Å
291	A	84.3	Confident	75.1	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.8	-177.6	0	0	0	0	0	109.4	I199 I253 R254 S289 L308	I199-A291 HydrophobicContact CD1-CB 4.23Å; I199-A291 HydrophobicContact CG1-CB 4.45Å; I199-A291 HydrophobicContact CG2-CB 4.19Å; I253-A291 HydrophobicContact CD1-CB 4.21Å; I253-A291 HydrophobicContact CG1-CB 4.15Å; R254-A291 CarbonylContact O-C 3.58Å; R254-A291 VanDerWaalsContact O-CA 3.31Å; R254-A291 WeakPolarHBondContact O-CA 3.4Å; S289-A291 PolarHBondContact O-N 2.74Å; A291-L308 HydrophobicContact CB-CD1 4.1Å; A291-L308 PolarHBondContact O-N 3.23Å
292	L	89.1	Confident	76	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	127.7	166.3	-175.1	66.6	0	0	0	108.2	I253 R254 H256 L259 L305 V316 F333 I377	I253-L292 WeakPolarHBondContact CA-O 3.34Å; R254-L292 PolarHBondContact N-O 2.98Å; R254-L292 PolarHBondContact O-N 2.91Å; H256-L292 HydrophobicContact CB-CB 4.28Å; L259-L292 HydrophobicContact CD1-CB 4.34Å; L259-L292 HydrophobicContact CD1-CD1 3.55Å; L259-L292 HydrophobicContact CD1-CD2 3.7Å; L259-L292 HydrophobicContact CD1-CG 4.05Å; L292-L305 HydrophobicContact CD1-CB 4.05Å; L292-L305 HydrophobicContact CD2-CD1 4.46Å; L292-L305 HydrophobicContact CD2-CD2 4.43Å; L292-V316 HydrophobicContact CD1-CG2 4.11Å; L292-F333 HydrophobicContact CD2-CE1 3.95Å; L292-F333 HydrophobicContact CD2-CZ 3.84Å; L292-F333 HydrophobicContact CG-CZ 4.17Å; L292-I377 HydrophobicContact CD2-CD1 3.54Å
293	I	92	Very high	77	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	175.2	-66.8	-167.4	0	0	0	109.7	A206 L214 L251 A252 I253 V295 L305 Y306 L308	A206-I293 HydrophobicContact CB-CD1 3.32Å; L214-I293 HydrophobicContact CD1-CD1 3.97Å; L214-I293 HydrophobicContact CD1-CG2 4.35Å; L214-I293 HydrophobicContact CD2-CB 4.4Å; L214-I293 HydrophobicContact CD2-CD1 4.24Å; L214-I293 HydrophobicContact CD2-CG2 4.08Å; L251-I293 HydrophobicContact CD1-CG2 3.79Å; L251-I293 HydrophobicContact CD2-CG2 4.15Å; L251-I293 HydrophobicContact CG-CG2 3.72Å; A252-I293 WeakPolarHBondContact O-CA 3.33Å; I253-I293 HydrophobicContact CD1-CD1 3.69Å; I253-I293 HydrophobicContact CD1-CG1 3.62Å; I253-I293 HydrophobicContact CG1-CG1 3.93Å; I293-V295 HydrophobicContact CG2-CG2 3.85Å; I293-L305 CarbonylContact O-C 3.4Å; I293-L305 VanDerWaalsContact O-CA 3.29Å; I293-L305 WeakPolarHBondContact O-CA 3.24Å; I293-Y306 PolarHBondContact N-O 2.98Å; I293-Y306 PolarHBondContact O-N 2.79Å; I293-L308 HydrophobicContact CD1-CD1 3.31Å; I293-L308 HydrophobicContact CD1-CD2 3.93Å; I293-L308 HydrophobicContact CD1-CG 3.75Å; I293-L308 HydrophobicContact CG1-CD1 3.83Å; I293-L308 HydrophobicContact CG1-CD2 4.49Å; I293-L308 HydrophobicContact CG1-CG 3.98Å
294	A	94.1	Very high	78.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	127.8	166.2	0	0	0	0	0	109.7	L251 A252 V303 R304 L305 F333 I363	L251-A294 WeakPolarHBondContact CA-O 3.38Å; A252-A294 HydrophobicContact CB-CB 4.24Å; A252-A294 PolarHBondContact N-O 3.38Å; A252-A294 PolarHBondContact O-N 2.93Å; A294-V303 HydrophobicContact CB-CG1 3.66Å; A294-R304 WeakPolarHBondContact CA-O 3.16Å; A294-L305 HydrophobicContact CB-CD2 3.61Å; A294-F333 HydrophobicContact CB-CE2 3.76Å; A294-F333 HydrophobicContact CB-CZ 3.76Å; A294-I363 HydrophobicContact CB-CD1 3.56Å
295	V	94.5	Very high	79.7	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.8	176.2	178.8	0	0	0	0	108.7	I208 L214 V230 I248 I293 V303 R304 Y306	I208-V295 HydrophobicContact CD1-CB 4.34Å; I208-V295 HydrophobicContact CD1-CG1 3.53Å; I208-V295 HydrophobicContact CD1-CG2 3.81Å; L214-V295 HydrophobicContact CD2-CG2 4.48Å; V230-V295 HydrophobicContact CG2-CG1 4.48Å; I248-V295 HydrophobicContact CG1-CG1 4.22Å; I248-V295 HydrophobicContact CG2-CG1 3.61Å; I293-V295 HydrophobicContact CG2-CG2 3.85Å; V295-V303 CarbonylContact O-C 3.55Å; V295-V303 WeakPolarHBondContact O-CA 3.34Å; V295-R304 PolarHBondContact N-O 2.77Å; V295-R304 PolarHBondContact O-N 2.91Å; V295-Y306 HydrophobicContact CB-CD2 4.5Å; V295-Y306 HydrophobicContact CB-CE2 4.16Å; V295-Y306 HydrophobicContact CG2-CD2 3.92Å; V295-Y306 HydrophobicContact CG2-CE2 3.96Å
296	G	93.5	Very high	81.2	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	131.4	173.2	0	0	0	0	0	111.8	T249 C250	T249-G296 PolarHBondContact N-O 2.77Å; T249-G296 VanDerWaalsContact N-O 3.13Å; T249-G296 PolarHBondContact OG1-O 2.7Å; C250-G296 PolarHBondContact O-N 3.38Å
297	T	89.3	Confident	82.8	Confident	1 Å²	1	20.6 Å²	20.6	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	152	-179	72	0	0	0	0	112.6	E247 T299 S302 R304 V328	E247-T297 CarbonylContact O-C 3.52Å; T297-T299 PolarHBondContact OG1-O 2.88Å; T297-S302 PolarHBondContact N-O 2.67Å; T297-S302 PolarHBondContact OG1-N 3.12Å; T297-S302 PolarHBondContact OG1-O 3.06Å; T297-S302 PolarHBondContact OG1-OG 2.83Å; T297-R304 HydrophobicContact CG2-CG 4.29Å; T297-V328 PolarHBondContact O-N 3.09Å
298	G	80.3	Confident	84.4	Confident	18 Å²	18	16.6 Å²	16.6	19%	0.186	9%	0.092	C	C	.	.	S	Bend	trans	-74.3	-36.1	171.8	0	0	0	0	0	112.8	E247 G326 S327	E247-G298 WeakPolarHBondContact O-CA 3.15Å; E247-G298 PolarHBondContact O-N 2.88Å; G298-G326 CarbonylContact O-C 3.56Å; G298-S327 WeakPolarHBondContact CA-OG 3.4Å
299	T	74.3	Confident	85.4	Confident	33 Å²	33	16.3 Å²	16.3	20%	0.202	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-78.6	126.6	177.5	-36.8	0	0	0	0	109.4	E246 T297 A301	E246-T299 VanDerWaalsContact CA-OG1 3.29Å; E246-T299 WeakPolarHBondContact CA-OG1 3.45Å; E246-T299 WeakPolarHBondContact CB-OG1 3.47Å; E246-T299 HydrophobicContact CG-CG2 4.5Å; E246-T299 WeakPolarHBondContact CG-OG1 3.36Å; T297-T299 PolarHBondContact OG1-O 2.88Å; T299-A301 PolarHBondContact O-N 3.22Å; T299-A301 VanDerWaalsContact O-N 3.11Å
300	N	78.5	Confident	85.8	Confident	95 Å²	95	17.6 Å²	17.6	51%	0.508	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	58.9	15.8	177.8	-57.4	-21	0	0	0	115.9	S302 T320	N300-S302 PolarHBondContact O-N 2.95Å; N300-T320 WeakPolarHBondContact O-CG2 3.34Å
301	A	86.5	Confident	85.9	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	48.8	44.3	-177.4	0	0	0	0	0	113	T299 L321 G326 V328	T299-A301 PolarHBondContact O-N 3.22Å; T299-A301 VanDerWaalsContact O-N 3.11Å; A301-L321 HydrophobicContact CB-CB 3.88Å; A301-L321 HydrophobicContact CB-CD1 4.15Å; A301-L321 WeakPolarHBondContact O-CB 3.41Å; A301-L321 PolarHBondContact O-N 3.04Å; A301-G326 VanDerWaalsContact CA-O 3.25Å; A301-G326 WeakPolarHBondContact CA-O 3.34Å; A301-G326 VanDerWaalsContact CB-O 3.27Å; A301-G326 WeakPolarHBondContact CB-O 3.2Å; A301-G326 PolarHBondContact N-O 3.31Å; A301-V328 VanDerWaalsContact C-CG2 3.43Å
302	S	90	Very high	85.2	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	146.9	-173.6	80.1	0	0	0	0	113.1	T297 N300 C319 V328	T297-S302 PolarHBondContact N-O 2.67Å; T297-S302 PolarHBondContact OG1-N 3.12Å; T297-S302 PolarHBondContact OG1-O 3.06Å; T297-S302 PolarHBondContact OG1-OG 2.83Å; N300-S302 PolarHBondContact O-N 2.95Å; S302-C319 CarbonylContact C-O 3.56Å; S302-C319 VanDerWaalsContact CA-O 3.23Å; S302-C319 WeakPolarHBondContact CA-O 3.44Å; S302-V328 WeakPolarHBondContact O-CG2 3.23Å
303	V	93	Very high	84.4	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.2	167.4	178.7	0	0	0	0	108.1	A294 V295 L305 Q318 C319 V328 C331 I363 A365	A294-V303 HydrophobicContact CB-CG1 3.66Å; V295-V303 CarbonylContact O-C 3.55Å; V295-V303 WeakPolarHBondContact O-CA 3.34Å; V303-L305 HydrophobicContact CG1-CD2 4.41Å; V303-Q318 WeakPolarHBondContact O-CA 3.42Å; V303-C319 HydrophobicContact CB-CB 4.43Å; V303-C319 PolarHBondContact N-O 2.85Å; V303-C319 PolarHBondContact O-N 3.35Å; V303-V328 HydrophobicContact CG2-CG1 4.02Å; V303-V328 HydrophobicContact CG2-CG2 3.91Å; V303-C331 HydrophobicContact CG1-CB 4.39Å; V303-C331 HydrophobicContact CG2-CB 4.08Å; V303-I363 HydrophobicContact CG1-CD1 3.8Å; V303-A365 HydrophobicContact CG2-CB 3.54Å
304	R	91.3	Very high	83.6	Confident	32 Å²	32	26.4 Å²	26.4	12%	0.121	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.3	178.3	-66.9	-179.2	-176.2	157.8	5.5	109.8	V230 E246 A294 V295 T297 Y306 C315 Q318	V230-R304 PolarHBondContact O-NH1 3.28Å; E246-R304 IonicContact OE1-CZ 3.81Å; E246-R304 IonicContact OE1-NH1 3.78Å; E246-R304 IonicContact OE1-NH2 2.87Å; E246-R304 PolarHBondContact OE1-NH2 2.88Å; E246-R304 IonicContact OE2-CZ 3.68Å; E246-R304 IonicContact OE2-NH1 2.9Å; E246-R304 PolarHBondContact OE2-NH1 3.26Å; E246-R304 IonicContact OE2-NH2 3.46Å; E246-R304 PolarHBondContact OE2-NH2 2.84Å; A294-R304 WeakPolarHBondContact CA-O 3.16Å; V295-R304 PolarHBondContact N-O 2.77Å; V295-R304 PolarHBondContact O-N 2.91Å; T297-R304 HydrophobicContact CG2-CG 4.29Å; R304-Y306 HydrophobicContact CB-CD2 4.5Å; R304-Y306 HydrophobicContact CB-CE2 3.58Å; R304-Y306 WeakPolarHBondContact CD-OH 3.41Å; R304-C315 HydrophobicContact CB-CB 3.86Å; R304-C315 HydrophobicContact CG-CB 4.42Å; R304-Q318 HydrophobicContact CG-CG 4.23Å
305	L	90.9	Very high	83.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.3	-178.2	-61	179.8	0	0	0	111	L292 I293 A294 V303 C315 V316 A317 F333 I363 I377	L292-L305 HydrophobicContact CD1-CB 4.05Å; L292-L305 HydrophobicContact CD2-CD1 4.46Å; L292-L305 HydrophobicContact CD2-CD2 4.43Å; I293-L305 CarbonylContact O-C 3.4Å; I293-L305 VanDerWaalsContact O-CA 3.29Å; I293-L305 WeakPolarHBondContact O-CA 3.24Å; A294-L305 HydrophobicContact CB-CD2 3.61Å; V303-L305 HydrophobicContact CG1-CD2 4.41Å; L305-C315 CarbonylContact O-C 3.46Å; L305-C315 VanDerWaalsContact O-C 3.31Å; L305-C315 WeakPolarHBondContact O-CA 3.35Å; L305-C315 WeakPolarHBondContact O-CB 3.37Å; L305-V316 HydrophobicContact CB-CG2 3.94Å; L305-V316 WeakPolarHBondContact O-CG2 3.29Å; L305-V316 PolarHBondContact O-N 2.8Å; L305-A317 HydrophobicContact CB-CB 4.34Å; L305-A317 WeakPolarHBondContact CB-O 3.23Å; L305-A317 HydrophobicContact CD1-CB 3.96Å; L305-A317 PolarHBondContact N-O 2.69Å; L305-F333 HydrophobicContact CD2-CZ 4.04Å; L305-I363 HydrophobicContact CD2-CD1 3.88Å; L305-I377 HydrophobicContact CD1-CB 3.75Å; L305-I377 HydrophobicContact CD1-CG2 3.52Å
306	Y	88	Confident	82.7	Confident	8 Å²	8	28.5 Å²	28.5	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	129	-179.9	-62.9	-89.9	0	0	0	110.4	L214 I228 V230 Y273 I293 V295 R304 C315	L214-Y306 HydrophobicContact CD2-CD2 4.47Å; L214-Y306 HydrophobicContact CD2-CG 4.38Å; I228-Y306 HydrophobicContact CG2-CD1 4.25Å; I228-Y306 HydrophobicContact CG2-CE1 4.39Å; V230-Y306 HydrophobicContact CB-CE1 4.42Å; V230-Y306 HydrophobicContact CB-CE2 4.12Å; V230-Y306 WeakPolarHBondContact CB-OH 3.12Å; V230-Y306 HydrophobicContact CG1-CD1 4.31Å; V230-Y306 HydrophobicContact CG1-CD2 4.23Å; V230-Y306 HydrophobicContact CG1-CE1 3.74Å; V230-Y306 HydrophobicContact CG1-CE2 3.64Å; Y273-Y306 WeakPolarHBondContact OH-CE1 3.49Å; I293-Y306 PolarHBondContact N-O 2.98Å; I293-Y306 PolarHBondContact O-N 2.79Å; V295-Y306 HydrophobicContact CB-CD2 4.5Å; V295-Y306 HydrophobicContact CB-CE2 4.16Å; V295-Y306 HydrophobicContact CG2-CD2 3.92Å; V295-Y306 HydrophobicContact CG2-CE2 3.96Å; R304-Y306 HydrophobicContact CB-CD2 4.5Å; R304-Y306 HydrophobicContact CB-CE2 3.58Å; R304-Y306 WeakPolarHBondContact CD-OH 3.41Å; Y306-C315 HydrophobicContact CD1-CB 4.22Å; Y306-C315 HydrophobicContact CE1-CB 3.74Å; Y306-C315 HydrophobicContact CE2-CB 4.09Å
307	E	85.9	Confident	82.3	Confident	46 Å²	46	29 Å²	29	22%	0.215	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	110.3	172.7	-174.2	175.1	-168.3	0	0	109.4	A309 A310 R311 V316	E307-A309 VanDerWaalsContact C-N 3.33Å; E307-A309 PolarHBondContact O-N 2.89Å; E307-A310 HydrophobicContact CB-CB 3.96Å; E307-A310 HydrophobicContact CG-CB 3.86Å; E307-A310 PolarHBondContact O-N 2.74Å; E307-R311 PolarHBondContact O-N 2.92Å; E307-V316 HydrophobicContact CB-CG1 4.13Å
308	L	82.9	Confident	82.3	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-31.7	-174.6	-72.4	-176	0	0	0	113.4	I199 L214 L216 I228 S289 A291 I293 R311	I199-L308 HydrophobicContact CD1-CD1 3.81Å; L214-L308 HydrophobicContact CD2-CD2 4.17Å; L216-L308 HydrophobicContact CD1-CD1 3.92Å; I228-L308 HydrophobicContact CD1-CD2 4.05Å; S289-L308 WeakPolarHBondContact OG-CB 3.31Å; A291-L308 HydrophobicContact CB-CD1 4.1Å; A291-L308 PolarHBondContact O-N 3.23Å; I293-L308 HydrophobicContact CD1-CD1 3.31Å; I293-L308 HydrophobicContact CD1-CD2 3.93Å; I293-L308 HydrophobicContact CD1-CG 3.75Å; I293-L308 HydrophobicContact CG1-CD1 3.83Å; I293-L308 HydrophobicContact CG1-CD2 4.49Å; I293-L308 HydrophobicContact CG1-CG 3.98Å; L308-R311 WeakPolarHBondContact O-CG 3.38Å
309	A	76.4	Confident	82.8	Confident	47 Å²	47	30.8 Å²	30.8	39%	0.388	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-39.1	176.8	0	0	0	0	0	112	S289 E307 R311	S289-A309 WeakPolarHBondContact O-CB 3.04Å; S289-A309 PolarHBondContact O-N 3.47Å; E307-A309 VanDerWaalsContact C-N 3.33Å; E307-A309 PolarHBondContact O-N 2.89Å; A309-R311 VanDerWaalsContact C-N 3.32Å; A309-R311 PolarHBondContact O-N 2.95Å
310	A	74.4	Confident	83.6	Confident	31 Å²	31	32 Å²	32	26%	0.256	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-32.9	-177.6	0	0	0	0	0	111.8	E307 Q312	E307-A310 HydrophobicContact CB-CB 3.96Å; E307-A310 HydrophobicContact CG-CB 3.86Å; E307-A310 PolarHBondContact O-N 2.74Å; A310-Q312 HydrophobicContact CB-CB 4.39Å; A310-Q312 HydrophobicContact CB-CG 3.85Å; A310-Q312 WeakPolarHBondContact O-CG 3.31Å; A310-Q312 PolarHBondContact O-N 3.36Å; A310-Q312 VanDerWaalsContact O-N 3.07Å
311	R	74.1	Confident	84.2	Confident	32 Å²	32	27.6 Å²	27.6	12%	0.121	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	31.3	-178	-55.1	174	179.3	-139.9	-9.8	112.6	E277 V286 E307 L308 A309	E277-R311 IonicContact OE2-CZ 3.57Å; E277-R311 IonicContact OE2-NH1 3.94Å; E277-R311 PolarHBondContact OE2-NH1 3.15Å; V286-R311 PolarHBondContact O-NH2 2.88Å; E307-R311 PolarHBondContact O-N 2.92Å; L308-R311 WeakPolarHBondContact O-CG 3.38Å; A309-R311 VanDerWaalsContact C-N 3.32Å; A309-R311 PolarHBondContact O-N 2.95Å
312	Q	69.9	Low	84	Confident	124 Å²	124	30.1 Å²	30.1	58%	0.579	17%	0.17	S	C	*	.			trans	-85.5	167.6	-172.7	-71.2	-178.3	15.8	0	0	112.7	A310	A310-Q312 HydrophobicContact CB-CB 4.39Å; A310-Q312 HydrophobicContact CB-CG 3.85Å; A310-Q312 WeakPolarHBondContact O-CG 3.31Å; A310-Q312 PolarHBondContact O-N 3.36Å; A310-Q312 VanDerWaalsContact O-N 3.07Å
313	K	71.7	Confident	83.4	Confident	66 Å²	66	31.9 Å²	31.9	29%	0.287	18%	0.182	S	C	.	.	S	Bend	trans	-76.8	134.8	175.1	179.2	164.3	-171.3	-145.4	0	111	I267 T268 D270 Y273	I267-K313 HydrophobicContact CD1-CB 3.95Å; I267-K313 HydrophobicContact CD1-CG 3.97Å; I267-K313 WeakPolarHBondContact CD1-O 3.43Å; I267-K313 HydrophobicContact CG1-CG 4.21Å; I267-K313 HydrophobicContact CG2-CD 3.54Å; I267-K313 HydrophobicContact CG2-CG 3.89Å; I267-K313 VanDerWaalsContact CG2-NZ 3.25Å; T268-K313 PolarHBondContact O-NZ 3.15Å; T268-K313 VanDerWaalsContact O-NZ 3.15Å; D270-K313 WeakPolarHBondContact O-CE 3.33Å; D270-K313 PolarHBondContact O-NZ 2.93Å; Y273-K313 HydrophobicContact CD1-CB 3.98Å; Y273-K313 HydrophobicContact CD1-CD 4.21Å; Y273-K313 HydrophobicContact CD1-CG 3.49Å; Y273-K313 VanDerWaalsContact CD1-CG 3.49Å; Y273-K313 HydrophobicContact CE1-CB 4.08Å; Y273-K313 HydrophobicContact CE1-CG 4Å; Y273-K313 HydrophobicContact CG-CG 3.92Å; Y273-K313 WeakPolarHBondContact O-CE 3.21Å
314	G	76.7	Confident	82.5	Confident	19 Å²	19	33.6 Å²	33.6	20%	0.196	20%	0.2	C	C	.	.	S	Bend	trans	80.2	169.6	-176.9	0	0	0	0	0	114.5	Y273	Y273-G314 VanDerWaalsContact CE1-N 3.27Å; Y273-G314 PolarHBondContact OH-N 3.22Å; Y273-G314 VanDerWaalsContact OH-N 3.09Å; Y273-G314 PolarHBondContact OH-O 2.9Å
315	C	84.1	Confident	81.5	Confident	22 Å²	22	35.2 Å²	35.2	15%	0.149	22%	0.216	C	C	.	.			trans	-78.2	141.6	166.3	58.7	0	0	0	0	109.6	A264 R304 L305 Y306 A317	A264-C315 WeakPolarHBondContact CB-O 3.25Å; R304-C315 HydrophobicContact CB-CB 3.86Å; R304-C315 HydrophobicContact CG-CB 4.42Å; L305-C315 CarbonylContact O-C 3.46Å; L305-C315 VanDerWaalsContact O-C 3.31Å; L305-C315 WeakPolarHBondContact O-CA 3.35Å; L305-C315 WeakPolarHBondContact O-CB 3.37Å; Y306-C315 HydrophobicContact CD1-CB 4.22Å; Y306-C315 HydrophobicContact CE1-CB 3.74Å; Y306-C315 HydrophobicContact CE2-CB 4.09Å; C315-A317 VanDerWaalsContact C-N 3.29Å; C315-A317 PolarHBondContact O-N 3.17Å
316	V	84.2	Confident	80.9	Confident	21 Å²	21	36.8 Å²	36.8	13%	0.127	23%	0.232	C	C	.	.	S	Bend	trans	-70.7	-27.2	179.9	-66	0	0	0	0	112.3	I261 L292 L305 E307	I261-V316 HydrophobicContact CD1-CB 4.05Å; I261-V316 HydrophobicContact CD1-CG2 3.64Å; I261-V316 HydrophobicContact CG2-CB 4.11Å; I261-V316 WeakPolarHBondContact CG2-O 3.15Å; L292-V316 HydrophobicContact CD1-CG2 4.11Å; L305-V316 HydrophobicContact CB-CG2 3.94Å; L305-V316 WeakPolarHBondContact O-CG2 3.29Å; L305-V316 PolarHBondContact O-N 2.8Å; E307-V316 HydrophobicContact CB-CG1 4.13Å
317	A	85.6	Confident	80.9	Confident	12 Å²	12	36.7 Å²	36.7	10%	0.099	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	161.3	175.2	0	0	0	0	0	110.7	L305 C315 T380	L305-A317 HydrophobicContact CB-CB 4.34Å; L305-A317 WeakPolarHBondContact CB-O 3.23Å; L305-A317 HydrophobicContact CD1-CB 3.96Å; L305-A317 PolarHBondContact N-O 2.69Å; C315-A317 VanDerWaalsContact C-N 3.29Å; C315-A317 PolarHBondContact O-N 3.17Å; A317-T380 HydrophobicContact CB-CG2 3.95Å
318	Q	89.6	Confident	81.3	Confident	55 Å²	55	34.5 Å²	34.5	26%	0.257	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.3	178.6	-177.8	-178.6	-49.4	0	0	110.6	V303 R304 T320 T380	V303-Q318 WeakPolarHBondContact O-CA 3.42Å; R304-Q318 HydrophobicContact CG-CG 4.23Å; Q318-T320 PolarHBondContact NE2-OG1 3.38Å; Q318-T380 WeakPolarHBondContact O-CB 3.26Å; Q318-T380 PolarHBondContact O-OG1 2.87Å
319	C	90.6	Very high	81.7	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.5	170	-59.5	0	0	0	0	108.7	S302 V303 W375 T380	S302-C319 CarbonylContact C-O 3.56Å; S302-C319 VanDerWaalsContact CA-O 3.23Å; S302-C319 WeakPolarHBondContact CA-O 3.44Å; V303-C319 HydrophobicContact CB-CB 4.43Å; V303-C319 PolarHBondContact N-O 2.85Å; V303-C319 PolarHBondContact O-N 3.35Å; C319-W375 HydrophobicContact CB-CD2 3.71Å; C319-W375 HydrophobicContact CB-CE3 4.08Å; C319-W375 HydrophobicContact CB-CG 4.03Å; C319-W375 HydrophobicContact CB-CH2 4.46Å; C319-W375 HydrophobicContact CB-CZ2 4.18Å; C319-W375 HydrophobicContact CB-CZ3 4.44Å; C319-T380 VanDerWaalsContact SG-CG2 3.57Å
320	T	91.2	Very high	82.6	Confident	59 Å²	59	33.2 Å²	33.2	36%	0.362	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127	178.5	-64	0	0	0	0	109.6	N300 Q318 W375	N300-T320 WeakPolarHBondContact O-CG2 3.34Å; Q318-T320 PolarHBondContact NE2-OG1 3.38Å; T320-W375 WeakPolarHBondContact O-CZ2 3.48Å
321	L	91	Very high	83.7	Confident	2 Å²	2	32.2 Å²	32.2	1%	0.01	21%	0.205	C	C	.	.			trans	-64.7	149	177.7	-79.1	158.9	0	0	0	111.4	A301 S323 G324 V328 A365 A373 W375	A301-L321 HydrophobicContact CB-CB 3.88Å; A301-L321 HydrophobicContact CB-CD1 4.15Å; A301-L321 WeakPolarHBondContact O-CB 3.41Å; A301-L321 PolarHBondContact O-N 3.04Å; L321-S323 VanDerWaalsContact C-N 3.26Å; L321-S323 PolarHBondContact O-N 2.75Å; L321-S323 VanDerWaalsContact O-N 3.16Å; L321-G324 PolarHBondContact O-N 2.99Å; L321-V328 HydrophobicContact CD1-CG2 3.97Å; L321-A365 HydrophobicContact CD1-CB 4.22Å; L321-A365 HydrophobicContact CD2-CB 4.22Å; L321-A365 HydrophobicContact CG-CB 4.31Å; L321-A373 HydrophobicContact CD2-CB 3.97Å; L321-W375 HydrophobicContact CD2-CH2 3.68Å; L321-W375 HydrophobicContact CD2-CZ3 4.49Å; L321-W375 HydrophobicContact CG-CH2 4Å
322	P	82.2	Confident	84.7	Confident	52 Å²	52	31 Å²	31	34%	0.338	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30	-172.7	-25.7	34	0	0	0	115.4	G324 A373 Q386 T388	P322-G324 PolarHBondContact O-N 3.05Å; P322-A373 HydrophobicContact CG-CB 4.41Å; P322-Q386 HydrophobicContact CG-CB 3.98Å; P322-T388 HydrophobicContact CB-CG2 4.06Å; P322-T388 HydrophobicContact CG-CG2 4.34Å
323	S	78.6	Confident	85.8	Confident	37 Å²	37	25.5 Å²	25.5	26%	0.259	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.1	176.4	62.1	0	0	0	0	112.9	L321 S325 D371	L321-S323 VanDerWaalsContact C-N 3.26Å; L321-S323 PolarHBondContact O-N 2.75Å; L321-S323 VanDerWaalsContact O-N 3.16Å; S323-S325 WeakPolarHBondContact O-CB 3.22Å; S323-S325 PolarHBondContact O-N 3.06Å; S323-S325 PolarHBondContact O-OG 2.8Å; S323-S325 PolarHBondContact OG-O 3.15Å; S323-D371 VanDerWaalsContact CB-OD2 3.24Å; S323-D371 WeakPolarHBondContact CB-OD2 3.41Å; S323-D371 PolarHBondContact OG-OD2 2.98Å
324	G	72.6	Confident	86.8	Confident	37 Å²	37	22.4 Å²	22.4	38%	0.381	16%	0.162	S	C	.	.			trans	56.7	7.5	-175.5	0	0	0	0	0	114.3	L321 P322	L321-G324 PolarHBondContact O-N 2.99Å; P322-G324 PolarHBondContact O-N 3.05Å
325	S	70.6	Confident	87.2	Confident	67 Å²	67	25.7 Å²	25.7	47%	0.469	17%	0.173	S	C	.	.	S	Bend	trans	-150.4	147.9	-167.1	59.2	0	0	0	0	110.7	S323	S323-S325 WeakPolarHBondContact O-CB 3.22Å; S323-S325 PolarHBondContact O-N 3.06Å; S323-S325 PolarHBondContact O-OG 2.8Å; S323-S325 PolarHBondContact OG-O 3.15Å
326	G	78.1	Confident	86.8	Confident	32 Å²	32	30.9 Å²	30.9	33%	0.33	20%	0.195	S	C	.	.	S	Bend	trans	82.6	-174.9	-170.5	0	0	0	0	0	112.6	G298 A301	G298-G326 CarbonylContact O-C 3.56Å; A301-G326 VanDerWaalsContact CA-O 3.25Å; A301-G326 WeakPolarHBondContact CA-O 3.34Å; A301-G326 VanDerWaalsContact CB-O 3.27Å; A301-G326 WeakPolarHBondContact CB-O 3.2Å; A301-G326 PolarHBondContact N-O 3.31Å
327	S	89.3	Confident	86.1	Confident	6 Å²	6	31.5 Å²	31.5	4%	0.042	20%	0.197	C	C	.	.			trans	-97.6	148.8	-177.7	-172.9	0	0	0	0	112.5	T249 G298 G329 S367 Q368	T249-S327 WeakPolarHBondContact CG2-OG 3.42Å; G298-S327 WeakPolarHBondContact CA-OG 3.4Å; S327-G329 PolarHBondContact O-N 2.86Å; S327-S367 CarbonylContact O-C 3.6Å; S327-S367 WeakPolarHBondContact O-CA 3.16Å; S327-Q368 PolarHBondContact O-N 3.13Å
328	V	93.2	Very high	84.9	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	127.8	157.8	-177.1	0	0	0	0	107.8	T249 T297 A301 S302 V303 L321 A330 A365 G366	T249-V328 VanDerWaalsContact CB-O 3.3Å; T249-V328 WeakPolarHBondContact CB-O 3.36Å; T249-V328 PolarHBondContact OG1-O 2.76Å; T297-V328 PolarHBondContact O-N 3.09Å; A301-V328 VanDerWaalsContact C-CG2 3.43Å; S302-V328 WeakPolarHBondContact O-CG2 3.23Å; V303-V328 HydrophobicContact CG2-CG1 4.02Å; V303-V328 HydrophobicContact CG2-CG2 3.91Å; L321-V328 HydrophobicContact CD1-CG2 3.97Å; V328-A330 WeakPolarHBondContact CG1-O 3.36Å; V328-A365 HydrophobicContact CG1-CB 4.47Å; V328-G366 CarbonylContact C-O 3.49Å; V328-G366 WeakPolarHBondContact CA-O 3.32Å
329	G	92.4	Very high	83.1	Confident	16 Å²	16	36.5 Å²	36.5	17%	0.165	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-36.2	174	0	0	0	0	0	112.4	S327 G366 V394	S327-G329 PolarHBondContact O-N 2.86Å; G329-G366 PolarHBondContact N-O 2.8Å; G329-V394 WeakPolarHBondContact CA-O 3.25Å
330	A	95.3	Very high	80.8	Confident	6 Å²	6	40.1 Å²	40.1	5%	0.05	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	152.3	175.1	0	0	0	0	0	111.1	V328 A365 G366 V394 I397	V328-A330 WeakPolarHBondContact CG1-O 3.36Å; A330-A365 CarbonylContact O-C 3.47Å; A330-A365 WeakPolarHBondContact O-CA 3.11Å; A330-G366 PolarHBondContact N-O 2.64Å; A330-G366 PolarHBondContact O-N 2.89Å; A330-V394 HydrophobicContact CB-CG1 4.1Å; A330-I397 HydrophobicContact CB-CD1 4.17Å; A330-I397 HydrophobicContact CB-CG1 3.98Å
331	C	96	Very high	78.2	Confident	10 Å²	10	47.7 Å²	47.7	7%	0.068	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.4	164.9	59.3	0	0	0	0	109.8	A252 V303 F364 A365	A252-C331 WeakPolarHBondContact CB-O 3.43Å; V303-C331 HydrophobicContact CG1-CB 4.39Å; V303-C331 HydrophobicContact CG2-CB 4.08Å; C331-F364 CarbonylContact C-O 3.51Å; C331-F364 WeakPolarHBondContact CA-O 3.5Å; C331-F364 WeakPolarHBondContact CB-O 3.34Å; C331-A365 HydrophobicContact CB-CB 4.34Å
332	A	95.9	Very high	75.6	Confident	8 Å²	8	50.3 Å²	50.3	7%	0.066	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	143.3	179.3	0	0	0	0	0	111.3	F364 I397	A332-F364 PolarHBondContact N-O 3.01Å; A332-F364 PolarHBondContact O-N 2.9Å; A332-I397 HydrophobicContact CB-CB 3.89Å; A332-I397 HydrophobicContact CB-CG2 3.76Å
333	F	93.8	Very high	73.5	Confident	7 Å²	7	57.4 Å²	57.4	3%	0.031	32%	0.324	C	S	.	.			trans	-89.5	151.3	164.5	-65	-77.6	0	0	0	109.5	A252 R254 L292 A294 L305 G362 I363	A252-F333 HydrophobicContact CB-CD2 4.08Å; A252-F333 HydrophobicContact CB-CE2 4.2Å; R254-F333 HydrophobicContact CB-CB 4.05Å; R254-F333 HydrophobicContact CB-CD1 4.33Å; R254-F333 HydrophobicContact CB-CD2 3.67Å; R254-F333 HydrophobicContact CB-CE2 4.18Å; R254-F333 HydrophobicContact CB-CG 3.76Å; L292-F333 HydrophobicContact CD2-CE1 3.95Å; L292-F333 HydrophobicContact CD2-CZ 3.84Å; L292-F333 HydrophobicContact CG-CZ 4.17Å; A294-F333 HydrophobicContact CB-CE2 3.76Å; A294-F333 HydrophobicContact CB-CZ 3.76Å; L305-F333 HydrophobicContact CD2-CZ 4.04Å; F333-G362 WeakPolarHBondContact CD1-O 3.25Å; F333-I363 HydrophobicContact CD1-CB 4.12Å; F333-I363 HydrophobicContact CD1-CD1 4.4Å; F333-I363 HydrophobicContact CD1-CG1 4.19Å; F333-I363 HydrophobicContact CE1-CB 4.01Å; F333-I363 HydrophobicContact CE1-CD1 3.77Å; F333-I363 HydrophobicContact CE1-CG1 4.02Å; F333-I363 HydrophobicContact CZ-CD1 3.84Å; F333-I363 HydrophobicContact CZ-CG1 4.49Å
334	P	91.3	Very high	71.4	Confident	1 Å²	1	64.8 Å²	64.8	1%	0.006	35%	0.354	C	S	.	.			trans	-57.8	138.4	167.6	-22.9	33.4	0	0	0	111.5	R254 F358 M359 G362 F364 V399 L408	R254-P334 PolarHBondContact NH2-O 2.84Å; P334-F358 HydrophobicContact CG-CD1 4.2Å; P334-F358 HydrophobicContact CG-CE1 3.87Å; P334-M359 HydrophobicContact CB-CE 3.82Å; P334-M359 HydrophobicContact CB-SD 3.44Å; P334-M359 WeakPolarHBondContact CB-SD 3.49Å; P334-M359 HydrophobicContact CG-SD 4.47Å; P334-G362 WeakPolarHBondContact CD-O 3.31Å; P334-F364 HydrophobicContact CG-CE2 4.26Å; P334-V399 HydrophobicContact CB-CG1 4.15Å; P334-V399 HydrophobicContact CG-CG1 4.36Å; P334-L408 HydrophobicContact CB-CD1 4.31Å; P334-L408 HydrophobicContact CG-CD1 4.38Å
335	E	85.5	Confident	69.9	Low	89 Å²	89	66.4 Å²	66.4	42%	0.416	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.4	176.5	-66.6	176	-175.1	0	0	110.3	M359 V399 C400 R401	E335-M359 VanDerWaalsContact C-CE 3.47Å; E335-M359 WeakPolarHBondContact O-CE 3.36Å; E335-V399 PolarHBondContact N-O 2.85Å; E335-C400 WeakPolarHBondContact O-CA 3.23Å; E335-R401 PolarHBondContact O-N 3.42Å
336	E	76	Confident	68.3	Low	130 Å²	130	71.8 Å²	71.8	61%	0.607	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.3	143.6	164.3	-73.4	-163.2	154	0	0	109.3	P338 M359	E336-P338 VanDerWaalsContact O-CD 3.23Å; E336-P338 WeakPolarHBondContact O-CD 3.46Å; E336-P338 VanDerWaalsContact O-N 3.15Å; E336-M359 HydrophobicContact CG-CE 3.69Å
337	I	68.9	Low	66.5	Low	35 Å²	35	74.6 Å²	74.6	18%	0.179	37%	0.374	C	S	.	.			trans	-60.9	119	173.1	-65	173	0	0	0	107.4	I339 R401 Y456 I462	I337-I339 PolarHBondContact O-N 3.45Å; I337-R401 WeakPolarHBondContact CD1-O 3.3Å; I337-R401 WeakPolarHBondContact CG1-O 3.47Å; I337-Y456 HydrophobicContact CB-CD1 4.28Å; I337-Y456 HydrophobicContact CD1-CD1 4.24Å; I337-Y456 HydrophobicContact CG1-CD1 3.7Å; I337-Y456 HydrophobicContact CG1-CE1 3.78Å; I337-Y456 HydrophobicContact CG1-CG 4.45Å; I337-Y456 HydrophobicContact CG2-CD1 3.9Å; I337-Y456 HydrophobicContact CG2-CG 3.87Å; I337-I462 HydrophobicContact CD1-CD1 4.35Å
338	P	60.6	Low	64.1	Low	86 Å²	86	80 Å²	80	56%	0.558	40%	0.402	S	S	*	.			trans	-67.5	99.7	173.9	-9.4	24.1	0	0	0	107.2	E336 P340 Y456	E336-P338 VanDerWaalsContact O-CD 3.23Å; E336-P338 WeakPolarHBondContact O-CD 3.46Å; E336-P338 VanDerWaalsContact O-N 3.15Å; P338-P340 WeakPolarHBondContact O-CD 3.31Å; P338-Y456 HydrophobicContact CG-CD2 4.44Å
339	I	52	Low	61.4	Low	86 Å²	86	86.3 Å²	86.3	44%	0.441	44%	0.435	S	S	.	.			trans	-69.2	111.4	177.4	-54.7	171.1	0	0	0	106.7	I337 F341 F347	I337-I339 PolarHBondContact O-N 3.45Å; I339-F341 PolarHBondContact O-N 3.1Å; I339-F341 VanDerWaalsContact O-N 3.12Å; I339-F347 HydrophobicContact CD1-CE2 4.23Å; I339-F347 HydrophobicContact CD1-CZ 4.09Å
340	P	43	Very low	59.1	Low	76 Å²	76	86.7 Å²	86.7	49%	0.494	43%	0.434	S	S	.	.			trans	-71	113.6	173.4	-7.2	25.4	0	0	0	106.5	P338 S342	P338-P340 WeakPolarHBondContact O-CD 3.31Å; P340-S342 PolarHBondContact O-N 2.8Å; P340-S342 PolarHBondContact O-OG 3.04Å
341	F	35.4	Very low	56.5	Low	218 Å²	218	91.5 Å²	91.5	96%	0.956	47%	0.465	S	S	*	.	S	Bend	trans	-1.2	81.1	171.3	-83.4	-90.6	0	0	0	114.9	I339	I339-F341 PolarHBondContact O-N 3.1Å; I339-F341 VanDerWaalsContact O-N 3.12Å
342	S	35.9	Very low	54.4	Low	58 Å²	58	96.8 Å²	96.8	41%	0.406	48%	0.483	S	S	.	.			trans	-152.1	122.4	167.5	65.7	0	0	0	0	109	P340	P340-S342 PolarHBondContact O-N 2.8Å; P340-S342 PolarHBondContact O-OG 3.04Å
343	K	38.1	Very low	52.6	Low	201 Å²	201	100.7 Å²	100.7	87%	0.874	51%	0.511	S	S	*	.	S	Bend	trans	8.3	114.8	173.1	-73.2	179	174.5	179	0	114.9	I345	K343-I345 PolarHBondContact O-N 3.18Å
344	E	35.8	Very low	50.8	Low	191 Å²	191	103.5 Å²	103.5	89%	0.893	53%	0.53	S	S	*	.			trans	-17.5	94.5	165.2	-71.3	178.4	158	0	0	111.8	Q346	E344-Q346 PolarHBondContact O-N 2.87Å; E344-Q346 VanDerWaalsContact O-N 3.07Å
345	I	40	Very low	49.1	Very low	72 Å²	72	103.9 Å²	103.9	37%	0.369	53%	0.532	S	S	.	.			trans	-66.2	113.4	165	-63.3	175.8	0	0	0	103.1	K343 F347	K343-I345 PolarHBondContact O-N 3.18Å; I345-F347 WeakPolarHBondContact O-CD2 3.29Å; I345-F347 PolarHBondContact O-N 3.05Å
346	Q	37.5	Very low	48.1	Very low	180 Å²	180	101.7 Å²	101.7	84%	0.841	53%	0.527	S	S	*	.			trans	-59.6	95	171.8	-77.3	-175.6	-10.9	0	0	107.1	E344 I348	E344-Q346 PolarHBondContact O-N 2.87Å; E344-Q346 VanDerWaalsContact O-N 3.07Å; Q346-I348 PolarHBondContact O-N 3.37Å; Q346-I348 VanDerWaalsContact O-N 3.09Å
347	F	40.5	Very low	48.2	Very low	91 Å²	91	96.7 Å²	96.7	40%	0.399	51%	0.506	S	S	.	.			trans	-60.2	116.1	166	-70.9	-80.2	0	0	0	105.9	I339 I345 D349 A403	I339-F347 HydrophobicContact CD1-CE2 4.23Å; I339-F347 HydrophobicContact CD1-CZ 4.09Å; I345-F347 WeakPolarHBondContact O-CD2 3.29Å; I345-F347 PolarHBondContact O-N 3.05Å; F347-D349 PolarHBondContact O-N 2.83Å; F347-A403 HydrophobicContact CE1-CB 4.11Å
348	I	39.2	Very low	49	Very low	120 Å²	120	95.2 Å²	95.2	62%	0.615	50%	0.499	S	S	*	.			trans	-49.7	131.2	164.7	-63.3	169.9	0	0	0	105.9	Q346 V350	Q346-I348 PolarHBondContact O-N 3.37Å; Q346-I348 VanDerWaalsContact O-N 3.09Å; I348-V350 HydrophobicContact CG2-CG2 4.37Å; I348-V350 WeakPolarHBondContact O-CG2 3.4Å; I348-V350 PolarHBondContact O-N 3.07Å
349	D	37.2	Very low	50.2	Low	131 Å²	131	91.3 Å²	91.3	70%	0.701	47%	0.473	S	S	*	.			trans	-66.7	77.7	178.3	-101.5	-23.1	0	0	0	109.3	F347 R352	F347-D349 PolarHBondContact O-N 2.83Å; D349-R352 IonicContact OD1-CZ 2.97Å; D349-R352 IonicContact OD1-NH1 2.62Å; D349-R352 IonicContact OD1-NH2 2.83Å
350	V	42.4	Very low	51.6	Low	24 Å²	24	90.9 Å²	90.9	15%	0.145	47%	0.472	C	S	.	.			trans	-76.5	129.1	169.6	178.7	0	0	0	0	106.5	I348 R352 Q406	I348-V350 HydrophobicContact CG2-CG2 4.37Å; I348-V350 WeakPolarHBondContact O-CG2 3.4Å; I348-V350 PolarHBondContact O-N 3.07Å; V350-R352 WeakPolarHBondContact O-CG 3.37Å; V350-R352 PolarHBondContact O-N 2.88Å; V350-Q406 HydrophobicContact CG1-CG 3.23Å
351	P	41.8	Very low	53.8	Low	108 Å²	108	89.5 Å²	89.5	70%	0.701	46%	0.457	S	S	*	.			trans	-48.6	108.6	-178.5	-27.4	33.9	0	0	0	111.3	S353	P351-S353 PolarHBondContact O-N 2.83Å
352	R	51.2	Low	56.4	Low	120 Å²	120	79.1 Å²	79.1	45%	0.453	41%	0.411	S	S	.	.			trans	-81.4	-14.1	-162.8	-68.7	-171.5	172.7	130.9	4.9	114.4	D349 V350 C354 V355 S356	D349-R352 IonicContact OD1-CZ 2.97Å; D349-R352 IonicContact OD1-NH1 2.62Å; D349-R352 IonicContact OD1-NH2 2.83Å; V350-R352 WeakPolarHBondContact O-CG 3.37Å; V350-R352 PolarHBondContact O-N 2.88Å; R352-C354 PolarHBondContact O-N 3.4Å; R352-V355 PolarHBondContact O-N 3.49Å; R352-S356 VanDerWaalsContact O-CB 3.25Å; R352-S356 WeakPolarHBondContact O-CB 3.44Å; R352-S356 PolarHBondContact O-N 3.18Å; R352-S356 PolarHBondContact O-OG 3.15Å
353	S	57.7	Low	59.2	Low	91 Å²	91	76.4 Å²	76.4	64%	0.636	39%	0.392	S	S	*	.	H	α-helix	trans	-61.1	-45	-154.7	55.8	0	0	0	0	115.3	P351 S356 S357	P351-S353 PolarHBondContact O-N 2.83Å; S353-S356 PolarHBondContact O-OG 3.33Å; S353-S357 WeakPolarHBondContact O-CB 3.43Å; S353-S357 PolarHBondContact O-N 2.8Å
354	C	56.3	Low	61.9	Low	65 Å²	65	66.8 Å²	66.8	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-79.3	-46	-178.9	-67.5	0	0	0	0	112.2	R352 S357 F358 A427	R352-C354 PolarHBondContact O-N 3.4Å; C354-S357 PolarHBondContact O-N 2.9Å; C354-F358 WeakPolarHBondContact O-CB 3.18Å; C354-F358 PolarHBondContact O-N 2.86Å; C354-A427 HydrophobicContact CB-CB 4.3Å
355	V	57.3	Low	64.8	Low	9 Å²	9	57.8 Å²	57.8	6%	0.055	31%	0.308	C	S	.	.	H	α-helix	trans	-67.1	-41.4	-177.3	-176.1	0	0	0	0	110.9	R352 F358 M359 Q406 L408	R352-V355 PolarHBondContact O-N 3.49Å; V355-F358 PolarHBondContact O-N 2.99Å; V355-M359 HydrophobicContact CG1-CG 4.27Å; V355-M359 VanDerWaalsContact O-CB 3.29Å; V355-M359 WeakPolarHBondContact O-CB 3.21Å; V355-M359 WeakPolarHBondContact O-CG 3.38Å; V355-M359 PolarHBondContact O-N 2.75Å; V355-Q406 WeakPolarHBondContact CG2-O 3.47Å; V355-L408 HydrophobicContact CG1-CD2 4.28Å
356	S	64.3	Low	67.4	Low	43 Å²	43	54.3 Å²	54.3	30%	0.301	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-44.7	177.1	67.9	0	0	0	0	110.9	R352 S353 F358 M359 D360	R352-S356 VanDerWaalsContact O-CB 3.25Å; R352-S356 WeakPolarHBondContact O-CB 3.44Å; R352-S356 PolarHBondContact O-N 3.18Å; R352-S356 PolarHBondContact O-OG 3.15Å; S353-S356 PolarHBondContact O-OG 3.33Å; S356-F358 PolarHBondContact O-N 3.5Å; S356-M359 CarbonylContact O-C 3.53Å; S356-M359 WeakPolarHBondContact O-CA 3.47Å; S356-M359 WeakPolarHBondContact O-CB 3.49Å; S356-M359 PolarHBondContact O-N 3.41Å; S356-M359 VanDerWaalsContact O-N 3.16Å; S356-D360 PolarHBondContact O-N 2.82Å
357	S	78.1	Confident	70	Confident	25 Å²	25	45.8 Å²	45.8	18%	0.175	25%	0.251	C	S	.	.	H	α-helix	trans	-65.5	-41.9	-179.7	-164	0	0	0	0	111.8	S353 C354 M359 D360 Y361 R378	S353-S357 WeakPolarHBondContact O-CB 3.43Å; S353-S357 PolarHBondContact O-N 2.8Å; C354-S357 PolarHBondContact O-N 2.9Å; S357-M359 VanDerWaalsContact C-N 3.31Å; S357-D360 PolarHBondContact O-N 3.31Å; S357-Y361 WeakPolarHBondContact O-CD2 3.42Å; S357-Y361 PolarHBondContact O-N 2.96Å; S357-Y361 WeakPolarHBondContact OG-CD2 3.5Å; S357-R378 PolarHBondContact OG-NH1 3.19Å; S357-R378 PolarHBondContact OG-NH2 3.03Å
358	F	84.7	Confident	72.4	Confident	5 Å²	5	46 Å²	46	2%	0.022	25%	0.253	C	S	.	.	H	α-helix	trans	-70.4	-30.3	174.9	-172	-95.5	0	0	0	112.2	P334 C354 V355 S356 D360 G362 F364 L384 L408 Y424 P426	P334-F358 HydrophobicContact CG-CD1 4.2Å; P334-F358 HydrophobicContact CG-CE1 3.87Å; C354-F358 WeakPolarHBondContact O-CB 3.18Å; C354-F358 PolarHBondContact O-N 2.86Å; V355-F358 PolarHBondContact O-N 2.99Å; S356-F358 PolarHBondContact O-N 3.5Å; F358-D360 PolarHBondContact O-N 3.32Å; F358-G362 WeakPolarHBondContact O-CA 3.34Å; F358-G362 PolarHBondContact O-N 2.81Å; F358-F364 AromaticContact CE1-CE2 3.51Å; F358-F364 HydrophobicContact CE1-CE2 3.51Å; F358-F364 AromaticContact CE1-CZ 3.77Å; F358-F364 HydrophobicContact CE1-CZ 3.77Å; F358-F364 HydrophobicContact CZ-CD2 4.38Å; F358-F364 AromaticContact CZ-CE2 3.53Å; F358-F364 HydrophobicContact CZ-CE2 3.53Å; F358-F364 AromaticContact CZ-CZ 3.71Å; F358-F364 HydrophobicContact CZ-CZ 3.71Å; F358-L384 HydrophobicContact CD2-CD1 3.79Å; F358-L384 HydrophobicContact CE2-CD1 3.6Å; F358-L408 HydrophobicContact CD1-CD1 3.61Å; F358-L408 HydrophobicContact CE1-CD1 3.69Å; F358-Y424 HydrophobicContact CD1-CE1 4.05Å; F358-Y424 HydrophobicContact CE1-CD1 4.18Å; F358-Y424 AromaticContact CE1-CE1 3.48Å; F358-Y424 HydrophobicContact CE1-CE1 3.48Å; F358-Y424 VanDerWaalsContact CE1-CE1 3.48Å; F358-Y424 HydrophobicContact CE2-CE1 4.34Å; F358-Y424 AromaticContact CZ-CE1 3.64Å; F358-Y424 HydrophobicContact CZ-CE1 3.64Å; F358-Y424 AromaticContact CZ-CZ 3.93Å; F358-P426 HydrophobicContact CB-CB 3.73Å; F358-P426 HydrophobicContact CB-CG 3.78Å; F358-P426 HydrophobicContact CD1-CB 4.15Å; F358-P426 HydrophobicContact CD1-CG 3.64Å; F358-P426 HydrophobicContact CD2-CB 4.3Å; F358-P426 HydrophobicContact CE1-CG 4.4Å; F358-P426 HydrophobicContact CG-CB 3.79Å; F358-P426 HydrophobicContact CG-CG 3.78Å
359	M	85.1	Confident	74.7	Confident	3 Å²	3	46 Å²	46	2%	0.015	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-21.5	168.2	-77.1	-55.8	-65.9	0	0	111.9	R254 P334 E335 E336 V355 S356 S357 R401 L408	R254-M359 PolarHBondContact NH1-O 2.73Å; R254-M359 PolarHBondContact NH2-O 2.84Å; P334-M359 HydrophobicContact CB-CE 3.82Å; P334-M359 HydrophobicContact CB-SD 3.44Å; P334-M359 WeakPolarHBondContact CB-SD 3.49Å; P334-M359 HydrophobicContact CG-SD 4.47Å; E335-M359 VanDerWaalsContact C-CE 3.47Å; E335-M359 WeakPolarHBondContact O-CE 3.36Å; E336-M359 HydrophobicContact CG-CE 3.69Å; V355-M359 HydrophobicContact CG1-CG 4.27Å; V355-M359 VanDerWaalsContact O-CB 3.29Å; V355-M359 WeakPolarHBondContact O-CB 3.21Å; V355-M359 WeakPolarHBondContact O-CG 3.38Å; V355-M359 PolarHBondContact O-N 2.75Å; S356-M359 CarbonylContact O-C 3.53Å; S356-M359 WeakPolarHBondContact O-CA 3.47Å; S356-M359 WeakPolarHBondContact O-CB 3.49Å; S356-M359 PolarHBondContact O-N 3.41Å; S356-M359 VanDerWaalsContact O-N 3.16Å; S357-M359 VanDerWaalsContact C-N 3.31Å; M359-R401 HydrophobicContact CE-CB 4.1Å; M359-R401 HydrophobicContact SD-CB 3.99Å; M359-L408 HydrophobicContact CG-CD2 4.34Å; M359-L408 HydrophobicContact SD-CD1 3.99Å; M359-L408 HydrophobicContact SD-CD2 3.48Å; M359-L408 WeakPolarHBondContact SD-CD2 3.45Å; M359-L408 HydrophobicContact SD-CG 4.41Å
360	D	83	Confident	77.1	Confident	78 Å²	78	39.8 Å²	39.8	42%	0.417	22%	0.217	S	C	.	.	H	α-helix	trans	-94.6	-38.1	175.9	-62.9	-39.1	0	0	0	112.3	R254 S356 S357 F358	R254-D360 PolarHBondContact NH1-O 2.83Å; S356-D360 PolarHBondContact O-N 2.82Å; S357-D360 PolarHBondContact O-N 3.31Å; F358-D360 PolarHBondContact O-N 3.32Å
361	Y	87.6	Confident	79.4	Confident	46 Å²	46	39.1 Å²	39.1	18%	0.18	21%	0.213	C	C	.	.	H	α-helix	trans	-116	-2.2	-168.4	-55.7	-66.9	0	0	0	114.7	H256 L259 S357 D376 I377 R378	H256-Y361 AromaticContact NE2-CD1 3.77Å; H256-Y361 AromaticContact NE2-CE1 3.24Å; H256-Y361 WeakPolarHBondContact NE2-CE1 3.27Å; L259-Y361 HydrophobicContact CD2-CD1 4.1Å; L259-Y361 HydrophobicContact CD2-CE1 4.11Å; S357-Y361 WeakPolarHBondContact O-CD2 3.42Å; S357-Y361 PolarHBondContact O-N 2.96Å; S357-Y361 WeakPolarHBondContact OG-CD2 3.5Å; Y361-D376 WeakPolarHBondContact CB-OD1 3.24Å; Y361-I377 HydrophobicContact CD1-CD1 4.23Å; Y361-I377 HydrophobicContact CD1-CG1 4.13Å; Y361-I377 WeakPolarHBondContact O-CG1 3.36Å; Y361-I377 WeakPolarHBondContact O-CG2 3.36Å; Y361-I377 PolarHBondContact O-N 2.83Å; Y361-R378 HydrophobicContact CD1-CG 3.9Å; Y361-R378 HydrophobicContact CE1-CG 4.36Å; Y361-R378 HydrophobicContact CG-CG 4.06Å
362	G	90.9	Very high	81.7	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	143.4	-178.9	0	0	0	0	0	112.4	F333 P334 F358 W375	F333-G362 WeakPolarHBondContact CD1-O 3.25Å; P334-G362 WeakPolarHBondContact CD-O 3.31Å; F358-G362 WeakPolarHBondContact O-CA 3.34Å; F358-G362 PolarHBondContact O-N 2.81Å; G362-W375 CarbonylContact C-O 3.14Å; G362-W375 WeakPolarHBondContact CA-O 3.48Å
363	I	94.3	Very high	83.7	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	145.2	168.4	-171.8	170.1	0	0	0	110.1	A294 V303 L305 F333 S374 W375 I377	A294-I363 HydrophobicContact CB-CD1 3.56Å; V303-I363 HydrophobicContact CG1-CD1 3.8Å; L305-I363 HydrophobicContact CD2-CD1 3.88Å; F333-I363 HydrophobicContact CD1-CB 4.12Å; F333-I363 HydrophobicContact CD1-CD1 4.4Å; F333-I363 HydrophobicContact CD1-CG1 4.19Å; F333-I363 HydrophobicContact CE1-CB 4.01Å; F333-I363 HydrophobicContact CE1-CD1 3.77Å; F333-I363 HydrophobicContact CE1-CG1 4.02Å; F333-I363 HydrophobicContact CZ-CD1 3.84Å; F333-I363 HydrophobicContact CZ-CG1 4.49Å; I363-S374 CarbonylContact O-C 3.54Å; I363-S374 WeakPolarHBondContact O-CA 3.38Å; I363-W375 HydrophobicContact CG2-CB 3.93Å; I363-W375 HydrophobicContact CG2-CE3 4.21Å; I363-W375 PolarHBondContact N-O 2.79Å; I363-W375 PolarHBondContact O-N 2.6Å; I363-I377 HydrophobicContact CB-CG2 4.03Å; I363-I377 HydrophobicContact CG2-CG2 3.62Å
364	F	95.5	Very high	85.4	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.6	171	-67.6	-98.8	0	0	0	110.8	C331 A332 P334 F358 A373 I397 V399 L410 Y424	C331-F364 CarbonylContact C-O 3.51Å; C331-F364 WeakPolarHBondContact CA-O 3.5Å; C331-F364 WeakPolarHBondContact CB-O 3.34Å; A332-F364 PolarHBondContact N-O 3.01Å; A332-F364 PolarHBondContact O-N 2.9Å; P334-F364 HydrophobicContact CG-CE2 4.26Å; F358-F364 AromaticContact CE1-CE2 3.51Å; F358-F364 HydrophobicContact CE1-CE2 3.51Å; F358-F364 AromaticContact CE1-CZ 3.77Å; F358-F364 HydrophobicContact CE1-CZ 3.77Å; F358-F364 HydrophobicContact CZ-CD2 4.38Å; F358-F364 AromaticContact CZ-CE2 3.53Å; F358-F364 HydrophobicContact CZ-CE2 3.53Å; F358-F364 AromaticContact CZ-CZ 3.71Å; F358-F364 HydrophobicContact CZ-CZ 3.71Å; F364-A373 WeakPolarHBondContact CA-O 3.24Å; F364-I397 HydrophobicContact CB-CD1 4.38Å; F364-I397 HydrophobicContact CB-CG2 4.14Å; F364-V399 HydrophobicContact CD2-CB 4.39Å; F364-V399 HydrophobicContact CD2-CG1 4.38Å; F364-V399 HydrophobicContact CD2-CG2 3.6Å; F364-V399 HydrophobicContact CE2-CB 4.31Å; F364-V399 HydrophobicContact CE2-CG1 3.81Å; F364-V399 HydrophobicContact CE2-CG2 3.82Å; F364-V399 HydrophobicContact CG-CG2 4.06Å; F364-V399 HydrophobicContact CZ-CG1 4.39Å; F364-V399 HydrophobicContact CZ-CG2 4.46Å; F364-L410 HydrophobicContact CD1-CD1 3.95Å; F364-L410 HydrophobicContact CD1-CD2 4.08Å; F364-L410 HydrophobicContact CE1-CD1 4.23Å; F364-L410 HydrophobicContact CE1-CD2 3.91Å; F364-L410 HydrophobicContact CG-CD1 4.31Å; F364-Y424 HydrophobicContact CE1-CD1 4.41Å; F364-Y424 AromaticContact CE1-CD2 3.91Å; F364-Y424 HydrophobicContact CE1-CD2 3.91Å; F364-Y424 HydrophobicContact CE1-CE1 4.37Å; F364-Y424 AromaticContact CE1-CE2 3.85Å; F364-Y424 HydrophobicContact CE1-CE2 3.85Å; F364-Y424 HydrophobicContact CE1-CG 4.17Å; F364-Y424 AromaticContact CZ-CD1 3.7Å; F364-Y424 HydrophobicContact CZ-CD1 3.7Å; F364-Y424 HydrophobicContact CZ-CD2 4.03Å; F364-Y424 AromaticContact CZ-CE1 3.67Å; F364-Y424 HydrophobicContact CZ-CE1 3.67Å; F364-Y424 AromaticContact CZ-CE2 4Å; F364-Y424 HydrophobicContact CZ-CE2 4Å; F364-Y424 AromaticContact CZ-CG 3.87Å; F364-Y424 HydrophobicContact CZ-CG 3.87Å; F364-Y424 AromaticContact CZ-CZ 3.82Å
365	A	96.1	Very high	87.1	Confident	1 Å²	1	21 Å²	21	1%	0.008	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	153.2	170.1	0	0	0	0	0	110.3	V303 L321 V328 A330 C331 L372 A373 W375	V303-A365 HydrophobicContact CG2-CB 3.54Å; L321-A365 HydrophobicContact CD1-CB 4.22Å; L321-A365 HydrophobicContact CD2-CB 4.22Å; L321-A365 HydrophobicContact CG-CB 4.31Å; V328-A365 HydrophobicContact CG1-CB 4.47Å; A330-A365 CarbonylContact O-C 3.47Å; A330-A365 WeakPolarHBondContact O-CA 3.11Å; C331-A365 HydrophobicContact CB-CB 4.34Å; A365-L372 CarbonylContact O-C 3.41Å; A365-L372 WeakPolarHBondContact O-CA 3.03Å; A365-A373 PolarHBondContact N-O 3.45Å; A365-A373 PolarHBondContact O-N 3.29Å; A365-W375 HydrophobicContact CB-CH2 4.14Å; A365-W375 HydrophobicContact CB-CZ3 3.69Å
366	G	94.5	Very high	88.6	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	148.9	172.4	0	0	0	0	0	112.4	V328 G329 A330 D371	V328-G366 CarbonylContact C-O 3.49Å; V328-G366 WeakPolarHBondContact CA-O 3.32Å; G329-G366 PolarHBondContact N-O 2.8Å; A330-G366 PolarHBondContact N-O 2.64Å; A330-G366 PolarHBondContact O-N 2.89Å; G366-D371 CarbonylContact C-O 3.47Å; G366-D371 WeakPolarHBondContact CA-O 3.32Å
367	S	92.9	Very high	89.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	162.9	-176.4	77.3	0	0	0	0	112.2	S327 Q369 G370 D371 V394	S327-S367 CarbonylContact O-C 3.6Å; S327-S367 WeakPolarHBondContact O-CA 3.16Å; S367-Q369 PolarHBondContact O-N 3Å; S367-Q369 WeakPolarHBondContact OG-CA 3.42Å; S367-Q369 PolarHBondContact OG-N 2.96Å; S367-G370 PolarHBondContact O-N 2.81Å; S367-G370 VanDerWaalsContact O-N 3.09Å; S367-G370 PolarHBondContact OG-N 2.99Å; S367-G370 VanDerWaalsContact OG-N 3.15Å; S367-D371 PolarHBondContact N-O 2.83Å; S367-D371 WeakPolarHBondContact OG-CB 3.43Å; S367-D371 PolarHBondContact OG-N 3.33Å; S367-D371 PolarHBondContact OG-OD2 2.58Å; S367-V394 PolarHBondContact O-N 2.95Å
368	Q	89.9	Confident	90	Very high	97 Å²	97	22.9 Å²	22.9	45%	0.453	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.3	165.3	-72.6	-174.9	-6.3	0	0	113.3	S327 G370 A393	S327-Q368 PolarHBondContact O-N 3.13Å; Q368-G370 VanDerWaalsContact C-N 3.3Å; Q368-A393 HydrophobicContact CB-CB 4.29Å; Q368-A393 WeakPolarHBondContact O-CA 3.33Å; Q368-A393 WeakPolarHBondContact O-CB 3.5Å
369	Q	88.3	Confident	90	Very high	120 Å²	120	29.1 Å²	29.1	56%	0.561	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-5.2	172.6	-58	-58.1	-25.1	0	0	112.6	S367	S367-Q369 PolarHBondContact O-N 3Å; S367-Q369 WeakPolarHBondContact OG-CA 3.42Å; S367-Q369 PolarHBondContact OG-N 2.96Å
370	G	88.1	Confident	90	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	96.8	2	175	0	0	0	0	0	114.8	S367 Q368 G392 R414	S367-G370 PolarHBondContact O-N 2.81Å; S367-G370 VanDerWaalsContact O-N 3.09Å; S367-G370 PolarHBondContact OG-N 2.99Å; S367-G370 VanDerWaalsContact OG-N 3.15Å; Q368-G370 VanDerWaalsContact C-N 3.3Å; G370-G392 WeakPolarHBondContact CA-O 3.5Å; G370-R414 PolarHBondContact O-NH1 3.15Å; G370-R414 PolarHBondContact O-NH2 3.33Å
371	D	89.1	Confident	90.1	Very high	10 Å²	10	35.4 Å²	35.4	5%	0.053	16%	0.16	C	C	.	.			trans	-68	149.8	174.7	-46.3	-66.1	0	0	0	110.6	S323 G366 S367 L387 T388 H389	S323-D371 VanDerWaalsContact CB-OD2 3.24Å; S323-D371 WeakPolarHBondContact CB-OD2 3.41Å; S323-D371 PolarHBondContact OG-OD2 2.98Å; G366-D371 CarbonylContact C-O 3.47Å; G366-D371 WeakPolarHBondContact CA-O 3.32Å; S367-D371 PolarHBondContact N-O 2.83Å; S367-D371 WeakPolarHBondContact OG-CB 3.43Å; S367-D371 PolarHBondContact OG-N 3.33Å; S367-D371 PolarHBondContact OG-OD2 2.58Å; D371-L387 CarbonylContact C-O 3.51Å; D371-L387 WeakPolarHBondContact CA-O 3.36Å; D371-T388 WeakPolarHBondContact OD1-CA 3.44Å; D371-H389 PolarHBondContact OD1-N 3.36Å
372	L	91.7	Very high	90	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	145.4	169.2	-69.6	161.1	0	0	0	108.4	A365 W385 Q386 L387 V394 I397 V412	A365-L372 CarbonylContact O-C 3.41Å; A365-L372 WeakPolarHBondContact O-CA 3.03Å; L372-W385 HydrophobicContact CB-CH2 4.4Å; L372-W385 HydrophobicContact CB-CZ3 4.11Å; L372-Q386 CarbonylContact O-C 3.43Å; L372-Q386 WeakPolarHBondContact O-CA 3.37Å; L372-L387 HydrophobicContact CB-CB 4.13Å; L372-L387 HydrophobicContact CD1-CD2 4.07Å; L372-L387 PolarHBondContact N-O 2.82Å; L372-L387 PolarHBondContact O-N 2.79Å; L372-V394 HydrophobicContact CD2-CB 4.45Å; L372-V394 HydrophobicContact CD2-CG1 4.01Å; L372-V394 HydrophobicContact CD2-CG2 3.67Å; L372-V394 HydrophobicContact CG-CG2 3.95Å; L372-I397 HydrophobicContact CD2-CD1 3.77Å; L372-I397 HydrophobicContact CD2-CG1 4.26Å; L372-V412 HydrophobicContact CD1-CB 4.39Å; L372-V412 HydrophobicContact CD1-CG1 4.08Å; L372-V412 HydrophobicContact CD1-CG2 3.87Å; L372-V412 HydrophobicContact CD2-CG1 3.99Å; L372-V412 HydrophobicContact CD2-CG2 4.13Å
373	A	92.4	Very high	89.9	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	165.4	168.8	0	0	0	0	0	111.1	L321 P322 F364 A365 W375 P383 W385 Q386	L321-A373 HydrophobicContact CD2-CB 3.97Å; P322-A373 HydrophobicContact CG-CB 4.41Å; F364-A373 WeakPolarHBondContact CA-O 3.24Å; A365-A373 PolarHBondContact N-O 3.45Å; A365-A373 PolarHBondContact O-N 3.29Å; A373-W375 VanDerWaalsContact C-CZ3 3.5Å; A373-W375 HydrophobicContact CB-CE3 4.5Å; A373-W375 HydrophobicContact CB-CH2 3.35Å; A373-W375 HydrophobicContact CB-CZ2 3.71Å; A373-W375 HydrophobicContact CB-CZ3 3.77Å; A373-W375 WeakPolarHBondContact O-CZ3 3.18Å; A373-P383 HydrophobicContact CB-CB 3.99Å; A373-W385 CarbonylContact C-O 3.43Å; A373-W385 WeakPolarHBondContact CA-O 3.3Å; A373-W385 WeakPolarHBondContact CB-O 3.27Å; A373-Q386 HydrophobicContact CB-CB 4.11Å
374	S	93.3	Very high	89.6	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.9	176.7	64.6	0	0	0	0	111.1	I363 P383 L384 W385 Y424	I363-S374 CarbonylContact O-C 3.54Å; I363-S374 WeakPolarHBondContact O-CA 3.38Å; S374-P383 CarbonylContact O-C 3.54Å; S374-P383 VanDerWaalsContact O-CA 3.31Å; S374-P383 WeakPolarHBondContact O-CA 3.43Å; S374-L384 PolarHBondContact O-N 2.62Å; S374-W385 PolarHBondContact N-O 2.79Å; S374-W385 WeakPolarHBondContact OG-CB 3.1Å; S374-W385 PolarHBondContact OG-N 3.48Å; S374-Y424 PolarHBondContact OG-OH 2.79Å
375	W	91.7	Very high	89.3	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.1	177.7	-62	-100.9	0	0	0	110.4	C319 T320 L321 G362 I363 A365 A373 Q382 P383	C319-W375 HydrophobicContact CB-CD2 3.71Å; C319-W375 HydrophobicContact CB-CE3 4.08Å; C319-W375 HydrophobicContact CB-CG 4.03Å; C319-W375 HydrophobicContact CB-CH2 4.46Å; C319-W375 HydrophobicContact CB-CZ2 4.18Å; C319-W375 HydrophobicContact CB-CZ3 4.44Å; T320-W375 WeakPolarHBondContact O-CZ2 3.48Å; L321-W375 HydrophobicContact CD2-CH2 3.68Å; L321-W375 HydrophobicContact CD2-CZ3 4.49Å; L321-W375 HydrophobicContact CG-CH2 4Å; G362-W375 CarbonylContact C-O 3.14Å; G362-W375 WeakPolarHBondContact CA-O 3.48Å; I363-W375 HydrophobicContact CG2-CB 3.93Å; I363-W375 HydrophobicContact CG2-CE3 4.21Å; I363-W375 PolarHBondContact N-O 2.79Å; I363-W375 PolarHBondContact O-N 2.6Å; A365-W375 HydrophobicContact CB-CH2 4.14Å; A365-W375 HydrophobicContact CB-CZ3 3.69Å; A373-W375 VanDerWaalsContact C-CZ3 3.5Å; A373-W375 HydrophobicContact CB-CE3 4.5Å; A373-W375 HydrophobicContact CB-CH2 3.35Å; A373-W375 HydrophobicContact CB-CZ2 3.71Å; A373-W375 HydrophobicContact CB-CZ3 3.77Å; A373-W375 WeakPolarHBondContact O-CZ3 3.18Å; W375-Q382 VanDerWaalsContact CD1-O 3.29Å; W375-P383 HydrophobicContact CZ2-CB 4.14Å
376	D	88.8	Confident	88.9	Confident	16 Å²	16	46.8 Å²	46.8	9%	0.086	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	122.9	153	-168.8	-52.4	0	0	0	107.1	Y361 R378 Q379 L384	Y361-D376 WeakPolarHBondContact CB-OD1 3.24Å; D376-R378 PolarHBondContact O-N 2.97Å; D376-R378 WeakPolarHBondContact OD1-CB 3.09Å; D376-R378 VanDerWaalsContact OD1-CG 3.25Å; D376-R378 WeakPolarHBondContact OD1-CG 3.44Å; D376-R378 IonicContact OD1-CZ 2.66Å; D376-R378 PolarHBondContact OD1-N 2.89Å; D376-R378 IonicContact OD1-NE 2.66Å; D376-R378 PolarHBondContact OD1-NE 3.02Å; D376-R378 IonicContact OD1-NH2 3.14Å; D376-R378 IonicContact OD2-CZ 3.54Å; D376-R378 IonicContact OD2-NE 3.15Å; D376-R378 PolarHBondContact OD2-NE 3.43Å; D376-R378 IonicContact OD2-NH2 3.96Å; D376-R378 PolarHBondContact OD2-NH2 2.95Å; D376-Q379 CarbonylContact O-C 3.55Å; D376-Q379 WeakPolarHBondContact O-CA 3.38Å; D376-Q379 PolarHBondContact O-N 2.84Å; D376-L384 HydrophobicContact CB-CD1 4.03Å; D376-L384 HydrophobicContact CB-CD2 4.46Å; D376-L384 HydrophobicContact CB-CG 4.47Å; D376-L384 VanDerWaalsContact N-CD1 3.32Å
377	I	87.8	Confident	88.4	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.021	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-13.1	-178.1	65.1	-175.6	0	0	0	113.4	L259 L292 L305 Y361 I363 Q379 T380	L259-I377 HydrophobicContact CD1-CD1 4.45Å; L259-I377 HydrophobicContact CD2-CD1 3.55Å; L259-I377 HydrophobicContact CD2-CG1 4.18Å; L292-I377 HydrophobicContact CD2-CD1 3.54Å; L305-I377 HydrophobicContact CD1-CB 3.75Å; L305-I377 HydrophobicContact CD1-CG2 3.52Å; Y361-I377 HydrophobicContact CD1-CD1 4.23Å; Y361-I377 HydrophobicContact CD1-CG1 4.13Å; Y361-I377 WeakPolarHBondContact O-CG1 3.36Å; Y361-I377 WeakPolarHBondContact O-CG2 3.36Å; Y361-I377 PolarHBondContact O-N 2.83Å; I363-I377 HydrophobicContact CB-CG2 4.03Å; I363-I377 HydrophobicContact CG2-CG2 3.62Å; I377-Q379 VanDerWaalsContact C-N 3.3Å; I377-T380 WeakPolarHBondContact O-CG2 3.26Å
378	R	84	Confident	87.8	Confident	98 Å²	98	48.1 Å²	48.1	37%	0.37	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-17.5	170.7	-54.2	171.7	-65.8	-177.1	0.4	112.1	S357 Y361 D376	S357-R378 PolarHBondContact OG-NH1 3.19Å; S357-R378 PolarHBondContact OG-NH2 3.03Å; Y361-R378 HydrophobicContact CD1-CG 3.9Å; Y361-R378 HydrophobicContact CE1-CG 4.36Å; Y361-R378 HydrophobicContact CG-CG 4.06Å; D376-R378 PolarHBondContact O-N 2.97Å; D376-R378 WeakPolarHBondContact OD1-CB 3.09Å; D376-R378 VanDerWaalsContact OD1-CG 3.25Å; D376-R378 WeakPolarHBondContact OD1-CG 3.44Å; D376-R378 IonicContact OD1-CZ 2.66Å; D376-R378 PolarHBondContact OD1-N 2.89Å; D376-R378 IonicContact OD1-NE 2.66Å; D376-R378 PolarHBondContact OD1-NE 3.02Å; D376-R378 IonicContact OD1-NH2 3.14Å; D376-R378 IonicContact OD2-CZ 3.54Å; D376-R378 IonicContact OD2-NE 3.15Å; D376-R378 PolarHBondContact OD2-NE 3.43Å; D376-R378 IonicContact OD2-NH2 3.96Å; D376-R378 PolarHBondContact OD2-NH2 2.95Å
379	Q	84.2	Confident	87	Confident	135 Å²	135	50.1 Å²	50.1	63%	0.631	23%	0.234	S	C	*	.			trans	-138	71.9	-177.4	-62.6	-173.8	1.1	0	0	110.9	D376 I377 K381	D376-Q379 CarbonylContact O-C 3.55Å; D376-Q379 WeakPolarHBondContact O-CA 3.38Å; D376-Q379 PolarHBondContact O-N 2.84Å; I377-Q379 VanDerWaalsContact C-N 3.3Å; Q379-K381 VanDerWaalsContact C-N 3.35Å; Q379-K381 PolarHBondContact O-N 3.24Å
380	T	86.1	Confident	86.6	Confident	29 Å²	29	44.9 Å²	44.9	18%	0.178	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.8	-171.6	66.8	0	0	0	0	115.6	A317 Q318 C319 I377 Q382	A317-T380 HydrophobicContact CB-CG2 3.95Å; Q318-T380 WeakPolarHBondContact O-CB 3.26Å; Q318-T380 PolarHBondContact O-OG1 2.87Å; C319-T380 VanDerWaalsContact SG-CG2 3.57Å; I377-T380 WeakPolarHBondContact O-CG2 3.26Å; T380-Q382 VanDerWaalsContact C-N 3.32Å; T380-Q382 PolarHBondContact O-N 2.84Å
381	K	84.8	Confident	86.3	Confident	185 Å²	185	51.3 Å²	51.3	80%	0.804	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-32.7	-174.6	-70.4	-173.8	179.2	179.6	0	113.7	Q379	Q379-K381 VanDerWaalsContact C-N 3.35Å; Q379-K381 PolarHBondContact O-N 3.24Å
382	Q	84.7	Confident	86.2	Confident	144 Å²	144	51.8 Å²	51.8	67%	0.673	25%	0.245	S	C	*	.	S	Bend	trans	-136.5	140.4	-178.6	-68.1	-62.8	-28	0	0	109.4	W375 T380	W375-Q382 VanDerWaalsContact CD1-O 3.29Å; T380-Q382 VanDerWaalsContact C-N 3.32Å; T380-Q382 PolarHBondContact O-N 2.84Å
383	P	89.3	Confident	86.2	Confident	31 Å²	31	52.4 Å²	52.4	20%	0.201	25%	0.25	C	S	.	.			trans	-64.1	141.3	173.4	28.6	-33.3	0	0	0	110.4	A373 S374 W375 W385 Q386	A373-P383 HydrophobicContact CB-CB 3.99Å; S374-P383 CarbonylContact O-C 3.54Å; S374-P383 VanDerWaalsContact O-CA 3.31Å; S374-P383 WeakPolarHBondContact O-CA 3.43Å; W375-P383 HydrophobicContact CZ2-CB 4.14Å; P383-W385 VanDerWaalsContact C-N 3.34Å; P383-Q386 HydrophobicContact CG-CB 4.43Å
384	L	87.8	Confident	86.3	Confident	24 Å²	24	52.4 Å²	52.4	13%	0.126	25%	0.25	C	S	.	.	S	Bend	trans	-67.7	-39.7	169.9	-66.8	176	0	0	0	111.1	F358 S374 D376 A429 H430	F358-L384 HydrophobicContact CD2-CD1 3.79Å; F358-L384 HydrophobicContact CE2-CD1 3.6Å; S374-L384 PolarHBondContact O-N 2.62Å; D376-L384 HydrophobicContact CB-CD1 4.03Å; D376-L384 HydrophobicContact CB-CD2 4.46Å; D376-L384 HydrophobicContact CB-CG 4.47Å; D376-L384 VanDerWaalsContact N-CD1 3.32Å; L384-A429 CarbonylContact O-C 3.52Å; L384-A429 VanDerWaalsContact O-C 3.29Å; L384-H430 WeakPolarHBondContact CD2-CE1 3.2Å
385	W	88.7	Confident	86.3	Confident	15 Å²	15	55.1 Å²	55.1	6%	0.057	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.7	179.3	169.6	87.6	0	0	0	109	L372 A373 S374 P383 L387 L410 Y424 A429 I435	L372-W385 HydrophobicContact CB-CH2 4.4Å; L372-W385 HydrophobicContact CB-CZ3 4.11Å; A373-W385 CarbonylContact C-O 3.43Å; A373-W385 WeakPolarHBondContact CA-O 3.3Å; A373-W385 WeakPolarHBondContact CB-O 3.27Å; S374-W385 PolarHBondContact N-O 2.79Å; S374-W385 WeakPolarHBondContact OG-CB 3.1Å; S374-W385 PolarHBondContact OG-N 3.48Å; P383-W385 VanDerWaalsContact C-N 3.34Å; W385-L387 HydrophobicContact CH2-CB 3.67Å; W385-L387 HydrophobicContact CH2-CD2 4.24Å; W385-L387 HydrophobicContact CH2-CG 4.43Å; W385-L387 HydrophobicContact CZ2-CB 3.83Å; W385-L387 HydrophobicContact CZ2-CD1 4.12Å; W385-L387 HydrophobicContact CZ2-CD2 4.5Å; W385-L387 HydrophobicContact CZ2-CG 4.4Å; W385-L387 HydrophobicContact CZ3-CB 4.35Å; W385-L410 HydrophobicContact CH2-CD2 4.1Å; W385-L410 HydrophobicContact CZ3-CD2 3.94Å; W385-Y424 HydrophobicContact CB-CE2 3.88Å; W385-Y424 HydrophobicContact CD2-CD2 4.37Å; W385-Y424 HydrophobicContact CD2-CE2 4.03Å; W385-Y424 HydrophobicContact CE3-CD2 4.38Å; W385-Y424 HydrophobicContact CE3-CE2 4.07Å; W385-Y424 AromaticContact CG-CE2 3.97Å; W385-Y424 HydrophobicContact CG-CE2 3.97Å; W385-A429 HydrophobicContact CB-CB 3.94Å; W385-I435 HydrophobicContact CH2-CD1 4.21Å; W385-I435 HydrophobicContact CZ2-CD1 3.42Å; W385-I435 VanDerWaalsContact CZ2-CD1 3.42Å; W385-I435 HydrophobicContact CZ2-CG1 4.22Å
386	Q	87.7	Confident	86.5	Confident	72 Å²	72	56.5 Å²	56.5	34%	0.336	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.8	-179.2	61.2	-178.7	-8.1	0	0	112	P322 L372 A373 P383	P322-Q386 HydrophobicContact CG-CB 3.98Å; L372-Q386 CarbonylContact O-C 3.43Å; L372-Q386 WeakPolarHBondContact O-CA 3.37Å; A373-Q386 HydrophobicContact CB-CB 4.11Å; P383-Q386 HydrophobicContact CG-CB 4.43Å
387	L	84.8	Confident	86.9	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	113.8	174.2	-164.3	72	0	0	0	109.4	F2 D371 L372 W385 E390	F2-L387 HydrophobicContact CD2-CD1 3.05Å; F2-L387 HydrophobicContact CD2-CD2 3.52Å; F2-L387 HydrophobicContact CD2-CG 3.59Å; F2-L387 HydrophobicContact CE2-CD1 3.19Å; F2-L387 HydrophobicContact CE2-CD2 3.56Å; F2-L387 HydrophobicContact CE2-CG 3.88Å; F2-L387 HydrophobicContact CG-CD1 4.09Å; F2-L387 HydrophobicContact CZ-CD1 4.33Å; D371-L387 CarbonylContact C-O 3.51Å; D371-L387 WeakPolarHBondContact CA-O 3.36Å; L372-L387 HydrophobicContact CB-CB 4.13Å; L372-L387 HydrophobicContact CD1-CD2 4.07Å; L372-L387 PolarHBondContact N-O 2.82Å; L372-L387 PolarHBondContact O-N 2.79Å; W385-L387 HydrophobicContact CH2-CB 3.67Å; W385-L387 HydrophobicContact CH2-CD2 4.24Å; W385-L387 HydrophobicContact CH2-CG 4.43Å; W385-L387 HydrophobicContact CZ2-CB 3.83Å; W385-L387 HydrophobicContact CZ2-CD1 4.12Å; W385-L387 HydrophobicContact CZ2-CD2 4.5Å; W385-L387 HydrophobicContact CZ2-CG 4.4Å; W385-L387 HydrophobicContact CZ3-CB 4.35Å; L387-E390 HydrophobicContact CD2-CG 3.73Å; L387-E390 HydrophobicContact CG-CG 4.17Å
388	T	81.1	Confident	87.2	Confident	26 Å²	26	57.8 Å²	57.8	16%	0.16	27%	0.273	C	S	.	.			trans	-116.6	156.1	-175.8	57.7	0	0	0	0	111.5	P322 D371 E390	P322-T388 HydrophobicContact CB-CG2 4.06Å; P322-T388 HydrophobicContact CG-CG2 4.34Å; D371-T388 WeakPolarHBondContact OD1-CA 3.44Å; T388-E390 VanDerWaalsContact C-N 3.28Å; T388-E390 PolarHBondContact O-N 2.82Å
389	H	72.5	Confident	87.6	Confident	138 Å²	138	53.1 Å²	53.1	64%	0.639	26%	0.255	S	S	*	.	S	Bend	trans	68.7	15	176.9	-45.5	-74.7	0	0	0	116.1	D371	D371-H389 PolarHBondContact OD1-N 3.36Å
390	E	79.4	Confident	87.8	Confident	11 Å²	11	46.7 Å²	46.7	5%	0.051	23%	0.225	C	C	.	.			trans	-69.1	135.5	167.7	-86.5	-67.7	154.8	0	0	110.2	F2 L387 T388 R414 R418	F2-E390 HydrophobicContact CB-CG 4.37Å; F2-E390 WeakPolarHBondContact CB-OE1 3.32Å; F2-E390 HydrophobicContact CD2-CG 4.18Å; F2-E390 VanDerWaalsContact CD2-OE1 3.24Å; F2-E390 WeakPolarHBondContact CD2-OE1 3.4Å; F2-E390 VanDerWaalsContact CG-OE1 3.26Å; F2-E390 WeakPolarHBondContact CG-OE1 3.37Å; L387-E390 HydrophobicContact CD2-CG 3.73Å; L387-E390 HydrophobicContact CG-CG 4.17Å; T388-E390 VanDerWaalsContact C-N 3.28Å; T388-E390 PolarHBondContact O-N 2.82Å; E390-R414 VanDerWaalsContact CB-NH2 3.35Å; E390-R418 IonicContact OE2-CZ 3.08Å; E390-R418 IonicContact OE2-NH1 2.78Å; E390-R418 PolarHBondContact OE2-NH1 3.49Å; E390-R418 VanDerWaalsContact OE2-NH1 3.15Å; E390-R418 IonicContact OE2-NH2 3.56Å
391	K	81.8	Confident	87.6	Confident	135 Å²	135	47.5 Å²	47.5	59%	0.587	23%	0.225	S	C	*	.	S	Bend	trans	-69.1	154.7	175.6	-68	-176.8	178.8	177.7	0	110.5	R414 R418	K391-R414 PolarHBondContact O-NH1 2.9Å; K391-R418 PolarHBondContact O-NH2 3.38Å
392	G	87.4	Confident	87.1	Confident	19 Å²	19	39.9 Å²	39.9	20%	0.196	19%	0.191	C	C	.	.	S	Bend	trans	79.7	126.2	174.5	0	0	0	0	0	112.8	G370 R414	G370-G392 WeakPolarHBondContact CA-O 3.5Å; G392-R414 PolarHBondContact O-NH1 2.77Å
393	A	91.4	Very high	86.2	Confident	14 Å²	14	34.2 Å²	34.2	12%	0.116	17%	0.169	C	C	.	.			trans	-57.7	136	176.8	0	0	0	0	0	110.3	Q368 Q395 R414 S415	Q368-A393 HydrophobicContact CB-CB 4.29Å; Q368-A393 WeakPolarHBondContact O-CA 3.33Å; Q368-A393 WeakPolarHBondContact O-CB 3.5Å; A393-Q395 PolarHBondContact O-N 3.16Å; A393-R414 CarbonylContact O-C 3.56Å; A393-R414 WeakPolarHBondContact O-CA 2.98Å; A393-S415 WeakPolarHBondContact CB-OG 3.36Å; A393-S415 PolarHBondContact N-OG 2.8Å; A393-S415 PolarHBondContact O-N 2.87Å
394	V	94.3	Very high	85	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.7	171.5	179	0	0	0	0	108.6	G329 A330 S367 L372 I397 V412	G329-V394 WeakPolarHBondContact CA-O 3.25Å; A330-V394 HydrophobicContact CB-CG1 4.1Å; S367-V394 PolarHBondContact O-N 2.95Å; L372-V394 HydrophobicContact CD2-CB 4.45Å; L372-V394 HydrophobicContact CD2-CG1 4.01Å; L372-V394 HydrophobicContact CD2-CG2 3.67Å; L372-V394 HydrophobicContact CG-CG2 3.95Å; V394-I397 HydrophobicContact CG1-CD1 4.01Å; V394-I397 HydrophobicContact CG1-CG1 3.76Å; V394-V412 HydrophobicContact CG1-CG1 3.78Å; V394-V412 HydrophobicContact CG2-CG1 4.27Å
395	Q	94.6	Very high	84	Confident	57 Å²	57	36.6 Å²	36.6	27%	0.266	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-41.8	-179	-66.9	-62.2	-69.3	0	0	111.9	A393 S413 I449	A393-Q395 PolarHBondContact O-N 3.16Å; Q395-S413 PolarHBondContact N-O 3.22Å; Q395-I449 WeakPolarHBondContact CB-O 3.4Å; Q395-I449 WeakPolarHBondContact CG-O 3.45Å
396	Q	95.5	Very high	83.2	Confident	31 Å²	31	41.1 Å²	41.1	15%	0.145	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	146.1	-179.6	-161.9	163.2	-7.4	0	0	110.5	R398 V412 S413 L452	Q396-R398 VanDerWaalsContact NE2-NH1 3.19Å; Q396-V412 WeakPolarHBondContact O-CA 3.35Å; Q396-S413 VanDerWaalsContact CB-OG 3.27Å; Q396-S413 WeakPolarHBondContact CB-OG 3.34Å; Q396-S413 PolarHBondContact N-OG 3.17Å; Q396-S413 VanDerWaalsContact N-OG 3.09Å; Q396-S413 PolarHBondContact O-N 3.01Å; Q396-S413 PolarHBondContact O-OG 3.22Å; Q396-L452 HydrophobicContact CB-CB 3.95Å; Q396-L452 HydrophobicContact CB-CD2 4.28Å; Q396-L452 HydrophobicContact CG-CB 3.92Å; Q396-L452 HydrophobicContact CG-CD2 4.44Å; Q396-L452 PolarHBondContact NE2-O 3.29Å
397	I	96.7	Very high	82.8	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	138.2	177.3	-60.2	170.6	0	0	0	107.9	A330 A332 F364 L372 V394 V399 L410 V411 V412	A330-I397 HydrophobicContact CB-CD1 4.17Å; A330-I397 HydrophobicContact CB-CG1 3.98Å; A332-I397 HydrophobicContact CB-CB 3.89Å; A332-I397 HydrophobicContact CB-CG2 3.76Å; F364-I397 HydrophobicContact CB-CD1 4.38Å; F364-I397 HydrophobicContact CB-CG2 4.14Å; L372-I397 HydrophobicContact CD2-CD1 3.77Å; L372-I397 HydrophobicContact CD2-CG1 4.26Å; V394-I397 HydrophobicContact CG1-CD1 4.01Å; V394-I397 HydrophobicContact CG1-CG1 3.76Å; I397-V399 HydrophobicContact CG2-CG2 3.85Å; I397-L410 HydrophobicContact CG2-CD1 3.58Å; I397-V411 WeakPolarHBondContact CA-O 2.99Å; I397-V412 HydrophobicContact CG1-CG1 4.48Å; I397-V412 HydrophobicContact CG1-CG2 4.48Å
398	R	95	Very high	82.9	Confident	45 Å²	45	39.4 Å²	39.4	17%	0.17	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	138.3	165.7	-69.8	-66.3	-176.3	-87.6	4.6	109	Q396 V411 L452 M454	Q396-R398 VanDerWaalsContact NE2-NH1 3.19Å; R398-V411 HydrophobicContact CB-CB 4.4Å; R398-V411 PolarHBondContact N-O 3.4Å; R398-V411 PolarHBondContact O-N 3.24Å; R398-L452 HydrophobicContact CB-CD2 4.41Å; R398-L452 HydrophobicContact CG-CD2 4.14Å; R398-L452 HydrophobicContact CG-CG 4.26Å; R398-M454 HydrophobicContact CB-CG 3.95Å; R398-M454 HydrophobicContact CB-SD 3.49Å; R398-M454 WeakPolarHBondContact CB-SD 3.38Å; R398-M454 HydrophobicContact CG-CG 4.26Å; R398-M454 HydrophobicContact CG-SD 4.41Å
399	V	92.5	Very high	83.2	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	125.5	-179	-175	0	0	0	0	108.6	P334 E335 F364 I397 L408 L409 L410	P334-V399 HydrophobicContact CB-CG1 4.15Å; P334-V399 HydrophobicContact CG-CG1 4.36Å; E335-V399 PolarHBondContact N-O 2.85Å; F364-V399 HydrophobicContact CD2-CB 4.39Å; F364-V399 HydrophobicContact CD2-CG1 4.38Å; F364-V399 HydrophobicContact CD2-CG2 3.6Å; F364-V399 HydrophobicContact CE2-CB 4.31Å; F364-V399 HydrophobicContact CE2-CG1 3.81Å; F364-V399 HydrophobicContact CE2-CG2 3.82Å; F364-V399 HydrophobicContact CG-CG2 4.06Å; F364-V399 HydrophobicContact CZ-CG1 4.39Å; F364-V399 HydrophobicContact CZ-CG2 4.46Å; I397-V399 HydrophobicContact CG2-CG2 3.85Å; V399-L408 HydrophobicContact CG1-CB 4.06Å; V399-L408 HydrophobicContact CG1-CD1 4.02Å; V399-L409 VanDerWaalsContact CA-O 3.29Å; V399-L409 WeakPolarHBondContact CA-O 3.43Å; V399-L410 HydrophobicContact CG2-CD1 3.56Å
400	C	88.5	Confident	84.1	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	150.3	177.3	73.5	0	0	0	0	111.9	E335 L408 L409 M454 Y456	E335-C400 WeakPolarHBondContact O-CA 3.23Å; C400-L408 WeakPolarHBondContact O-CA 3.38Å; C400-L409 PolarHBondContact N-O 3.2Å; C400-L409 VanDerWaalsContact N-O 3.11Å; C400-L409 PolarHBondContact O-N 3.47Å; C400-M454 HydrophobicContact CB-CE 4.21Å; C400-M454 HydrophobicContact CB-SD 4.47Å; C400-M454 WeakPolarHBondContact SG-CE 3.45Å; C400-Y456 HydrophobicContact CB-CE1 3.94Å; C400-Y456 VanDerWaalsContact CB-OH 3.3Å; C400-Y456 WeakPolarHBondContact CB-OH 3.38Å
401	R	81	Confident	84.9	Confident	46 Å²	46	31 Å²	31	17%	0.174	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.5	168.6	-173.4	177.7	-176.1	-178.7	4.9	110.4	E335 I337 M359 L408	E335-R401 PolarHBondContact O-N 3.42Å; I337-R401 WeakPolarHBondContact CD1-O 3.3Å; I337-R401 WeakPolarHBondContact CG1-O 3.47Å; M359-R401 HydrophobicContact CE-CB 4.1Å; M359-R401 HydrophobicContact SD-CB 3.99Å; R401-L408 HydrophobicContact CB-CD2 3.54Å; R401-L408 HydrophobicContact CG-CD2 3.85Å
402	R	73.6	Confident	85.5	Confident	24 Å²	24	24.6 Å²	24.6	9%	0.091	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-79.3	145.6	172.6	-174	174.8	172.2	162.2	7.7	111.5	N404 C405 I462 D481 E482	R402-N404 PolarHBondContact O-N 3.43Å; R402-C405 HydrophobicContact CB-CB 4.01Å; R402-C405 PolarHBondContact O-N 2.75Å; R402-I462 HydrophobicContact CB-CD1 4.19Å; R402-I462 HydrophobicContact CG-CD1 4.16Å; R402-D481 IonicContact CZ-OD1 2.76Å; R402-D481 VanDerWaalsContact NH1-CG 3.27Å; R402-D481 IonicContact NH1-OD1 3.86Å; R402-D481 PolarHBondContact NH1-OD1 3.18Å; R402-D481 IonicContact NH1-OD2 3.35Å; R402-D481 PolarHBondContact NH1-OD2 3.37Å; R402-D481 VanDerWaalsContact NH1-OD2 3.08Å; R402-E482 IonicContact CZ-OE1 3.35Å; R402-E482 IonicContact CZ-OE2 2.84Å; R402-E482 IonicContact NH2-OE1 3.87Å; R402-E482 PolarHBondContact NH2-OE1 3.35Å; R402-E482 VanDerWaalsContact NH2-OE1 3.14Å; R402-E482 IonicContact NH2-OE2 3.78Å; R402-E482 PolarHBondContact NH2-OE2 2.77Å
403	A	67.1	Low	85.9	Confident	26 Å²	26	23.7 Å²	23.7	22%	0.215	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	132.4	172	0	0	0	0	0	110.4	F347 C405	F347-A403 HydrophobicContact CE1-CB 4.11Å; A403-C405 PolarHBondContact O-N 3.44Å
404	N	64.7	Low	86	Confident	85 Å²	85	23 Å²	23	46%	0.455	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	11.4	178.9	-50.8	-31	0	0	0	116.3	R402	R402-N404 PolarHBondContact O-N 3.43Å
405	C	66.9	Low	85.9	Confident	20 Å²	20	25.2 Å²	25.2	14%	0.135	13%	0.126	C	C	.	.			trans	-103.4	148.6	173.8	-65.5	0	0	0	0	111.8	R402 A403 Y407	R402-C405 HydrophobicContact CB-CB 4.01Å; R402-C405 PolarHBondContact O-N 2.75Å; A403-C405 PolarHBondContact O-N 3.44Å; C405-Y407 HydrophobicContact CB-CD1 4.3Å; C405-Y407 HydrophobicContact CB-CE1 4.11Å
406	Q	70.2	Confident	85.7	Confident	110 Å²	110	24 Å²	24	51%	0.514	12%	0.121	S	C	.	.	S	Bend	trans	-80.3	-28	171.6	-78.1	-175.9	11.1	0	0	112.5	V350 V355	V350-Q406 HydrophobicContact CG1-CG 3.23Å; V355-Q406 WeakPolarHBondContact CG2-O 3.47Å
407	Y	79.4	Confident	85.5	Confident	38 Å²	38	22.5 Å²	22.5	15%	0.149	11%	0.114	C	C	.	.	S	Bend	trans	-95.8	161.4	-179.3	62.6	-92.6	0	0	0	112.5	C405 L409 P423 Y424 F485	C405-Y407 HydrophobicContact CB-CD1 4.3Å; C405-Y407 HydrophobicContact CB-CE1 4.11Å; Y407-L409 HydrophobicContact CD2-CD2 4.3Å; Y407-L409 HydrophobicContact CE2-CD2 3.74Å; Y407-L409 HydrophobicContact CE2-CG 4.35Å; Y407-P423 HydrophobicContact CD2-CB 3.9Å; Y407-P423 HydrophobicContact CE2-CB 4.23Å; Y407-P423 HydrophobicContact CG-CB 4.26Å; Y407-Y424 CarbonylContact C-O 3.51Å; Y407-Y424 WeakPolarHBondContact CA-O 3.4Å; Y407-Y424 WeakPolarHBondContact CB-O 3.42Å; Y407-F485 HydrophobicContact CE1-CB 4.5Å; Y407-F485 HydrophobicContact CE2-CD2 4.13Å
408	L	86.7	Confident	85.3	Confident	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	149.7	168.6	-54.7	-177.8	0	0	0	109.9	P334 V355 F358 M359 V399 C400 R401 Y424 P426	P334-L408 HydrophobicContact CB-CD1 4.31Å; P334-L408 HydrophobicContact CG-CD1 4.38Å; V355-L408 HydrophobicContact CG1-CD2 4.28Å; F358-L408 HydrophobicContact CD1-CD1 3.61Å; F358-L408 HydrophobicContact CE1-CD1 3.69Å; M359-L408 HydrophobicContact CG-CD2 4.34Å; M359-L408 HydrophobicContact SD-CD1 3.99Å; M359-L408 HydrophobicContact SD-CD2 3.48Å; M359-L408 WeakPolarHBondContact SD-CD2 3.45Å; M359-L408 HydrophobicContact SD-CG 4.41Å; V399-L408 HydrophobicContact CG1-CB 4.06Å; V399-L408 HydrophobicContact CG1-CD1 4.02Å; C400-L408 WeakPolarHBondContact O-CA 3.38Å; R401-L408 HydrophobicContact CB-CD2 3.54Å; R401-L408 HydrophobicContact CG-CD2 3.85Å; L408-Y424 HydrophobicContact CB-CD1 4.38Å; L408-Y424 HydrophobicContact CD1-CD1 4.21Å; L408-Y424 PolarHBondContact N-O 3.28Å; L408-Y424 PolarHBondContact O-N 2.86Å; L408-P426 HydrophobicContact CD1-CG 4.4Å
409	L	88.6	Confident	85.2	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.8	168.8	-68.3	175.3	0	0	0	108.9	V399 C400 Y407 V421 I462 L479 D481 F485	V399-L409 VanDerWaalsContact CA-O 3.29Å; V399-L409 WeakPolarHBondContact CA-O 3.43Å; C400-L409 PolarHBondContact N-O 3.2Å; C400-L409 VanDerWaalsContact N-O 3.11Å; C400-L409 PolarHBondContact O-N 3.47Å; Y407-L409 HydrophobicContact CD2-CD2 4.3Å; Y407-L409 HydrophobicContact CE2-CD2 3.74Å; Y407-L409 HydrophobicContact CE2-CG 4.35Å; L409-V421 HydrophobicContact CD2-CG1 3.97Å; L409-I462 HydrophobicContact CD1-CD1 3.66Å; L409-L479 HydrophobicContact CD1-CD1 4.31Å; L409-D481 WeakPolarHBondContact CD1-OD2 3.37Å; L409-F485 HydrophobicContact CD2-CD2 4.15Å; L409-F485 HydrophobicContact CD2-CE2 3.78Å
410	L	92	Very high	85.2	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	108.9	172.4	168.6	63.6	0	0	0	108.7	F364 W385 I397 V399 V412 V421 Y422	F364-L410 HydrophobicContact CD1-CD1 3.95Å; F364-L410 HydrophobicContact CD1-CD2 4.08Å; F364-L410 HydrophobicContact CE1-CD1 4.23Å; F364-L410 HydrophobicContact CE1-CD2 3.91Å; F364-L410 HydrophobicContact CG-CD1 4.31Å; W385-L410 HydrophobicContact CH2-CD2 4.1Å; W385-L410 HydrophobicContact CZ3-CD2 3.94Å; I397-L410 HydrophobicContact CG2-CD1 3.58Å; V399-L410 HydrophobicContact CG2-CD1 3.56Å; L410-V412 HydrophobicContact CD1-CG2 3.73Å; L410-V412 HydrophobicContact CD2-CG2 4.33Å; L410-V412 HydrophobicContact CG-CG2 3.79Å; L410-V421 WeakPolarHBondContact O-CA 3.26Å; L410-Y422 HydrophobicContact CD2-CD2 4.24Å; L410-Y422 HydrophobicContact CG-CD2 4.26Å; L410-Y422 PolarHBondContact N-O 3.4Å; L410-Y422 PolarHBondContact O-N 3.23Å
411	V	94.5	Very high	85.4	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.9	177.4	-168.4	0	0	0	0	109.3	I397 R398 T419 L420 V421 L452 M454 V464	I397-V411 WeakPolarHBondContact CA-O 2.99Å; R398-V411 HydrophobicContact CB-CB 4.4Å; R398-V411 PolarHBondContact N-O 3.4Å; R398-V411 PolarHBondContact O-N 3.24Å; V411-T419 HydrophobicContact CG1-CG2 3.79Å; V411-L420 CarbonylContact C-O 3.57Å; V411-L420 WeakPolarHBondContact CA-O 3.3Å; V411-V421 HydrophobicContact CG1-CG2 4.17Å; V411-V421 HydrophobicContact CG2-CG1 4.34Å; V411-V421 HydrophobicContact CG2-CG2 4.17Å; V411-L452 HydrophobicContact CB-CD2 4.37Å; V411-L452 HydrophobicContact CG1-CD1 3.89Å; V411-L452 HydrophobicContact CG1-CD2 3.95Å; V411-L452 HydrophobicContact CG1-CG 4.39Å; V411-M454 HydrophobicContact CB-SD 4.44Å; V411-M454 HydrophobicContact CG2-CE 3.96Å; V411-M454 HydrophobicContact CG2-SD 3.82Å; V411-V464 HydrophobicContact CG1-CG1 4.32Å
412	V	95	Very high	85.7	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.2	-174.6	-174.2	0	0	0	0	110.4	L372 V394 Q396 I397 L410 R414 T419 L420 Y422	L372-V412 HydrophobicContact CD1-CB 4.39Å; L372-V412 HydrophobicContact CD1-CG1 4.08Å; L372-V412 HydrophobicContact CD1-CG2 3.87Å; L372-V412 HydrophobicContact CD2-CG1 3.99Å; L372-V412 HydrophobicContact CD2-CG2 4.13Å; V394-V412 HydrophobicContact CG1-CG1 3.78Å; V394-V412 HydrophobicContact CG2-CG1 4.27Å; Q396-V412 WeakPolarHBondContact O-CA 3.35Å; I397-V412 HydrophobicContact CG1-CG1 4.48Å; I397-V412 HydrophobicContact CG1-CG2 4.48Å; L410-V412 HydrophobicContact CD1-CG2 3.73Å; L410-V412 HydrophobicContact CD2-CG2 4.33Å; L410-V412 HydrophobicContact CG-CG2 3.79Å; V412-R414 HydrophobicContact CG1-CG 4.44Å; V412-T419 CarbonylContact O-C 3.5Å; V412-T419 WeakPolarHBondContact O-CA 3.27Å; V412-L420 PolarHBondContact N-O 3.48Å; V412-L420 PolarHBondContact O-N 3.27Å; V412-Y422 HydrophobicContact CG2-CD2 4.45Å; V412-Y422 HydrophobicContact CG2-CE2 4.32Å
413	S	95.5	Very high	86.2	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	148.3	169.8	70.4	0	0	0	0	111.7	Q395 Q396 R418	Q395-S413 PolarHBondContact N-O 3.22Å; Q396-S413 VanDerWaalsContact CB-OG 3.27Å; Q396-S413 WeakPolarHBondContact CB-OG 3.34Å; Q396-S413 PolarHBondContact N-OG 3.17Å; Q396-S413 VanDerWaalsContact N-OG 3.09Å; Q396-S413 PolarHBondContact O-N 3.01Å; Q396-S413 PolarHBondContact O-OG 3.22Å; S413-R418 CarbonylContact C-O 3.52Å; S413-R418 WeakPolarHBondContact CA-O 3.42Å
414	R	93.7	Very high	87.1	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	159.4	-174.5	-64.9	-176.6	175.8	-92.6	-1.3	112.8	G370 E390 K391 G392 A393 V412 D416 G417 R418	G370-R414 PolarHBondContact O-NH1 3.15Å; G370-R414 PolarHBondContact O-NH2 3.33Å; E390-R414 VanDerWaalsContact CB-NH2 3.35Å; K391-R414 PolarHBondContact O-NH1 2.9Å; G392-R414 PolarHBondContact O-NH1 2.77Å; A393-R414 CarbonylContact O-C 3.56Å; A393-R414 WeakPolarHBondContact O-CA 2.98Å; V412-R414 HydrophobicContact CG1-CG 4.44Å; R414-D416 VanDerWaalsContact CB-OD1 3.31Å; R414-D416 WeakPolarHBondContact CB-OD1 3.22Å; R414-D416 PolarHBondContact O-N 3.33Å; R414-G417 PolarHBondContact O-N 3.42Å; R414-G417 VanDerWaalsContact O-N 3.12Å; R414-R418 PolarHBondContact N-O 3.44Å
415	S	92.9	Very high	88	Confident	45 Å²	45	14.5 Å²	14.5	32%	0.315	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-14.7	-178.2	67.5	0	0	0	0	114.5	A393 S448	A393-S415 WeakPolarHBondContact CB-OG 3.36Å; A393-S415 PolarHBondContact N-OG 2.8Å; A393-S415 PolarHBondContact O-N 2.87Å; S415-S448 WeakPolarHBondContact CA-OG 3.47Å; S415-S448 WeakPolarHBondContact O-CA 3.5Å; S415-S448 WeakPolarHBondContact O-CB 3.33Å
416	D	90.6	Very high	88.5	Confident	32 Å²	32	14 Å²	14	17%	0.171	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	11.2	173.1	68.2	-8.7	0	0	0	113.1	R7 R414 R418 N445 C446	R7-D416 IonicContact NH2-OD2 3.18Å; R414-D416 VanDerWaalsContact CB-OD1 3.31Å; R414-D416 WeakPolarHBondContact CB-OD1 3.22Å; R414-D416 PolarHBondContact O-N 3.33Å; D416-R418 IonicContact OD1-CZ 3.56Å; D416-R418 PolarHBondContact OD1-N 3.07Å; D416-R418 IonicContact OD1-NE 3.82Å; D416-R418 PolarHBondContact OD1-NE 3.11Å; D416-R418 IonicContact OD1-NH2 3.69Å; D416-R418 IonicContact OD2-CZ 2.79Å; D416-R418 VanDerWaalsContact OD2-CZ 3.23Å; D416-R418 IonicContact OD2-NE 2.75Å; D416-R418 PolarHBondContact OD2-NE 3.25Å; D416-R418 IonicContact OD2-NH2 3.53Å; D416-R418 PolarHBondContact OD2-NH2 3.19Å; D416-N445 PolarHBondContact O-N 3Å; D416-C446 CarbonylContact C-O 3.56Å
417	G	90.7	Very high	88.8	Confident	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	89.4	-3	174.1	0	0	0	0	0	115.4	R414 T442 C446 E447 I449	R414-G417 PolarHBondContact O-N 3.42Å; R414-G417 VanDerWaalsContact O-N 3.12Å; G417-T442 VanDerWaalsContact O-CB 3.31Å; G417-T442 WeakPolarHBondContact O-CB 3.37Å; G417-T442 PolarHBondContact O-OG1 2.88Å; G417-C446 WeakPolarHBondContact CA-O 3.38Å; G417-C446 PolarHBondContact N-O 3.09Å; G417-C446 WeakPolarHBondContact O-CB 3.4Å; G417-E447 WeakPolarHBondContact CA-O 3.44Å; G417-I449 WeakPolarHBondContact O-CD1 3.09Å
418	R	91.7	Very high	88.6	Confident	1 Å²	1	13.3 Å²	13.3	0%	0.004	9%	0.086	C	C	.	.			trans	-78.7	144	-179.6	-70.6	-175.9	-72.2	152.6	2.4	112.6	E390 K391 S413 R414 D416 L420 T442 V444 I449	E390-R418 IonicContact OE2-CZ 3.08Å; E390-R418 IonicContact OE2-NH1 2.78Å; E390-R418 PolarHBondContact OE2-NH1 3.49Å; E390-R418 VanDerWaalsContact OE2-NH1 3.15Å; E390-R418 IonicContact OE2-NH2 3.56Å; K391-R418 PolarHBondContact O-NH2 3.38Å; S413-R418 CarbonylContact C-O 3.52Å; S413-R418 WeakPolarHBondContact CA-O 3.42Å; R414-R418 PolarHBondContact N-O 3.44Å; D416-R418 IonicContact OD1-CZ 3.56Å; D416-R418 PolarHBondContact OD1-N 3.07Å; D416-R418 IonicContact OD1-NE 3.82Å; D416-R418 PolarHBondContact OD1-NE 3.11Å; D416-R418 IonicContact OD1-NH2 3.69Å; D416-R418 IonicContact OD2-CZ 2.79Å; D416-R418 VanDerWaalsContact OD2-CZ 3.23Å; D416-R418 IonicContact OD2-NE 2.75Å; D416-R418 PolarHBondContact OD2-NE 3.25Å; D416-R418 IonicContact OD2-NH2 3.53Å; D416-R418 PolarHBondContact OD2-NH2 3.19Å; R418-L420 HydrophobicContact CB-CG 4.47Å; R418-T442 VanDerWaalsContact C-OG1 3.26Å; R418-T442 WeakPolarHBondContact CA-OG1 3.34Å; R418-V444 HydrophobicContact CG-CG2 3.77Å; R418-I449 WeakPolarHBondContact O-CD1 3.33Å
419	T	94.3	Very high	87.9	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	118	165.4	-51.7	0	0	0	0	107.6	V411 V412 L441 T442 I449 L452	V411-T419 HydrophobicContact CG1-CG2 3.79Å; V412-T419 CarbonylContact O-C 3.5Å; V412-T419 WeakPolarHBondContact O-CA 3.27Å; T419-L441 HydrophobicContact CG2-CB 4.49Å; T419-L441 HydrophobicContact CG2-CD1 4Å; T419-L441 PolarHBondContact O-N 2.8Å; T419-T442 PolarHBondContact N-OG1 3.11Å; T419-T442 PolarHBondContact OG1-OG1 2.73Å; T419-T442 VanDerWaalsContact OG1-OG1 3.11Å; T419-I449 WeakPolarHBondContact OG1-CD1 3.36Å; T419-L452 HydrophobicContact CG2-CD1 3.77Å
420	L	92.1	Very high	86.8	Confident	2 Å²	2	20.2 Å²	20.2	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.4	-174.6	-63	164.2	0	0	0	109.3	V411 V412 R418 Y422 L439 E440	V411-L420 CarbonylContact C-O 3.57Å; V411-L420 WeakPolarHBondContact CA-O 3.3Å; V412-L420 PolarHBondContact N-O 3.48Å; V412-L420 PolarHBondContact O-N 3.27Å; R418-L420 HydrophobicContact CB-CG 4.47Å; L420-Y422 HydrophobicContact CB-CD2 4.39Å; L420-Y422 HydrophobicContact CB-CE2 3.61Å; L420-Y422 HydrophobicContact CD1-CE2 4.45Å; L420-Y422 WeakPolarHBondContact CD1-OH 3.25Å; L420-L439 CarbonylContact C-O 3.52Å; L420-L439 WeakPolarHBondContact CA-O 3.13Å; L420-E440 HydrophobicContact CD2-CB 3.77Å; L420-E440 HydrophobicContact CD2-CG 3.88Å
421	V	92.2	Very high	85.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.1	173.6	-174.4	0	0	0	0	108.2	L409 L410 V411 L439 L441 L479 F485	L409-V421 HydrophobicContact CD2-CG1 3.97Å; L410-V421 WeakPolarHBondContact O-CA 3.26Å; V411-V421 HydrophobicContact CG1-CG2 4.17Å; V411-V421 HydrophobicContact CG2-CG1 4.34Å; V411-V421 HydrophobicContact CG2-CG2 4.17Å; V421-L439 HydrophobicContact CB-CB 4.18Å; V421-L439 HydrophobicContact CB-CD2 4.46Å; V421-L439 HydrophobicContact CG2-CD2 4.49Å; V421-L439 PolarHBondContact N-O 2.94Å; V421-L439 PolarHBondContact O-N 2.7Å; V421-L441 HydrophobicContact CG2-CD1 3.87Å; V421-L441 HydrophobicContact CG2-CD2 4.43Å; V421-L441 HydrophobicContact CG2-CG 4.04Å; V421-L479 HydrophobicContact CG2-CD2 4.35Å; V421-F485 HydrophobicContact CG1-CE2 4.23Å; V421-F485 HydrophobicContact CG1-CZ 4.38Å
422	Y	87.6	Confident	83.3	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	138.9	177.8	-56.2	-85	0	0	0	110.4	F2 L410 V412 L420 I435	F2-Y422 AromaticContact CE2-CE1 3.84Å; F2-Y422 HydrophobicContact CE2-CE1 3.84Å; F2-Y422 HydrophobicContact CZ-CE1 4.03Å; L410-Y422 HydrophobicContact CD2-CD2 4.24Å; L410-Y422 HydrophobicContact CG-CD2 4.26Å; L410-Y422 PolarHBondContact N-O 3.4Å; L410-Y422 PolarHBondContact O-N 3.23Å; V412-Y422 HydrophobicContact CG2-CD2 4.45Å; V412-Y422 HydrophobicContact CG2-CE2 4.32Å; L420-Y422 HydrophobicContact CB-CD2 4.39Å; L420-Y422 HydrophobicContact CB-CE2 3.61Å; L420-Y422 HydrophobicContact CD1-CE2 4.45Å; L420-Y422 WeakPolarHBondContact CD1-OH 3.25Å; Y422-I435 HydrophobicContact CD1-CD1 4.25Å; Y422-I435 HydrophobicContact CD1-CG2 4.23Å; Y422-I435 HydrophobicContact CG-CD1 4.44Å
423	P	84.9	Confident	81.2	Confident	13 Å²	13	32.2 Å²	32.2	8%	0.084	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	122.2	163.5	32.9	-27.2	0	0	0	107.7	Y407 I435 F485 L488	Y407-P423 HydrophobicContact CD2-CB 3.9Å; Y407-P423 HydrophobicContact CE2-CB 4.23Å; Y407-P423 HydrophobicContact CG-CB 4.26Å; P423-I435 HydrophobicContact CG-CG2 4.18Å; P423-F485 HydrophobicContact CB-CD1 3.98Å; P423-F485 HydrophobicContact CB-CD2 4.22Å; P423-F485 HydrophobicContact CB-CE1 4.17Å; P423-F485 HydrophobicContact CB-CE2 4.37Å; P423-F485 HydrophobicContact CB-CG 4.03Å; P423-F485 HydrophobicContact CB-CZ 4.37Å; P423-F485 HydrophobicContact CG-CD1 3.55Å; P423-F485 HydrophobicContact CG-CE1 3.55Å; P423-F485 HydrophobicContact CG-CG 4.13Å; P423-F485 HydrophobicContact CG-CZ 4.09Å; P423-L488 HydrophobicContact CB-CD1 4.1Å; P423-L488 HydrophobicContact CG-CD1 3.61Å
424	Y	85.1	Confident	79.3	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.016	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	112.8	179.4	178.5	-90.8	0	0	0	109.5	F358 F364 S374 W385 Y407 L408 P426 A429	F358-Y424 HydrophobicContact CD1-CE1 4.05Å; F358-Y424 HydrophobicContact CE1-CD1 4.18Å; F358-Y424 AromaticContact CE1-CE1 3.48Å; F358-Y424 HydrophobicContact CE1-CE1 3.48Å; F358-Y424 VanDerWaalsContact CE1-CE1 3.48Å; F358-Y424 HydrophobicContact CE2-CE1 4.34Å; F358-Y424 AromaticContact CZ-CE1 3.64Å; F358-Y424 HydrophobicContact CZ-CE1 3.64Å; F358-Y424 AromaticContact CZ-CZ 3.93Å; F364-Y424 HydrophobicContact CE1-CD1 4.41Å; F364-Y424 AromaticContact CE1-CD2 3.91Å; F364-Y424 HydrophobicContact CE1-CD2 3.91Å; F364-Y424 HydrophobicContact CE1-CE1 4.37Å; F364-Y424 AromaticContact CE1-CE2 3.85Å; F364-Y424 HydrophobicContact CE1-CE2 3.85Å; F364-Y424 HydrophobicContact CE1-CG 4.17Å; F364-Y424 AromaticContact CZ-CD1 3.7Å; F364-Y424 HydrophobicContact CZ-CD1 3.7Å; F364-Y424 HydrophobicContact CZ-CD2 4.03Å; F364-Y424 AromaticContact CZ-CE1 3.67Å; F364-Y424 HydrophobicContact CZ-CE1 3.67Å; F364-Y424 AromaticContact CZ-CE2 4Å; F364-Y424 HydrophobicContact CZ-CE2 4Å; F364-Y424 AromaticContact CZ-CG 3.87Å; F364-Y424 HydrophobicContact CZ-CG 3.87Å; F364-Y424 AromaticContact CZ-CZ 3.82Å; S374-Y424 PolarHBondContact OG-OH 2.79Å; W385-Y424 HydrophobicContact CB-CE2 3.88Å; W385-Y424 HydrophobicContact CD2-CD2 4.37Å; W385-Y424 HydrophobicContact CD2-CE2 4.03Å; W385-Y424 HydrophobicContact CE3-CD2 4.38Å; W385-Y424 HydrophobicContact CE3-CE2 4.07Å; W385-Y424 AromaticContact CG-CE2 3.97Å; W385-Y424 HydrophobicContact CG-CE2 3.97Å; Y407-Y424 CarbonylContact C-O 3.51Å; Y407-Y424 WeakPolarHBondContact CA-O 3.4Å; Y407-Y424 WeakPolarHBondContact CB-O 3.42Å; L408-Y424 HydrophobicContact CB-CD1 4.38Å; L408-Y424 HydrophobicContact CD1-CD1 4.21Å; L408-Y424 PolarHBondContact N-O 3.28Å; L408-Y424 PolarHBondContact O-N 2.86Å; Y424-P426 HydrophobicContact CD1-CG 4.1Å; Y424-P426 HydrophobicContact CE1-CB 4.07Å; Y424-P426 HydrophobicContact CE1-CG 3.75Å; Y424-A429 HydrophobicContact CE2-CB 4.12Å
425	D	83.4	Confident	77.8	Confident	38 Å²	38	39 Å²	39	20%	0.203	23%	0.228	C	C	.	.			trans	-102.7	111.8	171	-175.5	-3.8	0	0	0	109.8	A427 T428 A429	D425-A427 PolarHBondContact O-N 3.37Å; D425-A427 VanDerWaalsContact O-N 3.15Å; D425-A427 VanDerWaalsContact OD1-CB 3.3Å; D425-A427 WeakPolarHBondContact OD1-CB 3.5Å; D425-A427 PolarHBondContact OD1-N 2.78Å; D425-T428 PolarHBondContact O-N 2.99Å; D425-T428 PolarHBondContact O-OG1 2.71Å; D425-A429 PolarHBondContact O-N 3.19Å
426	P	78.1	Confident	76.2	Confident	9 Å²	9	40.6 Å²	40.6	6%	0.058	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-27.1	175.6	-17.8	26.6	0	0	0	113.5	F358 L408 Y424	F358-P426 HydrophobicContact CB-CB 3.73Å; F358-P426 HydrophobicContact CB-CG 3.78Å; F358-P426 HydrophobicContact CD1-CB 4.15Å; F358-P426 HydrophobicContact CD1-CG 3.64Å; F358-P426 HydrophobicContact CD2-CB 4.3Å; F358-P426 HydrophobicContact CE1-CG 4.4Å; F358-P426 HydrophobicContact CG-CB 3.79Å; F358-P426 HydrophobicContact CG-CG 3.78Å; L408-P426 HydrophobicContact CD1-CG 4.4Å; Y424-P426 HydrophobicContact CD1-CG 4.1Å; Y424-P426 HydrophobicContact CE1-CB 4.07Å; Y424-P426 HydrophobicContact CE1-CG 3.75Å
427	A	76.7	Confident	75.3	Confident	56 Å²	56	39.7 Å²	39.7	46%	0.463	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-30.5	-178.9	0	0	0	0	0	112.7	C354 D425	C354-A427 HydrophobicContact CB-CB 4.3Å; D425-A427 PolarHBondContact O-N 3.37Å; D425-A427 VanDerWaalsContact O-N 3.15Å; D425-A427 VanDerWaalsContact OD1-CB 3.3Å; D425-A427 WeakPolarHBondContact OD1-CB 3.5Å; D425-A427 PolarHBondContact OD1-N 2.78Å
428	T	74.6	Confident	75	Confident	78 Å²	78	40.3 Å²	40.3	48%	0.479	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-7.8	177.7	66.9	0	0	0	0	113.2	D425 H430 S431	D425-T428 PolarHBondContact O-N 2.99Å; D425-T428 PolarHBondContact O-OG1 2.71Å; T428-H430 PolarHBondContact O-N 3.22Å; T428-H430 VanDerWaalsContact O-N 3.08Å; T428-S431 WeakPolarHBondContact O-CB 3.29Å; T428-S431 PolarHBondContact O-N 2.67Å; T428-S431 PolarHBondContact O-OG 3.12Å
429	A	72.6	Confident	74.9	Confident	7 Å²	7	40.2 Å²	40.2	6%	0.058	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-35.9	-178.8	0	0	0	0	0	114.1	L384 W385 Y424 D425 S431	L384-A429 CarbonylContact O-C 3.52Å; L384-A429 VanDerWaalsContact O-C 3.29Å; W385-A429 HydrophobicContact CB-CB 3.94Å; Y424-A429 HydrophobicContact CE2-CB 4.12Å; D425-A429 PolarHBondContact O-N 3.19Å; A429-S431 PolarHBondContact O-N 3.29Å
430	H	65	Low	74.8	Confident	137 Å²	137	40.3 Å²	40.3	63%	0.634	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.4	179	-65.7	-69.3	0	0	0	115	L384 T428	L384-H430 WeakPolarHBondContact CD2-CE1 3.2Å; T428-H430 PolarHBondContact O-N 3.22Å; T428-H430 VanDerWaalsContact O-N 3.08Å
431	S	58.6	Low	74.8	Confident	55 Å²	55	40.6 Å²	40.6	39%	0.385	24%	0.238	S	C	.	.	S	Bend	trans	-80.3	145.7	177.5	66.6	0	0	0	0	109.5	T428 A429 A433	T428-S431 WeakPolarHBondContact O-CB 3.29Å; T428-S431 PolarHBondContact O-N 2.67Å; T428-S431 PolarHBondContact O-OG 3.12Å; A429-S431 PolarHBondContact O-N 3.29Å; S431-A433 PolarHBondContact O-N 3.33Å; S431-A433 WeakPolarHBondContact OG-CB 3.34Å; S431-A433 PolarHBondContact OG-N 2.76Å
432	D	54.6	Low	74.6	Confident	141 Å²	141	40.9 Å²	40.9	75%	0.754	24%	0.24	S	C	*	.			trans	-64.6	15.9	166.2	-79.4	-33.1	0	0	0	112.4	M1 Q434	M1-D432 HydrophobicContact CE-CB 3.72Å; M1-D432 WeakPolarHBondContact CE-O 3.35Å; D432-Q434 PolarHBondContact O-N 2.95Å
433	A	49.6	Very low	74.2	Confident	56 Å²	56	41 Å²	41	46%	0.463	24%	0.242	S	C	.	.			trans	-61.6	111.2	175	0	0	0	0	0	108.5	S431	S431-A433 PolarHBondContact O-N 3.33Å; S431-A433 WeakPolarHBondContact OG-CB 3.34Å; S431-A433 PolarHBondContact OG-N 2.76Å
434	Q	55.8	Low	73.7	Confident	126 Å²	126	41.3 Å²	41.3	59%	0.589	24%	0.243	S	C	*	.			trans	-54.3	144.9	166.1	-67.4	176.6	1.1	0	0	108.5	M1 D432 P436	M1-Q434 HydrophobicContact CG-CG 3.92Å; D432-Q434 PolarHBondContact O-N 2.95Å; Q434-P436 WeakPolarHBondContact O-CD 3.35Å
435	I	61.6	Low	73.1	Confident	17 Å²	17	47.9 Å²	47.9	9%	0.087	28%	0.278	C	S	.	.			trans	-77.9	101.2	167.1	-57.3	-179.6	0	0	0	105.6	F2 W385 Y422 P423 I437	F2-I435 VanDerWaalsContact CE1-O 3.24Å; F2-I435 WeakPolarHBondContact CE1-O 3.23Å; F2-I435 HydrophobicContact CZ-CB 4.16Å; F2-I435 WeakPolarHBondContact CZ-O 3.39Å; W385-I435 HydrophobicContact CH2-CD1 4.21Å; W385-I435 HydrophobicContact CZ2-CD1 3.42Å; W385-I435 VanDerWaalsContact CZ2-CD1 3.42Å; W385-I435 HydrophobicContact CZ2-CG1 4.22Å; Y422-I435 HydrophobicContact CD1-CD1 4.25Å; Y422-I435 HydrophobicContact CD1-CG2 4.23Å; Y422-I435 HydrophobicContact CG-CD1 4.44Å; P423-I435 HydrophobicContact CG-CG2 4.18Å; I435-I437 VanDerWaalsContact CG2-O 3.22Å; I435-I437 WeakPolarHBondContact CG2-O 3.15Å; I435-I437 PolarHBondContact O-N 2.87Å
436	P	59.4	Low	72.5	Confident	79 Å²	79	47.6 Å²	47.6	51%	0.513	28%	0.279	S	S	.	.			trans	-71.2	-19.8	-170.8	30.8	-33.6	0	0	0	111.9	N72 Q434 L488	N72-P436 VanDerWaalsContact O-O 3.12Å; Q434-P436 WeakPolarHBondContact O-CD 3.35Å; P436-L488 HydrophobicContact CG-CD2 4.04Å
437	I	73.4	Confident	72.8	Confident	13 Å²	13	51.6 Å²	51.6	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	125.8	-169	-63.7	165	0	0	0	109	N72 F74 I435 T484 F485 L488	N72-I437 HydrophobicContact CB-CG1 4.36Å; F74-I437 HydrophobicContact CD2-CG2 3.97Å; F74-I437 HydrophobicContact CE2-CG2 3.85Å; I435-I437 VanDerWaalsContact CG2-O 3.22Å; I435-I437 WeakPolarHBondContact CG2-O 3.15Å; I435-I437 PolarHBondContact O-N 2.87Å; I437-T484 HydrophobicContact CG2-CG2 3.99Å; I437-F485 HydrophobicContact CG2-CD1 3.96Å; I437-F485 HydrophobicContact CG2-CE1 3.89Å; I437-L488 HydrophobicContact CD1-CD2 3.76Å; I437-L488 HydrophobicContact CD1-CG 3.79Å
438	S	84.2	Confident	73.5	Confident	12 Å²	12	50 Å²	50	8%	0.084	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	151.4	170.8	58.9	0	0	0	0	110	F74	F74-S438 PolarHBondContact N-O 2.94Å; F74-S438 VanDerWaalsContact N-O 3.1Å
439	L	89.5	Confident	74.4	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	121.8	172.5	172.8	66.7	0	0	0	108.8	L61 F74 Q76 L420 V421 L441 L479 F485	L61-L439 HydrophobicContact CD1-CD1 3.86Å; F74-L439 HydrophobicContact CB-CD1 3.7Å; Q76-L439 HydrophobicContact CB-CD1 3.82Å; L420-L439 CarbonylContact C-O 3.52Å; L420-L439 WeakPolarHBondContact CA-O 3.13Å; V421-L439 HydrophobicContact CB-CB 4.18Å; V421-L439 HydrophobicContact CB-CD2 4.46Å; V421-L439 HydrophobicContact CG2-CD2 4.49Å; V421-L439 PolarHBondContact N-O 2.94Å; V421-L439 PolarHBondContact O-N 2.7Å; L439-L441 HydrophobicContact CD2-CD2 3.83Å; L439-L441 HydrophobicContact CG-CD2 3.9Å; L439-L479 HydrophobicContact CD2-CD2 4.48Å; L439-F485 HydrophobicContact CB-CZ 4.36Å
440	E	92.4	Very high	75.4	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	120.8	173.3	-174.8	166.4	134.9	0	0	109.4	K73 F74 F75 Q76 L420 T442 G443	K73-E440 WeakPolarHBondContact CE-OE2 3.17Å; K73-E440 IonicContact NZ-OE2 2.69Å; K73-E440 PolarHBondContact NZ-OE2 3.34Å; F74-E440 PolarHBondContact O-N 3.47Å; F75-E440 WeakPolarHBondContact CA-O 3.45Å; F75-E440 HydrophobicContact CD1-CB 3.74Å; F75-E440 HydrophobicContact CD1-CG 4.16Å; F75-E440 HydrophobicContact CE1-CB 3.95Å; F75-E440 HydrophobicContact CE1-CG 4.28Å; Q76-E440 PolarHBondContact N-O 3.31Å; L420-E440 HydrophobicContact CD2-CB 3.77Å; L420-E440 HydrophobicContact CD2-CG 3.88Å; E440-T442 WeakPolarHBondContact CG-O 3.39Å; E440-G443 WeakPolarHBondContact OE1-CA 3.48Å
441	L	91.9	Very high	76.7	Confident	8 Å²	8	40.2 Å²	40.2	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-49	179.3	-57.8	-176.5	0	0	0	110.5	Q76 T419 V421 L439 V464 Y476 L479	Q76-L441 HydrophobicContact CB-CD2 3.95Å; Q76-L441 HydrophobicContact CG-CD2 4.36Å; T419-L441 HydrophobicContact CG2-CB 4.49Å; T419-L441 HydrophobicContact CG2-CD1 4Å; T419-L441 PolarHBondContact O-N 2.8Å; V421-L441 HydrophobicContact CG2-CD1 3.87Å; V421-L441 HydrophobicContact CG2-CD2 4.43Å; V421-L441 HydrophobicContact CG2-CG 4.04Å; L439-L441 HydrophobicContact CD2-CD2 3.83Å; L439-L441 HydrophobicContact CG-CD2 3.9Å; L441-V464 HydrophobicContact CD1-CB 4.01Å; L441-V464 HydrophobicContact CD1-CG1 3.77Å; L441-V464 HydrophobicContact CD1-CG2 4.38Å; L441-Y476 VanDerWaalsContact C-OH 3.25Å; L441-Y476 HydrophobicContact CB-CD1 4.32Å; L441-Y476 HydrophobicContact CB-CD2 4.49Å; L441-Y476 HydrophobicContact CB-CE1 3.74Å; L441-Y476 HydrophobicContact CB-CE2 3.97Å; L441-Y476 HydrophobicContact CD1-CD2 4.15Å; L441-Y476 HydrophobicContact CD1-CE2 4.37Å; L441-Y476 HydrophobicContact CD1-CG 4.29Å; L441-Y476 HydrophobicContact CD2-CD1 4.03Å; L441-Y476 HydrophobicContact CD2-CE1 4.15Å; L441-Y476 HydrophobicContact CG-CE1 4.4Å; L441-Y476 PolarHBondContact O-OH 3.1Å; L441-L479 HydrophobicContact CD1-CD2 3.81Å; L441-L479 HydrophobicContact CD2-CD2 3.8Å; L441-L479 HydrophobicContact CG-CD2 4.43Å
442	T	87.2	Confident	78.5	Confident	6 Å²	6	37.6 Å²	37.6	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.6	177.7	57	0	0	0	0	110.8	G417 R418 T419 E440 Y476	G417-T442 VanDerWaalsContact O-CB 3.31Å; G417-T442 WeakPolarHBondContact O-CB 3.37Å; G417-T442 PolarHBondContact O-OG1 2.88Å; R418-T442 VanDerWaalsContact C-OG1 3.26Å; R418-T442 WeakPolarHBondContact CA-OG1 3.34Å; T419-T442 PolarHBondContact N-OG1 3.11Å; T419-T442 PolarHBondContact OG1-OG1 2.73Å; T419-T442 VanDerWaalsContact OG1-OG1 3.11Å; E440-T442 WeakPolarHBondContact CG-O 3.39Å; T442-Y476 HydrophobicContact CG2-CE2 4.48Å; T442-Y476 VanDerWaalsContact CG2-OH 3.31Å; T442-Y476 WeakPolarHBondContact CG2-OH 3.34Å
443	G	78.9	Confident	80.4	Confident	5 Å²	5	31.1 Å²	31.1	5%	0.052	18%	0.179	C	C	.	.			trans	-83.4	164.1	-177.9	0	0	0	0	0	114.6	E440 C446	E440-G443 WeakPolarHBondContact OE1-CA 3.48Å; G443-C446 PolarHBondContact O-N 2.75Å
444	V	74.8	Confident	82.5	Confident	18 Å²	18	29.3 Å²	29.3	11%	0.109	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	133.4	169	-177.6	0	0	0	0	109.2	R7 P10 R418	R7-V444 HydrophobicContact CB-CG2 4.43Å; R7-V444 HydrophobicContact CG-CG2 3.74Å; P10-V444 WeakPolarHBondContact CG-O 3.35Å; R418-V444 HydrophobicContact CG-CG2 3.77Å
445	N	72	Confident	84.1	Confident	142 Å²	142	24 Å²	24	76%	0.759	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.1	-0.3	-172.5	-49.7	-34.3	0	0	0	114.8	P10 D416	P10-N445 HydrophobicContact CG-CB 4.47Å; D416-N445 PolarHBondContact O-N 3Å
446	C	70.6	Confident	85.4	Confident	33 Å²	33	24.7 Å²	24.7	22%	0.223	14%	0.139	C	C	.	.	S	Bend	trans	-63.8	144.1	153.6	-69.1	0	0	0	0	108.3	D416 G417 G443 T468	D416-C446 CarbonylContact C-O 3.56Å; G417-C446 WeakPolarHBondContact CA-O 3.38Å; G417-C446 PolarHBondContact N-O 3.09Å; G417-C446 WeakPolarHBondContact O-CB 3.4Å; G443-C446 PolarHBondContact O-N 2.75Å; C446-T468 HydrophobicContact CB-CG2 4.45Å
447	E	85.7	Confident	86.4	Confident	92 Å²	92	24.5 Å²	24.5	43%	0.43	13%	0.131	S	C	.	.	P	Polyproline II helix	trans	-63.2	161.5	172.2	-78.4	179	-136.8	0	0	111	G417 I449 T468 S470	G417-E447 WeakPolarHBondContact CA-O 3.44Å; E447-I449 PolarHBondContact O-N 3.15Å; E447-T468 HydrophobicContact CB-CG2 4.45Å; E447-S470 WeakPolarHBondContact OE1-CB 3.37Å; E447-S470 PolarHBondContact OE1-OG 3.46Å; E447-S470 WeakPolarHBondContact OE2-CA 3.49Å; E447-S470 WeakPolarHBondContact OE2-CB 2.97Å; E447-S470 PolarHBondContact OE2-N 3.41Å; E447-S470 PolarHBondContact OE2-OG 2.9Å
448	S	91.9	Very high	86.4	Confident	24 Å²	24	28.2 Å²	28.2	17%	0.168	16%	0.158	C	C	.	.	P	Polyproline II helix	trans	-48.5	128.9	179.4	-175.4	0	0	0	0	111.3	S415 T468 R469	S415-S448 WeakPolarHBondContact CA-OG 3.47Å; S415-S448 WeakPolarHBondContact O-CA 3.5Å; S415-S448 WeakPolarHBondContact O-CB 3.33Å; S448-T468 WeakPolarHBondContact O-CA 3.46Å; S448-R469 PolarHBondContact O-N 2.78Å
449	I	93.7	Very high	85.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126.6	179.9	-61.9	-176.9	0	0	0	108.7	Q395 G417 R418 T419 E447 G451 A467	Q395-I449 WeakPolarHBondContact CB-O 3.4Å; Q395-I449 WeakPolarHBondContact CG-O 3.45Å; G417-I449 WeakPolarHBondContact O-CD1 3.09Å; R418-I449 WeakPolarHBondContact O-CD1 3.33Å; T419-I449 WeakPolarHBondContact OG1-CD1 3.36Å; E447-I449 PolarHBondContact O-N 3.15Å; I449-G451 WeakPolarHBondContact CG2-O 3.48Å; I449-A467 CarbonylContact C-O 3.54Å; I449-A467 WeakPolarHBondContact CA-O 3.45Å; I449-A467 WeakPolarHBondContact CG2-O 3.15Å
450	C	92.7	Very high	85.3	Confident	15 Å²	15	32.6 Å²	32.6	10%	0.101	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-4	177.9	60.6	0	0	0	0	113.3	V96 A467 T468 R469	V96-C450 VanDerWaalsContact CG1-SG 3.51Å; C450-A467 PolarHBondContact N-O 2.53Å; C450-T468 VanDerWaalsContact SG-C 3.55Å; C450-R469 HydrophobicContact CB-CG 3.9Å
451	G	92.6	Very high	84.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	139.3	173.9	0	0	0	0	0	112.5	I449 S466 A467	I449-G451 WeakPolarHBondContact CG2-O 3.48Å; G451-S466 WeakPolarHBondContact O-CA 3.12Å; G451-A467 PolarHBondContact N-O 3.07Å; G451-A467 PolarHBondContact O-N 3.17Å
452	L	96	Very high	84.7	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	116	176.9	179	71.6	0	0	0	108.8	Q396 R398 V411 T419 V464 W465	Q396-L452 HydrophobicContact CB-CB 3.95Å; Q396-L452 HydrophobicContact CB-CD2 4.28Å; Q396-L452 HydrophobicContact CG-CB 3.92Å; Q396-L452 HydrophobicContact CG-CD2 4.44Å; Q396-L452 PolarHBondContact NE2-O 3.29Å; R398-L452 HydrophobicContact CB-CD2 4.41Å; R398-L452 HydrophobicContact CG-CD2 4.14Å; R398-L452 HydrophobicContact CG-CG 4.26Å; V411-L452 HydrophobicContact CB-CD2 4.37Å; V411-L452 HydrophobicContact CG1-CD1 3.89Å; V411-L452 HydrophobicContact CG1-CD2 3.95Å; V411-L452 HydrophobicContact CG1-CG 4.39Å; T419-L452 HydrophobicContact CG2-CD1 3.77Å; L452-V464 HydrophobicContact CD1-CG1 3.84Å; L452-W465 WeakPolarHBondContact CA-O 3.18Å
453	S	95	Very high	84.9	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.028	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	148.4	178	-58.8	0	0	0	0	110.5	D100 V101 W465	D100-S453 PolarHBondContact OD1-OG 3.39Å; V101-S453 PolarHBondContact N-OG 2.97Å; S453-W465 PolarHBondContact N-O 2.86Å; S453-W465 PolarHBondContact O-N 2.8Å
454	M	93	Very high	85.6	Confident	19 Å²	19	34.4 Å²	34.4	9%	0.094	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.5	175.6	-61	-175	66.9	0	0	108.5	R398 C400 V411 Y456 I462 G463 V464	R398-M454 HydrophobicContact CB-CG 3.95Å; R398-M454 HydrophobicContact CB-SD 3.49Å; R398-M454 WeakPolarHBondContact CB-SD 3.38Å; R398-M454 HydrophobicContact CG-CG 4.26Å; R398-M454 HydrophobicContact CG-SD 4.41Å; C400-M454 HydrophobicContact CB-CE 4.21Å; C400-M454 HydrophobicContact CB-SD 4.47Å; C400-M454 WeakPolarHBondContact SG-CE 3.45Å; V411-M454 HydrophobicContact CB-SD 4.44Å; V411-M454 HydrophobicContact CG2-CE 3.96Å; V411-M454 HydrophobicContact CG2-SD 3.82Å; M454-Y456 HydrophobicContact CB-CE1 4.41Å; M454-Y456 HydrophobicContact CB-CE2 4.44Å; M454-Y456 HydrophobicContact CE-CE1 4.45Å; M454-I462 HydrophobicContact CE-CG2 3.37Å; M454-G463 WeakPolarHBondContact CA-O 3.35Å; M454-V464 HydrophobicContact CG-CG2 4.39Å
455	V	90.6	Very high	86.6	Confident	13 Å²	13	33.7 Å²	33.7	8%	0.079	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.3	179.3	177.1	0	0	0	0	108.3	V101 G463	V101-V455 HydrophobicContact CB-CG2 4.27Å; V101-V455 HydrophobicContact CG1-CG2 3.7Å; V455-G463 PolarHBondContact N-O 2.86Å; V455-G463 PolarHBondContact O-N 3.06Å
456	Y	86.9	Confident	87.8	Confident	33 Å²	33	27 Å²	27	13%	0.129	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.4	-175.9	-51.8	-78.3	0	0	0	110	I337 P338 C400 M454 I462	I337-Y456 HydrophobicContact CB-CD1 4.28Å; I337-Y456 HydrophobicContact CD1-CD1 4.24Å; I337-Y456 HydrophobicContact CG1-CD1 3.7Å; I337-Y456 HydrophobicContact CG1-CE1 3.78Å; I337-Y456 HydrophobicContact CG1-CG 4.45Å; I337-Y456 HydrophobicContact CG2-CD1 3.9Å; I337-Y456 HydrophobicContact CG2-CG 3.87Å; P338-Y456 HydrophobicContact CG-CD2 4.44Å; C400-Y456 HydrophobicContact CB-CE1 3.94Å; C400-Y456 VanDerWaalsContact CB-OH 3.3Å; C400-Y456 WeakPolarHBondContact CB-OH 3.38Å; M454-Y456 HydrophobicContact CB-CE1 4.41Å; M454-Y456 HydrophobicContact CB-CE2 4.44Å; M454-Y456 HydrophobicContact CE-CE1 4.45Å; Y456-I462 HydrophobicContact CD1-CG1 4.18Å; Y456-I462 HydrophobicContact CE1-CG1 4.5Å; Y456-I462 HydrophobicContact CE1-CG2 4.41Å
457	K	80.8	Confident	88.9	Confident	75 Å²	75	25.4 Å²	25.4	33%	0.326	15%	0.149	S	C	.	.			trans	-94	152.6	176.3	-62.2	-172.8	-171.7	172.2	0	111	S459 G460 E461 I477	K457-S459 WeakPolarHBondContact CB-OG 3.37Å; K457-S459 PolarHBondContact O-N 2.66Å; K457-S459 VanDerWaalsContact O-N 3.15Å; K457-G460 PolarHBondContact O-N 2.77Å; K457-E461 HydrophobicContact CB-CB 4.33Å; K457-E461 HydrophobicContact CD-CB 4.21Å; K457-E461 PolarHBondContact N-O 3.03Å; K457-E461 IonicContact NZ-OE2 2.87Å; K457-E461 PolarHBondContact NZ-OE2 3.13Å; K457-I477 WeakPolarHBondContact CE-O 3.39Å; K457-I477 PolarHBondContact NZ-O 2.96Å
458	S	73.1	Confident	89.3	Confident	91 Å²	91	21.2 Å²	21.2	64%	0.636	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.6	172.2	53.3	0	0	0	0	113.5	G460	S458-G460 PolarHBondContact O-N 2.69Å
459	S	75.1	Confident	89.3	Confident	77 Å²	77	24.9 Å²	24.9	54%	0.538	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-7.3	171.1	55.1	0	0	0	0	113.9	K457 E461	K457-S459 WeakPolarHBondContact CB-OG 3.37Å; K457-S459 PolarHBondContact O-N 2.66Å; K457-S459 VanDerWaalsContact O-N 3.15Å; S459-E461 VanDerWaalsContact C-N 3.26Å; S459-E461 WeakPolarHBondContact OG-CG 3.28Å; S459-E461 PolarHBondContact OG-OE2 3.03Å
460	G	75.5	Confident	89.2	Confident	26 Å²	26	26.3 Å²	26.3	27%	0.268	15%	0.15	S	C	.	.	S	Bend	trans	82.7	0.5	-171.8	0	0	0	0	0	113.7	K457 S458	K457-G460 PolarHBondContact O-N 2.77Å; S458-G460 PolarHBondContact O-N 2.69Å
461	E	83.4	Confident	89.1	Confident	49 Å²	49	25.6 Å²	25.6	23%	0.229	15%	0.145	C	C	.	.			trans	-75.1	143.8	175.5	-64.6	176.7	152.7	0	0	111.3	K457 S459 K478	K457-E461 HydrophobicContact CB-CB 4.33Å; K457-E461 HydrophobicContact CD-CB 4.21Å; K457-E461 PolarHBondContact N-O 3.03Å; K457-E461 IonicContact NZ-OE2 2.87Å; K457-E461 PolarHBondContact NZ-OE2 3.13Å; S459-E461 VanDerWaalsContact C-N 3.26Å; S459-E461 WeakPolarHBondContact OG-CG 3.28Å; S459-E461 PolarHBondContact OG-OE2 3.03Å; E461-K478 HydrophobicContact CB-CG 4.46Å; E461-K478 HydrophobicContact CG-CD 4.22Å; E461-K478 HydrophobicContact CG-CG 4.32Å; E461-K478 VanDerWaalsContact OE1-CD 3.28Å; E461-K478 WeakPolarHBondContact OE1-CD 3.2Å; E461-K478 VanDerWaalsContact OE1-CE 3.31Å; E461-K478 WeakPolarHBondContact OE1-CE 2.96Å; E461-K478 IonicContact OE1-NZ 2.78Å; E461-K478 PolarHBondContact OE1-NZ 3.07Å
462	I	88.4	Confident	89	Confident	7 Å²	7	28.3 Å²	28.3	4%	0.036	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.2	179.5	-58.7	171.8	0	0	0	107.8	I337 R402 L409 M454 Y456 K478 L479	I337-I462 HydrophobicContact CD1-CD1 4.35Å; R402-I462 HydrophobicContact CB-CD1 4.19Å; R402-I462 HydrophobicContact CG-CD1 4.16Å; L409-I462 HydrophobicContact CD1-CD1 3.66Å; M454-I462 HydrophobicContact CE-CG2 3.37Å; Y456-I462 HydrophobicContact CD1-CG1 4.18Å; Y456-I462 HydrophobicContact CE1-CG1 4.5Å; Y456-I462 HydrophobicContact CE1-CG2 4.41Å; I462-K478 WeakPolarHBondContact O-CA 3.45Å; I462-L479 HydrophobicContact CB-CD1 4.5Å; I462-L479 HydrophobicContact CG2-CD1 4.08Å; I462-L479 PolarHBondContact O-N 3.06Å
463	G	91.5	Very high	88.9	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	152.2	168	0	0	0	0	0	111.5	M454 V455 Y476	M454-G463 WeakPolarHBondContact CA-O 3.35Å; V455-G463 PolarHBondContact N-O 2.86Å; V455-G463 PolarHBondContact O-N 3.06Å; G463-Y476 CarbonylContact C-O 3.56Å; G463-Y476 WeakPolarHBondContact CA-O 3.19Å
464	V	94.6	Very high	88.9	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.6	174.9	174.6	0	0	0	0	108.9	V411 L441 L452 M454 Y476 L479	V411-V464 HydrophobicContact CG1-CG1 4.32Å; L441-V464 HydrophobicContact CD1-CB 4.01Å; L441-V464 HydrophobicContact CD1-CG1 3.77Å; L441-V464 HydrophobicContact CD1-CG2 4.38Å; L452-V464 HydrophobicContact CD1-CG1 3.84Å; M454-V464 HydrophobicContact CG-CG2 4.39Å; V464-Y476 HydrophobicContact CB-CD2 4.41Å; V464-Y476 PolarHBondContact N-O 3.01Å; V464-Y476 WeakPolarHBondContact O-CA 3.24Å; V464-Y476 WeakPolarHBondContact O-CB 3.38Å; V464-Y476 WeakPolarHBondContact O-CD2 3.38Å; V464-Y476 PolarHBondContact O-N 3.48Å; V464-L479 HydrophobicContact CB-CD2 4.23Å; V464-L479 HydrophobicContact CG2-CD1 3.67Å; V464-L479 HydrophobicContact CG2-CD2 3.75Å; V464-L479 HydrophobicContact CG2-CG 3.83Å
465	W	96.4	Very high	89	Confident	4 Å²	4	29.3 Å²	29.3	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	136.1	173.8	-71.9	79.8	0	0	0	109.4	F82 F99 V101 F108 A122 L452 S453 V473 N474 Q475	F82-W465 HydrophobicContact CE1-CH2 4.38Å; F82-W465 HydrophobicContact CE1-CZ3 4.03Å; F82-W465 HydrophobicContact CZ-CH2 4.21Å; F82-W465 AromaticContact CZ-CZ3 3.67Å; F82-W465 HydrophobicContact CZ-CZ3 3.67Å; F99-W465 HydrophobicContact CE1-CB 4.06Å; F99-W465 HydrophobicContact CZ-CB 4.31Å; F99-W465 HydrophobicContact CZ-CE3 4.2Å; V101-W465 HydrophobicContact CG2-CB 3.76Å; V101-W465 HydrophobicContact CG2-CD2 4.05Å; V101-W465 HydrophobicContact CG2-CG 3.73Å; F108-W465 HydrophobicContact CD1-CZ3 4.48Å; A122-W465 HydrophobicContact CB-CH2 3.78Å; A122-W465 HydrophobicContact CB-CZ2 3.94Å; L452-W465 WeakPolarHBondContact CA-O 3.18Å; S453-W465 PolarHBondContact N-O 2.86Å; S453-W465 PolarHBondContact O-N 2.8Å; W465-V473 HydrophobicContact CE3-CG1 3.58Å; W465-V473 HydrophobicContact CZ3-CG1 3.72Å; W465-N474 WeakPolarHBondContact CA-O 3.29Å; W465-Q475 HydrophobicContact CD2-CB 4.09Å; W465-Q475 HydrophobicContact CD2-CG 4.01Å; W465-Q475 HydrophobicContact CE3-CB 3.85Å; W465-Q475 HydrophobicContact CE3-CG 4.21Å; W465-Q475 HydrophobicContact CH2-CB 3.82Å; W465-Q475 VanDerWaalsContact CH2-CD 3.48Å; W465-Q475 HydrophobicContact CH2-CG 3.67Å; W465-Q475 HydrophobicContact CZ2-CB 4.1Å; W465-Q475 HydrophobicContact CZ2-CG 3.48Å; W465-Q475 VanDerWaalsContact CZ2-CG 3.48Å; W465-Q475 HydrophobicContact CZ3-CB 3.68Å; W465-Q475 HydrophobicContact CZ3-CG 4.02Å
466	S	95.6	Very high	89.1	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.1	171.3	64.7	0	0	0	0	111.3	G451 V473 N474	G451-S466 WeakPolarHBondContact O-CA 3.12Å; S466-V473 CarbonylContact O-C 3.32Å; S466-V473 WeakPolarHBondContact O-CA 3.31Å; S466-N474 PolarHBondContact N-O 3.02Å; S466-N474 PolarHBondContact O-N 3.05Å
467	A	95.1	Very high	89.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.6	177.5	0	0	0	0	0	110.9	F99 I449 C450 G451 M472 V473	F99-A467 HydrophobicContact CB-CB 3.75Å; F99-A467 HydrophobicContact CD1-CB 3.79Å; F99-A467 HydrophobicContact CD2-CB 3.66Å; F99-A467 HydrophobicContact CE1-CB 4.26Å; F99-A467 HydrophobicContact CE2-CB 4.13Å; F99-A467 HydrophobicContact CG-CB 3.46Å; F99-A467 VanDerWaalsContact CG-CB 3.46Å; F99-A467 HydrophobicContact CZ-CB 4.42Å; I449-A467 CarbonylContact C-O 3.54Å; I449-A467 WeakPolarHBondContact CA-O 3.45Å; I449-A467 WeakPolarHBondContact CG2-O 3.15Å; C450-A467 PolarHBondContact N-O 2.53Å; G451-A467 PolarHBondContact N-O 3.07Å; G451-A467 PolarHBondContact O-N 3.17Å; A467-M472 CarbonylContact C-O 3.6Å; A467-M472 WeakPolarHBondContact CA-O 3.36Å; A467-V473 HydrophobicContact CB-CG2 4.18Å
468	T	94.1	Very high	89.7	Confident	4 Å²	4	30.3 Å²	30.3	3%	0.025	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	160.2	175.4	70.9	0	0	0	0	111.9	C446 E447 S448 C450 S470 G471 M472	C446-T468 HydrophobicContact CB-CG2 4.45Å; E447-T468 HydrophobicContact CB-CG2 4.45Å; S448-T468 WeakPolarHBondContact O-CA 3.46Å; C450-T468 VanDerWaalsContact SG-C 3.55Å; T468-S470 PolarHBondContact O-N 2.83Å; T468-S470 PolarHBondContact OG1-OG 2.87Å; T468-G471 PolarHBondContact O-N 2.9Å; T468-M472 HydrophobicContact CG2-CB 4.13Å; T468-M472 PolarHBondContact N-O 3.23Å; T468-M472 WeakPolarHBondContact OG1-CB 3.08Å; T468-M472 PolarHBondContact OG1-N 2.82Å
469	R	92.3	Very high	90.4	Very high	100 Å²	100	26.1 Å²	26.1	38%	0.377	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.6	174.1	-74.7	-171.9	-178.4	-86.8	-0.1	114.4	H95 V96 S448 C450 G471	H95-R469 CarbonylContact C-O 3.57Å; H95-R469 VanDerWaalsContact CA-O 3.23Å; H95-R469 WeakPolarHBondContact CA-O 3.45Å; H95-R469 WeakPolarHBondContact CB-O 3.4Å; H95-R469 PolarHBondContact ND1-O 3.37Å; V96-R469 PolarHBondContact N-O 3.3Å; S448-R469 PolarHBondContact O-N 2.78Å; C450-R469 HydrophobicContact CB-CG 3.9Å; R469-G471 VanDerWaalsContact C-N 3.27Å
470	S	89.7	Confident	90.5	Very high	32 Å²	32	24.2 Å²	24.2	22%	0.224	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.6	170	42.2	0	0	0	0	114.7	S85 E447 T468	S85-S470 WeakPolarHBondContact CB-O 3.39Å; S85-S470 PolarHBondContact OG-O 2.8Å; E447-S470 WeakPolarHBondContact OE1-CB 3.37Å; E447-S470 PolarHBondContact OE1-OG 3.46Å; E447-S470 WeakPolarHBondContact OE2-CA 3.49Å; E447-S470 WeakPolarHBondContact OE2-CB 2.97Å; E447-S470 PolarHBondContact OE2-N 3.41Å; E447-S470 PolarHBondContact OE2-OG 2.9Å; T468-S470 PolarHBondContact O-N 2.83Å; T468-S470 PolarHBondContact OG1-OG 2.87Å
471	G	90.8	Very high	90.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.			trans	90.1	19	-177.9	0	0	0	0	0	114.7	D83 I84 T468 R469 V473	D83-G471 WeakPolarHBondContact CA-O 3.16Å; I84-G471 WeakPolarHBondContact CG1-O 2.89Å; I84-G471 PolarHBondContact N-O 2.95Å; T468-G471 PolarHBondContact O-N 2.9Å; R469-G471 VanDerWaalsContact C-N 3.27Å; G471-V473 PolarHBondContact O-N 2.84Å
472	M	91.5	Very high	88.8	Confident	56 Å²	56	23.6 Å²	23.6	28%	0.276	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.4	165.6	-174.5	90.7	-42.6	0	0	109.9	F82 D83 A467 T468	F82-M472 WeakPolarHBondContact O-CE 3.33Å; D83-M472 VanDerWaalsContact CA-CE 3.4Å; D83-M472 HydrophobicContact CB-CE 3.46Å; D83-M472 VanDerWaalsContact CB-CE 3.46Å; A467-M472 CarbonylContact C-O 3.6Å; A467-M472 WeakPolarHBondContact CA-O 3.36Å; T468-M472 HydrophobicContact CG2-CB 4.13Å; T468-M472 PolarHBondContact N-O 3.23Å; T468-M472 WeakPolarHBondContact OG1-CB 3.08Å; T468-M472 PolarHBondContact OG1-N 2.82Å
473	V	93.8	Very high	87.3	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131	173.9	-178.4	0	0	0	0	109	S81 F82 I84 F99 W465 S466 A467 G471	S81-V473 WeakPolarHBondContact CA-O 3.35Å; F82-V473 HydrophobicContact CD2-CB 3.97Å; F82-V473 HydrophobicContact CD2-CG2 4.45Å; F82-V473 HydrophobicContact CE2-CB 3.57Å; F82-V473 HydrophobicContact CE2-CG1 3.78Å; F82-V473 HydrophobicContact CE2-CG2 4Å; F82-V473 HydrophobicContact CZ-CB 4.1Å; F82-V473 HydrophobicContact CZ-CG1 3.83Å; F82-V473 PolarHBondContact N-O 2.88Å; F82-V473 VanDerWaalsContact N-O 3.08Å; F82-V473 PolarHBondContact O-N 3.37Å; I84-V473 HydrophobicContact CD1-CG2 4.04Å; I84-V473 HydrophobicContact CG1-CG2 4.25Å; I84-V473 HydrophobicContact CG2-CG2 4.03Å; F99-V473 HydrophobicContact CD2-CG2 4.36Å; F99-V473 HydrophobicContact CE2-CG1 3.87Å; F99-V473 HydrophobicContact CE2-CG2 3.87Å; F99-V473 HydrophobicContact CZ-CG1 3.86Å; W465-V473 HydrophobicContact CE3-CG1 3.58Å; W465-V473 HydrophobicContact CZ3-CG1 3.72Å; S466-V473 CarbonylContact O-C 3.32Å; S466-V473 WeakPolarHBondContact O-CA 3.31Å; A467-V473 HydrophobicContact CB-CG2 4.18Å; G471-V473 PolarHBondContact O-N 2.84Å
474	N	94.2	Very high	85.7	Confident	12 Å²	12	27.2 Å²	27.2	6%	0.064	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.7	175.2	-64.8	-55.4	0	0	0	109.9	P78 S81 W465 S466 Y476	P78-N474 HydrophobicContact CB-CB 4.13Å; S81-N474 WeakPolarHBondContact CB-OD1 3.31Å; S81-N474 PolarHBondContact OG-OD1 3.43Å; W465-N474 WeakPolarHBondContact CA-O 3.29Å; S466-N474 PolarHBondContact N-O 3.02Å; S466-N474 PolarHBondContact O-N 3.05Å; N474-Y476 HydrophobicContact CB-CE2 3.77Å
475	Q	94.8	Very high	84.2	Confident	32 Å²	32	27.4 Å²	27.4	15%	0.15	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.7	177.6	-178.2	-174.8	36	0	0	110.1	D79 S80 W465 I477	D79-Q475 PolarHBondContact N-O 3.09Å; S80-Q475 PolarHBondContact N-O 2.96Å; S80-Q475 PolarHBondContact O-N 2.7Å; S80-Q475 WeakPolarHBondContact OG-CB 3.4Å; S80-Q475 PolarHBondContact OG-OE1 3.29Å; W465-Q475 HydrophobicContact CD2-CB 4.09Å; W465-Q475 HydrophobicContact CD2-CG 4.01Å; W465-Q475 HydrophobicContact CE3-CB 3.85Å; W465-Q475 HydrophobicContact CE3-CG 4.21Å; W465-Q475 HydrophobicContact CH2-CB 3.82Å; W465-Q475 VanDerWaalsContact CH2-CD 3.48Å; W465-Q475 HydrophobicContact CH2-CG 3.67Å; W465-Q475 HydrophobicContact CZ2-CB 4.1Å; W465-Q475 HydrophobicContact CZ2-CG 3.48Å; W465-Q475 VanDerWaalsContact CZ2-CG 3.48Å; W465-Q475 HydrophobicContact CZ3-CB 3.68Å; W465-Q475 HydrophobicContact CZ3-CG 4.02Å; Q475-I477 HydrophobicContact CG-CG1 3.98Å
476	Y	93.8	Very high	82.2	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	99.3	168.7	-55	-95.3	0	0	0	106.4	Q76 P78 D79 L441 T442 G463 V464 N474 K478	Q76-Y476 HydrophobicContact CG-CD1 4.07Å; Q76-Y476 HydrophobicContact CG-CE1 4.39Å; P78-Y476 VanDerWaalsContact CA-CE1 3.44Å; P78-Y476 HydrophobicContact CB-CE1 3.98Å; P78-Y476 HydrophobicContact CB-CE2 4.4Å; D79-Y476 WeakPolarHBondContact OD2-CA 3.34Å; L441-Y476 VanDerWaalsContact C-OH 3.25Å; L441-Y476 HydrophobicContact CB-CD1 4.32Å; L441-Y476 HydrophobicContact CB-CD2 4.49Å; L441-Y476 HydrophobicContact CB-CE1 3.74Å; L441-Y476 HydrophobicContact CB-CE2 3.97Å; L441-Y476 HydrophobicContact CD1-CD2 4.15Å; L441-Y476 HydrophobicContact CD1-CE2 4.37Å; L441-Y476 HydrophobicContact CD1-CG 4.29Å; L441-Y476 HydrophobicContact CD2-CD1 4.03Å; L441-Y476 HydrophobicContact CD2-CE1 4.15Å; L441-Y476 HydrophobicContact CG-CE1 4.4Å; L441-Y476 PolarHBondContact O-OH 3.1Å; T442-Y476 HydrophobicContact CG2-CE2 4.48Å; T442-Y476 VanDerWaalsContact CG2-OH 3.31Å; T442-Y476 WeakPolarHBondContact CG2-OH 3.34Å; G463-Y476 CarbonylContact C-O 3.56Å; G463-Y476 WeakPolarHBondContact CA-O 3.19Å; V464-Y476 HydrophobicContact CB-CD2 4.41Å; V464-Y476 PolarHBondContact N-O 3.01Å; V464-Y476 WeakPolarHBondContact O-CA 3.24Å; V464-Y476 WeakPolarHBondContact O-CB 3.38Å; V464-Y476 WeakPolarHBondContact O-CD2 3.38Å; V464-Y476 PolarHBondContact O-N 3.48Å; N474-Y476 HydrophobicContact CB-CE2 3.77Å; Y476-K478 PolarHBondContact O-N 2.96Å
477	I	90.3	Very high	79.9	Confident	66 Å²	66	41.2 Å²	41.2	34%	0.338	19%	0.192	S	C	.	.	S	Bend	trans	-63.5	-33.8	-176.3	-66.8	175.3	0	0	0	110.9	D79 K457 Q475	D79-I477 HydrophobicContact CB-CB 4.24Å; D79-I477 HydrophobicContact CB-CD1 3.7Å; D79-I477 HydrophobicContact CB-CG1 3.73Å; D79-I477 WeakPolarHBondContact OD2-CB 3.29Å; D79-I477 PolarHBondContact OD2-N 3.32Å; K457-I477 WeakPolarHBondContact CE-O 3.39Å; K457-I477 PolarHBondContact NZ-O 2.96Å; Q475-I477 HydrophobicContact CG-CG1 3.98Å
478	K	89.1	Confident	77.5	Confident	74 Å²	74	47.5 Å²	47.5	32%	0.322	23%	0.226	S	C	.	.	S	Bend	trans	-145	121.9	177.6	179.5	-178.9	-172.1	156.3	0	109.4	Q76 E461 I462 Y476 L480	Q76-K478 PolarHBondContact NE2-O 3.06Å; E461-K478 HydrophobicContact CB-CG 4.46Å; E461-K478 HydrophobicContact CG-CD 4.22Å; E461-K478 HydrophobicContact CG-CG 4.32Å; E461-K478 VanDerWaalsContact OE1-CD 3.28Å; E461-K478 WeakPolarHBondContact OE1-CD 3.2Å; E461-K478 VanDerWaalsContact OE1-CE 3.31Å; E461-K478 WeakPolarHBondContact OE1-CE 2.96Å; E461-K478 IonicContact OE1-NZ 2.78Å; E461-K478 PolarHBondContact OE1-NZ 3.07Å; I462-K478 WeakPolarHBondContact O-CA 3.45Å; Y476-K478 PolarHBondContact O-N 2.96Å; K478-L480 PolarHBondContact O-N 3.15Å
479	L	88.3	Confident	76.6	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	24%	0.236	C	C	.	.			trans	-63.9	128.3	165.3	-69.5	180	0	0	0	109.4	L409 V421 L439 L441 I462 V464 D481	L409-L479 HydrophobicContact CD1-CD1 4.31Å; V421-L479 HydrophobicContact CG2-CD2 4.35Å; L439-L479 HydrophobicContact CD2-CD2 4.48Å; L441-L479 HydrophobicContact CD1-CD2 3.81Å; L441-L479 HydrophobicContact CD2-CD2 3.8Å; L441-L479 HydrophobicContact CG-CD2 4.43Å; I462-L479 HydrophobicContact CB-CD1 4.5Å; I462-L479 HydrophobicContact CG2-CD1 4.08Å; I462-L479 PolarHBondContact O-N 3.06Å; V464-L479 HydrophobicContact CB-CD2 4.23Å; V464-L479 HydrophobicContact CG2-CD1 3.67Å; V464-L479 HydrophobicContact CG2-CD2 3.75Å; V464-L479 HydrophobicContact CG2-CG 3.83Å; L479-D481 HydrophobicContact CB-CB 4.2Å; L479-D481 PolarHBondContact O-N 3.14Å
480	L	78.4	Confident	75.8	Confident	37 Å²	37	47.1 Å²	47.1	19%	0.194	23%	0.228	C	C	.	.			trans	-85.6	19.5	175.4	-66.5	173.4	0	0	0	112.4	K60 L61 K478 E482 I483 T484	K60-L480 HydrophobicContact CB-CD1 4.29Å; L61-L480 HydrophobicContact CB-CD1 3.89Å; L61-L480 HydrophobicContact CD2-CB 4.08Å; K478-L480 PolarHBondContact O-N 3.15Å; L480-E482 PolarHBondContact O-N 3.13Å; L480-E482 VanDerWaalsContact O-N 3.15Å; L480-I483 PolarHBondContact O-N 3.15Å; L480-T484 PolarHBondContact O-N 3.39Å; L480-T484 PolarHBondContact O-OG1 3.49Å
481	D	66.8	Low	75	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-29.2	-178.3	74.4	-45.1	0	0	0	113.4	R402 L409 L479 I483 T484 F485	R402-D481 IonicContact CZ-OD1 2.76Å; R402-D481 VanDerWaalsContact NH1-CG 3.27Å; R402-D481 IonicContact NH1-OD1 3.86Å; R402-D481 PolarHBondContact NH1-OD1 3.18Å; R402-D481 IonicContact NH1-OD2 3.35Å; R402-D481 PolarHBondContact NH1-OD2 3.37Å; R402-D481 VanDerWaalsContact NH1-OD2 3.08Å; L409-D481 WeakPolarHBondContact CD1-OD2 3.37Å; L479-D481 HydrophobicContact CB-CB 4.2Å; L479-D481 PolarHBondContact O-N 3.14Å; D481-I483 VanDerWaalsContact C-N 3.31Å; D481-I483 PolarHBondContact O-N 2.63Å; D481-T484 CarbonylContact O-C 3.57Å; D481-T484 WeakPolarHBondContact O-CA 3.35Å; D481-T484 WeakPolarHBondContact O-CB 3.2Å; D481-T484 PolarHBondContact O-N 3.4Å; D481-F485 HydrophobicContact CB-CD2 3.64Å; D481-F485 HydrophobicContact CB-CE2 3.57Å; D481-F485 WeakPolarHBondContact O-CB 3.24Å; D481-F485 WeakPolarHBondContact O-CD2 3.37Å; D481-F485 PolarHBondContact O-N 3.1Å
482	E	56.3	Low	74.1	Confident	60 Å²	60	50.7 Å²	50.7	28%	0.28	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-35.7	-177.4	-146.5	178	-175	0	0	112.5	R402 L480 R486	R402-E482 IonicContact CZ-OE1 3.35Å; R402-E482 IonicContact CZ-OE2 2.84Å; R402-E482 IonicContact NH2-OE1 3.87Å; R402-E482 PolarHBondContact NH2-OE1 3.35Å; R402-E482 VanDerWaalsContact NH2-OE1 3.14Å; R402-E482 IonicContact NH2-OE2 3.78Å; R402-E482 PolarHBondContact NH2-OE2 2.77Å; L480-E482 PolarHBondContact O-N 3.13Å; L480-E482 VanDerWaalsContact O-N 3.15Å; E482-R486 VanDerWaalsContact O-CB 3.27Å; E482-R486 WeakPolarHBondContact O-CB 3.32Å; E482-R486 VanDerWaalsContact O-CD 3.26Å; E482-R486 WeakPolarHBondContact O-CD 3.4Å; E482-R486 WeakPolarHBondContact O-CG 3.43Å; E482-R486 PolarHBondContact O-N 3.02Å; E482-R486 IonicContact OE1-CZ 2.81Å; E482-R486 IonicContact OE1-NH2 3.81Å; E482-R486 PolarHBondContact OE1-NH2 3.27Å
483	I	55.9	Low	73	Confident	86 Å²	86	50.4 Å²	50.4	44%	0.441	24%	0.24	S	C	.	.	H	α-helix	trans	-75.9	-36.5	173	-61.2	169.4	0	0	0	109.1	V57 L480 D481	V57-I483 HydrophobicContact CG1-CG2 3.73Å; L480-I483 PolarHBondContact O-N 3.15Å; D481-I483 VanDerWaalsContact C-N 3.31Å; D481-I483 PolarHBondContact O-N 2.63Å
484	T	58.5	Low	71.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68	-43.5	-176.1	-47.3	0	0	0	0	113.7	F74 I437 L480 D481	F74-T484 HydrophobicContact CB-CG2 3.88Å; F74-T484 HydrophobicContact CD1-CG2 3.91Å; F74-T484 HydrophobicContact CD2-CG2 3.24Å; F74-T484 HydrophobicContact CE1-CG2 4.23Å; F74-T484 HydrophobicContact CE2-CG2 3.62Å; F74-T484 HydrophobicContact CG-CG2 3.39Å; F74-T484 HydrophobicContact CZ-CG2 4.1Å; I437-T484 HydrophobicContact CG2-CG2 3.99Å; L480-T484 PolarHBondContact O-N 3.39Å; L480-T484 PolarHBondContact O-OG1 3.49Å; D481-T484 CarbonylContact O-C 3.57Å; D481-T484 WeakPolarHBondContact O-CA 3.35Å; D481-T484 WeakPolarHBondContact O-CB 3.2Å; D481-T484 PolarHBondContact O-N 3.4Å
485	F	62.8	Low	70	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.018	27%	0.269	C	S	.	.	H	α-helix	trans	-102.7	-10.9	-170.8	-58.6	-44	0	0	0	113.9	Y407 L409 V421 P423 I437 L439 D481 N487 L488	Y407-F485 HydrophobicContact CE1-CB 4.5Å; Y407-F485 HydrophobicContact CE2-CD2 4.13Å; L409-F485 HydrophobicContact CD2-CD2 4.15Å; L409-F485 HydrophobicContact CD2-CE2 3.78Å; V421-F485 HydrophobicContact CG1-CE2 4.23Å; V421-F485 HydrophobicContact CG1-CZ 4.38Å; P423-F485 HydrophobicContact CB-CD1 3.98Å; P423-F485 HydrophobicContact CB-CD2 4.22Å; P423-F485 HydrophobicContact CB-CE1 4.17Å; P423-F485 HydrophobicContact CB-CE2 4.37Å; P423-F485 HydrophobicContact CB-CG 4.03Å; P423-F485 HydrophobicContact CB-CZ 4.37Å; P423-F485 HydrophobicContact CG-CD1 3.55Å; P423-F485 HydrophobicContact CG-CE1 3.55Å; P423-F485 HydrophobicContact CG-CG 4.13Å; P423-F485 HydrophobicContact CG-CZ 4.09Å; I437-F485 HydrophobicContact CG2-CD1 3.96Å; I437-F485 HydrophobicContact CG2-CE1 3.89Å; L439-F485 HydrophobicContact CB-CZ 4.36Å; D481-F485 HydrophobicContact CB-CD2 3.64Å; D481-F485 HydrophobicContact CB-CE2 3.57Å; D481-F485 WeakPolarHBondContact O-CB 3.24Å; D481-F485 WeakPolarHBondContact O-CD2 3.37Å; D481-F485 PolarHBondContact O-N 3.1Å; F485-N487 PolarHBondContact O-N 3.27Å; F485-L488 HydrophobicContact CB-CD1 4.13Å; F485-L488 HydrophobicContact CD1-CD1 4.02Å; F485-L488 HydrophobicContact CG-CD1 4.44Å; F485-L488 WeakPolarHBondContact O-CB 3.49Å; F485-L488 PolarHBondContact O-N 3.36Å
486	R	53.7	Low	68.1	Low	177 Å²	177	58.6 Å²	58.6	67%	0.668	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-15.7	168.1	-83.3	179.1	-170.4	-164.4	7.8	113.3	E482 L488	E482-R486 VanDerWaalsContact O-CB 3.27Å; E482-R486 WeakPolarHBondContact O-CB 3.32Å; E482-R486 VanDerWaalsContact O-CD 3.26Å; E482-R486 WeakPolarHBondContact O-CD 3.4Å; E482-R486 WeakPolarHBondContact O-CG 3.43Å; E482-R486 PolarHBondContact O-N 3.02Å; E482-R486 IonicContact OE1-CZ 2.81Å; E482-R486 IonicContact OE1-NH2 3.81Å; E482-R486 PolarHBondContact OE1-NH2 3.27Å; R486-L488 VanDerWaalsContact C-N 3.3Å
487	N	48.4	Very low	66	Low	117 Å²	117	63.3 Å²	63.3	63%	0.626	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	3.4	174.7	-70.4	-16.4	0	0	0	113.3	F485	F485-N487 PolarHBondContact O-N 3.27Å
488	L	43.4	Very low	63.8	Low	133 Å²	133	63.1 Å²	63.1	70%	0.696	30%	0.298	S	S	*	.			trans	-85.2	0	163.6	-73.6	156.9	0	0	0	109.4	P423 P436 I437 F485 R486	P423-L488 HydrophobicContact CB-CD1 4.1Å; P423-L488 HydrophobicContact CG-CD1 3.61Å; P436-L488 HydrophobicContact CG-CD2 4.04Å; I437-L488 HydrophobicContact CD1-CD2 3.76Å; I437-L488 HydrophobicContact CD1-CG 3.79Å; F485-L488 HydrophobicContact CB-CD1 4.13Å; F485-L488 HydrophobicContact CD1-CD1 4.02Å; F485-L488 HydrophobicContact CG-CD1 4.44Å; F485-L488 WeakPolarHBondContact O-CB 3.49Å; F485-L488 PolarHBondContact O-N 3.36Å; R486-L488 VanDerWaalsContact C-N 3.3Å

Retrieved 488 of 488 residues in 698.4 ms (Link to these results)

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