A0A061ID82_CRIGR Loading...

Thioredoxin-like protein 1

Active thioredoxin with a redox potential of about -250 mV.

AlphaFold DB , UniProt , Accession A0A061ID82, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Txnl1, Length 289 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	43.4	Very low	85.1	Confident	221 Å²	221	72.5 Å²	72.5	100%	1.089	44%	0.442	S	S	*	.				0	126.9	0	-84.7	174.4	168	0	0	108	G3	M1-G3 PolarHBondContact O-N 2.96Å; M1-G3 VanDerWaalsContact O-N 3.16Å
2	V	61.5	Low	85.7	Confident	67 Å²	67	71.9 Å²	71.9	41%	0.406	43%	0.434	S	S	.	.			trans	-80.6	92.7	172.9	-176.2	0	0	0	0	106.2	S48 P52	V2-S48 CarbonylContact O-C 3.51Å; V2-S48 PolarHBondContact O-OG 3.48Å; V2-P52 HydrophobicContact CG2-CB 4.14Å
3	G	85.6	Confident	86.3	Confident	40 Å²	40	66.6 Å²	66.6	41%	0.412	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-84.9	169.7	-179.9	0	0	0	0	0	112	M1 K5	M1-G3 PolarHBondContact O-N 2.96Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-K5 PolarHBondContact O-N 3.3Å
4	V	94.8	Very high	86.3	Confident	34 Å²	34	66.5 Å²	66.5	21%	0.206	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-68.7	120	167.3	-179.2	0	0	0	0	108.2	F44 F56 E58	V4-F44 HydrophobicContact CB-CD1 4.48Å; V4-F44 HydrophobicContact CB-CE1 4.45Å; V4-F44 HydrophobicContact CG1-CD1 4Å; V4-F44 HydrophobicContact CG1-CE1 3.68Å; V4-F44 HydrophobicContact CG2-CD1 3.61Å; V4-F44 HydrophobicContact CG2-CE1 3.86Å; V4-F56 HydrophobicContact CG2-CB 4.18Å; V4-E58 HydrophobicContact CG1-CB 3.66Å
5	K	95.2	Very high	86.6	Confident	99 Å²	99	67.2 Å²	67.2	43%	0.43	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.9	-178.3	-174.9	174.7	179.5	-173.6	0	110.5	G3 E16 F56 L57 E58	G3-K5 PolarHBondContact O-N 3.3Å; K5-E16 VanDerWaalsContact CD-OE2 3.29Å; K5-E16 WeakPolarHBondContact CD-OE2 3.37Å; K5-E16 WeakPolarHBondContact CE-OE1 3.11Å; K5-E16 WeakPolarHBondContact CE-OE2 3.34Å; K5-E16 IonicContact NZ-OE1 3.96Å; K5-E16 PolarHBondContact NZ-OE1 2.57Å; K5-E16 IonicContact NZ-OE2 3.96Å; K5-E16 PolarHBondContact NZ-OE2 3.02Å; K5-F56 PolarHBondContact N-O 2.84Å; K5-L57 HydrophobicContact CB-CD2 3.96Å; K5-L57 HydrophobicContact CG-CD2 4.5Å; K5-L57 CarbonylContact O-C 3.57Å; K5-L57 WeakPolarHBondContact O-CA 3.43Å; K5-E58 PolarHBondContact O-N 2.97Å
6	P	95.1	Very high	87	Confident	94 Å²	94	65.4 Å²	65.4	61%	0.61	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	137.4	175.4	29.7	-33.3	0	0	0	111
7	V	95.4	Very high	87.1	Confident	3 Å²	3	61.8 Å²	61.8	2%	0.018	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	109.4	169.6	-179	0	0	0	0	107.4	D12 F13 E16 L57 E58 V59	V7-D12 HydrophobicContact CG1-CB 4.06Å; V7-F13 HydrophobicContact CG1-CB 4.07Å; V7-F13 HydrophobicContact CG1-CD2 4.39Å; V7-F13 HydrophobicContact CG2-CD2 4.42Å; V7-E16 HydrophobicContact CG2-CG 4.28Å; V7-L57 HydrophobicContact CG2-CB 4.24Å; V7-L57 HydrophobicContact CG2-CD1 4.48Å; V7-E58 PolarHBondContact N-O 3.3Å; V7-V59 HydrophobicContact CB-CG2 3.89Å; V7-V59 HydrophobicContact CG1-CG2 4.44Å; V7-V59 HydrophobicContact CG2-CG2 3.8Å
8	G	88.2	Confident	87.1	Confident	47 Å²	47	61.8 Å²	61.8	49%	0.485	37%	0.37	S	S	.	.			trans	-77.7	-22.2	-169.6	0	0	0	0	0	114.9
9	S	92.7	Very high	87	Confident	40 Å²	40	61.3 Å²	61.3	28%	0.28	38%	0.379	S	S	.	.	S	Bend	trans	-158.4	163.7	-178	69.8	0	0	0	0	112.7	P11 D12 C64	S9-P11 WeakPolarHBondContact OG-CD 3.49Å; S9-D12 PolarHBondContact N-OD2 2.77Å; S9-D12 WeakPolarHBondContact O-CB 3.4Å; S9-D12 PolarHBondContact O-N 3Å; S9-D12 PolarHBondContact OG-OD2 3.15Å; S9-C64 VanDerWaalsContact CA-SG 3.59Å
10	D	91.6	Very high	87	Confident	55 Å²	55	58.5 Å²	58.5	29%	0.294	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-52.3	-44.7	177.5	-76.5	-53	0	0	0	113.9	D12 F13 C64 Q65 G66 T67	D10-D12 PolarHBondContact O-N 2.8Å; D10-F13 PolarHBondContact O-N 2.87Å; D10-C64 WeakPolarHBondContact OD1-CA 3.08Å; D10-C64 WeakPolarHBondContact OD1-CB 3.29Å; D10-Q65 PolarHBondContact OD2-N 2.92Å; D10-G66 PolarHBondContact OD1-N 3.14Å; D10-G66 PolarHBondContact OD2-N 2.99Å; D10-T67 WeakPolarHBondContact OD1-CB 3.3Å; D10-T67 PolarHBondContact OD1-N 3.37Å; D10-T67 PolarHBondContact OD1-OG1 3.23Å
11	P	92.4	Very high	86.9	Confident	97 Å²	97	57.2 Å²	57.2	63%	0.63	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-62.7	-24.5	177	-25.3	34.7	0	0	0	115.1	S9 P15	S9-P11 WeakPolarHBondContact OG-CD 3.49Å; P11-P15 WeakPolarHBondContact O-CD 3.38Å
12	D	92.1	Very high	88.5	Confident	66 Å²	66	47.5 Å²	47.5	35%	0.353	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-79.4	-22.8	-175.9	-59.8	-35.1	0	0	0	111.8	V7 S9 D10 Q14 P15 E16	V7-D12 HydrophobicContact CG1-CB 4.06Å; S9-D12 PolarHBondContact N-OD2 2.77Å; S9-D12 WeakPolarHBondContact O-CB 3.4Å; S9-D12 PolarHBondContact O-N 3Å; S9-D12 PolarHBondContact OG-OD2 3.15Å; D10-D12 PolarHBondContact O-N 2.8Å; D12-Q14 VanDerWaalsContact C-N 3.32Å; D12-Q14 PolarHBondContact O-N 3.32Å; D12-P15 VanDerWaalsContact O-CD 3.25Å; D12-P15 WeakPolarHBondContact O-CD 3.18Å; D12-E16 VanDerWaalsContact O-CG 3.3Å; D12-E16 WeakPolarHBondContact O-CG 3.43Å; D12-E16 PolarHBondContact O-N 2.97Å; D12-E16 VanDerWaalsContact O-N 3.09Å
13	F	93.5	Very high	89.7	Confident	3 Å²	3	48.3 Å²	48.3	1%	0.013	31%	0.311	C	S	.	.	H	α-helix	trans	-58.4	-42	-176.2	-173.8	-119.3	0	0	0	113.1	V7 D10 E16 L17 V27 F29 V59 T67 F82 M275	V7-F13 HydrophobicContact CG1-CB 4.07Å; V7-F13 HydrophobicContact CG1-CD2 4.39Å; V7-F13 HydrophobicContact CG2-CD2 4.42Å; D10-F13 PolarHBondContact O-N 2.87Å; F13-E16 PolarHBondContact O-N 3.43Å; F13-L17 HydrophobicContact CD1-CD1 3.96Å; F13-L17 HydrophobicContact CE1-CD1 3.4Å; F13-L17 VanDerWaalsContact CE1-CD1 3.4Å; F13-L17 HydrophobicContact CE1-CG 4.3Å; F13-L17 HydrophobicContact CE2-CD1 4.06Å; F13-L17 HydrophobicContact CE2-CD2 4.48Å; F13-L17 HydrophobicContact CE2-CG 4.12Å; F13-L17 HydrophobicContact CZ-CD1 3.46Å; F13-L17 VanDerWaalsContact CZ-CD1 3.46Å; F13-L17 HydrophobicContact CZ-CD2 4.42Å; F13-L17 HydrophobicContact CZ-CG 4.03Å; F13-L17 PolarHBondContact O-N 3.23Å; F13-V27 HydrophobicContact CE2-CG1 3.8Å; F13-V27 HydrophobicContact CE2-CG2 4.09Å; F13-V27 HydrophobicContact CZ-CG1 4.43Å; F13-V27 HydrophobicContact CZ-CG2 4.45Å; F13-F29 HydrophobicContact CZ-CZ 4.38Å; F13-V59 HydrophobicContact CD2-CG2 4.07Å; F13-V59 HydrophobicContact CE2-CG2 4.11Å; F13-T67 HydrophobicContact CB-CG2 4.07Å; F13-T67 HydrophobicContact CD1-CG2 3.39Å; F13-T67 HydrophobicContact CD2-CG2 3.91Å; F13-T67 HydrophobicContact CE1-CG2 3.66Å; F13-T67 HydrophobicContact CE2-CG2 4.18Å; F13-T67 HydrophobicContact CG-CG2 3.51Å; F13-T67 HydrophobicContact CZ-CG2 4.05Å; F13-F82 HydrophobicContact CZ-CE2 4.11Å; F13-F82 HydrophobicContact CZ-CZ 4.05Å; F13-M275 HydrophobicContact CD1-CE 4.09Å; F13-M275 HydrophobicContact CE1-CE 3.64Å
14	Q	87.3	Confident	89.9	Confident	65 Å²	65	46.4 Å²	46.4	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-67.6	-49.2	-179.8	-71.6	-53.4	-54.7	0	0	113.5	D12 E16 L17 S18 M275	D12-Q14 VanDerWaalsContact C-N 3.32Å; D12-Q14 PolarHBondContact O-N 3.32Å; Q14-E16 VanDerWaalsContact C-N 3.28Å; Q14-E16 PolarHBondContact O-N 3.04Å; Q14-L17 PolarHBondContact O-N 3.08Å; Q14-S18 VanDerWaalsContact O-CB 3.28Å; Q14-S18 WeakPolarHBondContact O-CB 3.4Å; Q14-S18 PolarHBondContact O-N 3.22Å; Q14-S18 PolarHBondContact O-OG 3.41Å; Q14-M275 PolarHBondContact NE2-SD 3.12Å; Q14-M275 PolarHBondContact OE1-SD 3.2Å; Q14-M275 VanDerWaalsContact OE1-SD 3.37Å
15	P	90.5	Very high	89.9	Confident	77 Å²	77	44.9 Å²	44.9	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-53.2	-43.2	170.7	-28.8	32.3	0	0	0	113.4	P11 D12 S18 G19	P11-P15 WeakPolarHBondContact O-CD 3.38Å; D12-P15 VanDerWaalsContact O-CD 3.25Å; D12-P15 WeakPolarHBondContact O-CD 3.18Å; P15-S18 PolarHBondContact O-N 2.89Å; P15-G19 PolarHBondContact O-N 3.23Å
16	E	92.6	Very high	90	Very high	39 Å²	39	40.2 Å²	40.2	18%	0.182	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-45.1	-178.9	-66.4	-52.8	153	0	0	112.4	K5 V7 D12 F13 Q14 S18 G19 A20 L57	K5-E16 VanDerWaalsContact CD-OE2 3.29Å; K5-E16 WeakPolarHBondContact CD-OE2 3.37Å; K5-E16 WeakPolarHBondContact CE-OE1 3.11Å; K5-E16 WeakPolarHBondContact CE-OE2 3.34Å; K5-E16 IonicContact NZ-OE1 3.96Å; K5-E16 PolarHBondContact NZ-OE1 2.57Å; K5-E16 IonicContact NZ-OE2 3.96Å; K5-E16 PolarHBondContact NZ-OE2 3.02Å; V7-E16 HydrophobicContact CG2-CG 4.28Å; D12-E16 VanDerWaalsContact O-CG 3.3Å; D12-E16 WeakPolarHBondContact O-CG 3.43Å; D12-E16 PolarHBondContact O-N 2.97Å; D12-E16 VanDerWaalsContact O-N 3.09Å; F13-E16 PolarHBondContact O-N 3.43Å; Q14-E16 VanDerWaalsContact C-N 3.28Å; Q14-E16 PolarHBondContact O-N 3.04Å; E16-S18 VanDerWaalsContact C-N 3.31Å; E16-S18 PolarHBondContact O-N 2.89Å; E16-G19 PolarHBondContact O-N 2.85Å; E16-A20 PolarHBondContact O-N 3.47Å; E16-L57 HydrophobicContact CB-CD1 3.79Å; E16-L57 HydrophobicContact CB-CD2 4.17Å
17	L	89.6	Confident	90.1	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-37.8	173.3	-75.2	-178.4	0	0	0	112.1	F13 Q14 G19 A20 A25 V27 L57 F82 K85 M275	F13-L17 HydrophobicContact CD1-CD1 3.96Å; F13-L17 HydrophobicContact CE1-CD1 3.4Å; F13-L17 VanDerWaalsContact CE1-CD1 3.4Å; F13-L17 HydrophobicContact CE1-CG 4.3Å; F13-L17 HydrophobicContact CE2-CD1 4.06Å; F13-L17 HydrophobicContact CE2-CD2 4.48Å; F13-L17 HydrophobicContact CE2-CG 4.12Å; F13-L17 HydrophobicContact CZ-CD1 3.46Å; F13-L17 VanDerWaalsContact CZ-CD1 3.46Å; F13-L17 HydrophobicContact CZ-CD2 4.42Å; F13-L17 HydrophobicContact CZ-CG 4.03Å; F13-L17 PolarHBondContact O-N 3.23Å; Q14-L17 PolarHBondContact O-N 3.08Å; L17-G19 VanDerWaalsContact C-N 3.34Å; L17-A20 WeakPolarHBondContact O-CB 3.48Å; L17-A20 PolarHBondContact O-N 2.83Å; L17-A25 HydrophobicContact CD2-CB 4.04Å; L17-V27 HydrophobicContact CD2-CG2 4.09Å; L17-L57 HydrophobicContact CD2-CD1 4.22Å; L17-F82 HydrophobicContact CD1-CD1 4.19Å; L17-F82 HydrophobicContact CD1-CE1 4.27Å; L17-F82 HydrophobicContact CD1-CG 4.42Å; L17-F82 HydrophobicContact CD2-CB 3.91Å; L17-F82 HydrophobicContact CD2-CD1 4.43Å; L17-F82 HydrophobicContact CD2-CD2 3.95Å; L17-F82 HydrophobicContact CD2-CG 3.86Å; L17-K85 HydrophobicContact CB-CG 4.36Å; L17-M275 HydrophobicContact CD1-CE 3.9Å; L17-M275 HydrophobicContact CD1-SD 4.33Å
18	S	85.7	Confident	90.3	Very high	62 Å²	62	35.7 Å²	35.7	43%	0.434	23%	0.232	S	C	.	.	H	α-helix	trans	-67	-37.4	177.5	-59.8	0	0	0	0	111.7	Q14 P15 E16 A20 G21	Q14-S18 VanDerWaalsContact O-CB 3.28Å; Q14-S18 WeakPolarHBondContact O-CB 3.4Å; Q14-S18 PolarHBondContact O-N 3.22Å; Q14-S18 PolarHBondContact O-OG 3.41Å; P15-S18 PolarHBondContact O-N 2.89Å; E16-S18 VanDerWaalsContact C-N 3.31Å; E16-S18 PolarHBondContact O-N 2.89Å; S18-A20 PolarHBondContact O-N 3.21Å; S18-G21 PolarHBondContact O-N 3.34Å
19	G	86.1	Confident	90.7	Very high	52 Å²	52	33.5 Å²	33.5	54%	0.536	21%	0.209	S	C	.	.	H	α-helix	trans	-69.1	-18.7	175.4	0	0	0	0	0	113.8	P15 E16 L17 G21 R23	P15-G19 PolarHBondContact O-N 3.23Å; E16-G19 PolarHBondContact O-N 2.85Å; L17-G19 VanDerWaalsContact C-N 3.34Å; G19-G21 VanDerWaalsContact C-N 3.34Å; G19-R23 PolarHBondContact O-NH2 2.86Å; G19-R23 VanDerWaalsContact O-NH2 3.08Å
20	A	87	Confident	90.9	Very high	5 Å²	5	32.2 Å²	32.2	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-68.4	-34.9	170.6	0	0	0	0	0	111.9	E16 L17 S18 R23 A25 V55	E16-A20 PolarHBondContact O-N 3.47Å; L17-A20 WeakPolarHBondContact O-CB 3.48Å; L17-A20 PolarHBondContact O-N 2.83Å; S18-A20 PolarHBondContact O-N 3.21Å; A20-R23 WeakPolarHBondContact O-CB 3.47Å; A20-R23 PolarHBondContact O-N 3.04Å; A20-R23 PolarHBondContact O-NE 3.18Å; A20-R23 VanDerWaalsContact O-NE 3.07Å; A20-A25 HydrophobicContact CB-CB 3.86Å; A20-V55 HydrophobicContact CB-CB 4.09Å; A20-V55 HydrophobicContact CB-CG1 4.42Å; A20-V55 HydrophobicContact CB-CG2 3.9Å
21	G	83.9	Confident	91.1	Very high	33 Å²	33	33 Å²	33	34%	0.34	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	-129.8	-177.7	0	0	0	0	0	111.8	S18 G19 R23 N84	S18-G21 PolarHBondContact O-N 3.34Å; G19-G21 VanDerWaalsContact C-N 3.34Å; G21-R23 VanDerWaalsContact C-N 3.33Å; G21-N84 PolarHBondContact O-N 3.38Å; G21-N84 PolarHBondContact O-OD1 2.76Å
22	S	76.9	Confident	90.9	Very high	17 Å²	17	37.6 Å²	37.6	12%	0.119	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-15.3	176.4	61.4	0	0	0	0	113.9	R83 N84 D116	S22-R83 WeakPolarHBondContact O-CG 3.41Å; S22-R83 PolarHBondContact O-NE 3.48Å; S22-N84 VanDerWaalsContact CA-OD1 3.32Å; S22-N84 WeakPolarHBondContact CA-OD1 3.4Å; S22-D116 WeakPolarHBondContact CB-OD2 3.23Å
23	R	86.6	Confident	90.8	Very high	84 Å²	84	38.2 Å²	38.2	32%	0.317	23%	0.229	S	C	.	.	S	Bend	trans	-66.8	147.7	179.9	-61.7	177.6	-66.7	164.8	-4.1	110.9	G19 A20 G21 A25 Q53	G19-R23 PolarHBondContact O-NH2 2.86Å; G19-R23 VanDerWaalsContact O-NH2 3.08Å; A20-R23 WeakPolarHBondContact O-CB 3.47Å; A20-R23 PolarHBondContact O-N 3.04Å; A20-R23 PolarHBondContact O-NE 3.18Å; A20-R23 VanDerWaalsContact O-NE 3.07Å; G21-R23 VanDerWaalsContact C-N 3.33Å; R23-A25 PolarHBondContact O-N 3.24Å; R23-Q53 WeakPolarHBondContact CD-O 3.29Å
24	L	91.1	Very high	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.23	C	C	.	.			trans	-56.1	124.5	168.6	-176.5	64.8	0	0	0	111.1	V26 A54 V55 F81 I88 H106 L107 D110	L24-V26 HydrophobicContact CD2-CG2 4.01Å; L24-V26 HydrophobicContact CG-CG2 4.02Å; L24-A54 HydrophobicContact CB-CB 4.16Å; L24-A54 HydrophobicContact CD2-CB 4.47Å; L24-A54 CarbonylContact O-C 3.49Å; L24-A54 VanDerWaalsContact O-CA 3.29Å; L24-A54 WeakPolarHBondContact O-CA 3.27Å; L24-A54 WeakPolarHBondContact O-CB 3.47Å; L24-V55 PolarHBondContact O-N 3.5Å; L24-F81 HydrophobicContact CD1-CB 4.25Å; L24-F81 HydrophobicContact CD1-CD1 4.21Å; L24-F81 HydrophobicContact CD2-CD1 4.45Å; L24-I88 HydrophobicContact CD1-CD1 3.82Å; L24-H106 HydrophobicContact CD1-CB 3.89Å; L24-H106 HydrophobicContact CD2-CB 3.74Å; L24-H106 HydrophobicContact CG-CB 4.46Å; L24-L107 HydrophobicContact CB-CD2 4.25Å; L24-L107 HydrophobicContact CD2-CD2 4.04Å; L24-L107 HydrophobicContact CD2-CG 3.97Å; L24-D110 WeakPolarHBondContact CB-OD2 3.43Å; L24-D110 PolarHBondContact N-OD2 2.69Å
25	A	95	Very high	91	Very high	2 Å²	2	36.9 Å²	36.9	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.1	168.7	0	0	0	0	0	110.3	L17 A20 R23 V55 F81 F82	L17-A25 HydrophobicContact CD2-CB 4.04Å; A20-A25 HydrophobicContact CB-CB 3.86Å; R23-A25 PolarHBondContact O-N 3.24Å; A25-V55 CarbonylContact C-O 3.56Å; A25-V55 VanDerWaalsContact CA-O 3.28Å; A25-V55 WeakPolarHBondContact CA-O 3.24Å; A25-V55 HydrophobicContact CB-CB 4.34Å; A25-F81 WeakPolarHBondContact O-CA 3.36Å; A25-F82 HydrophobicContact CB-CB 4.23Å; A25-F82 PolarHBondContact N-O 3.27Å; A25-F82 PolarHBondContact O-N 2.85Å
26	V	97.1	Very high	91.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.2	177.7	-168	0	0	0	0	108.5	L24 F44 V55 F56 L57 F81 I103	L24-V26 HydrophobicContact CD2-CG2 4.01Å; L24-V26 HydrophobicContact CG-CG2 4.02Å; V26-F44 HydrophobicContact CB-CE2 4.39Å; V26-F44 HydrophobicContact CB-CZ 4.5Å; V26-F44 HydrophobicContact CG1-CE2 3.78Å; V26-F44 HydrophobicContact CG1-CZ 4.2Å; V26-V55 PolarHBondContact N-O 3.49Å; V26-F56 HydrophobicContact CB-CD1 4.33Å; V26-F56 HydrophobicContact CB-CE1 4.36Å; V26-F56 HydrophobicContact CG2-CE1 4.43Å; V26-L57 PolarHBondContact O-N 3.19Å; V26-F81 HydrophobicContact CG1-CD1 4.35Å; V26-F81 HydrophobicContact CG1-CE1 4.09Å; V26-F81 HydrophobicContact CG1-CZ 4.42Å; V26-F81 HydrophobicContact CG2-CD1 4.08Å; V26-F81 HydrophobicContact CG2-CE1 4.19Å; V26-I103 HydrophobicContact CG1-CD1 4.49Å; V26-I103 HydrophobicContact CG1-CG1 4.49Å; V26-I103 HydrophobicContact CG2-CG1 4.19Å
27	V	97.8	Very high	91.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.2	-174.8	-174.2	0	0	0	0	109.8	F13 L17 F29 L57 V59 F79 L80 F82	F13-V27 HydrophobicContact CE2-CG1 3.8Å; F13-V27 HydrophobicContact CE2-CG2 4.09Å; F13-V27 HydrophobicContact CZ-CG1 4.43Å; F13-V27 HydrophobicContact CZ-CG2 4.45Å; L17-V27 HydrophobicContact CD2-CG2 4.09Å; V27-F29 HydrophobicContact CB-CE2 4.18Å; V27-F29 HydrophobicContact CG1-CD2 4.06Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 4.03Å; V27-L57 HydrophobicContact CB-CB 4.49Å; V27-L57 HydrophobicContact CG1-CB 4.32Å; V27-L57 HydrophobicContact CG2-CB 4.17Å; V27-L57 HydrophobicContact CG2-CD1 4.1Å; V27-V59 HydrophobicContact CG1-CB 4.42Å; V27-V59 HydrophobicContact CG1-CG2 3.53Å; V27-F79 CarbonylContact O-C 3.59Å; V27-F79 VanDerWaalsContact O-CA 3.3Å; V27-F79 WeakPolarHBondContact O-CA 3.43Å; V27-L80 PolarHBondContact N-O 2.85Å; V27-L80 PolarHBondContact O-N 2.94Å; V27-F82 HydrophobicContact CB-CD2 4.4Å; V27-F82 HydrophobicContact CB-CE2 4.16Å; V27-F82 HydrophobicContact CG2-CD2 3.61Å; V27-F82 HydrophobicContact CG2-CE2 3.71Å
28	K	97.9	Very high	91.5	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112.6	172.7	-177.7	-177.2	69.4	175.2	0	110.5	F44 L57 E58 V59 F79	K28-F44 HydrophobicContact CB-CD1 4.14Å; K28-F44 HydrophobicContact CB-CE1 3.59Å; K28-F44 HydrophobicContact CB-CE2 4.4Å; K28-F44 HydrophobicContact CB-CZ 3.73Å; K28-F44 HydrophobicContact CD-CD1 3.92Å; K28-F44 HydrophobicContact CD-CE1 4.25Å; K28-F44 HydrophobicContact CD-CG 4.28Å; K28-L57 PolarHBondContact N-O 2.83Å; K28-E58 WeakPolarHBondContact CE-OE2 3.41Å; K28-E58 IonicContact NZ-OE2 2.63Å; K28-E58 PolarHBondContact NZ-OE2 2.79Å; K28-E58 WeakPolarHBondContact O-CA 3.35Å; K28-V59 PolarHBondContact O-N 3.5Å; K28-F79 HydrophobicContact CB-CD1 3.78Å; K28-F79 HydrophobicContact CB-CE1 3.64Å; K28-F79 HydrophobicContact CD-CE1 3.64Å; K28-F79 HydrophobicContact CD-CZ 3.91Å; K28-F79 HydrophobicContact CG-CD1 3.96Å; K28-F79 HydrophobicContact CG-CE1 3.43Å; K28-F79 VanDerWaalsContact CG-CE1 3.43Å; K28-F79 HydrophobicContact CG-CZ 3.85Å
29	F	97.8	Very high	92	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	123	166.1	-69.6	-94.1	0	0	0	110.1	F13 V27 V59 V61 T67 A68 N71 I73 P77 T78 L80	F13-F29 HydrophobicContact CZ-CZ 4.38Å; V27-F29 HydrophobicContact CB-CE2 4.18Å; V27-F29 HydrophobicContact CG1-CD2 4.06Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 4.03Å; F29-V59 CarbonylContact C-O 3.58Å; F29-V59 WeakPolarHBondContact CA-O 3.05Å; F29-V59 HydrophobicContact CD1-CB 3.85Å; F29-V59 HydrophobicContact CD1-CG1 3.79Å; F29-V59 HydrophobicContact CE1-CB 3.94Å; F29-V59 HydrophobicContact CE1-CG1 3.68Å; F29-V59 HydrophobicContact CE1-CG2 4.33Å; F29-V59 HydrophobicContact CG-CB 4.43Å; F29-V59 HydrophobicContact CZ-CG2 4.5Å; F29-V61 HydrophobicContact CB-CG1 4.08Å; F29-V61 HydrophobicContact CD1-CG1 4.13Å; F29-T67 HydrophobicContact CE1-CG2 4.02Å; F29-T67 HydrophobicContact CZ-CG2 4.18Å; F29-A68 HydrophobicContact CD1-CB 4.48Å; F29-N71 HydrophobicContact CZ-CB 4.04Å; F29-I73 HydrophobicContact CB-CD1 4.27Å; F29-I73 HydrophobicContact CB-CG1 4.3Å; F29-I73 HydrophobicContact CB-CG2 4.02Å; F29-I73 HydrophobicContact CD1-CD1 4.19Å; F29-I73 HydrophobicContact CD1-CG1 3.67Å; F29-I73 HydrophobicContact CD2-CD1 3.6Å; F29-I73 HydrophobicContact CD2-CG1 4.04Å; F29-I73 HydrophobicContact CE1-CD1 4.43Å; F29-I73 HydrophobicContact CE1-CG1 3.9Å; F29-I73 HydrophobicContact CE2-CD1 3.92Å; F29-I73 HydrophobicContact CE2-CG1 4.29Å; F29-I73 HydrophobicContact CG-CD1 3.74Å; F29-I73 HydrophobicContact CG-CG1 3.72Å; F29-I73 HydrophobicContact CG-CG2 4.36Å; F29-I73 HydrophobicContact CZ-CD1 4.31Å; F29-I73 HydrophobicContact CZ-CG1 4.2Å; F29-P77 WeakPolarHBondContact O-CA 3.43Å; F29-T78 PolarHBondContact N-O 2.73Å; F29-T78 PolarHBondContact O-N 3.42Å; F29-L80 HydrophobicContact CD2-CD1 4.32Å; F29-L80 HydrophobicContact CD2-CG 4.08Å; F29-L80 HydrophobicContact CE2-CB 4.19Å; F29-L80 HydrophobicContact CE2-CD1 3.62Å; F29-L80 HydrophobicContact CE2-CG 3.75Å; F29-L80 HydrophobicContact CZ-CD1 4.27Å
30	T	96.8	Very high	92.4	Very high	14 Å²	14	42.4 Å²	42.4	9%	0.086	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	169.3	-174	-170.6	0	0	0	0	111	C37 E58 V59 D60 V61	T30-C37 WeakPolarHBondContact OG1-CB 3.35Å; T30-E58 HydrophobicContact CG2-CG 3.68Å; T30-V59 PolarHBondContact N-O 2.76Å; T30-D60 WeakPolarHBondContact O-CA 3.48Å; T30-V61 WeakPolarHBondContact O-CG2 3.28Å; T30-V61 PolarHBondContact O-N 2.93Å
31	M	94.6	Very high	92.8	Very high	72 Å²	72	43.7 Å²	43.7	36%	0.355	24%	0.242	S	C	.	.			trans	-144.5	153.6	169.8	72.4	-175.2	-178.4	0	0	110.7	C34 V61 T76	M31-C34 HydrophobicContact CE-CB 3.74Å; M31-C34 HydrophobicContact CG-CB 3.51Å; M31-C34 VanDerWaalsContact O-CB 3.27Å; M31-C34 WeakPolarHBondContact O-CB 3.32Å; M31-C34 PolarHBondContact O-N 2.56Å; M31-C34 HydrophobicContact SD-CB 4.5Å; M31-V61 HydrophobicContact CB-CG2 3.74Å; M31-T76 HydrophobicContact CB-CG2 4.43Å; M31-T76 HydrophobicContact CG-CG2 4.47Å; M31-T76 VanDerWaalsContact CG-OG1 3.3Å; M31-T76 WeakPolarHBondContact CG-OG1 3.43Å; M31-T76 PolarHBondContact SD-OG1 2.83Å; M31-T76 VanDerWaalsContact SD-OG1 3.36Å
32	R	89.8	Confident	93.4	Very high	193 Å²	193	46.5 Å²	46.5	73%	0.728	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	142.9	172.6	-66.4	-173	-179.5	-163.8	-0.8	111.3	C34	R32-C34 PolarHBondContact O-N 3.21Å
33	G	89.1	Confident	94.3	Very high	79 Å²	79	47 Å²	47	81%	0.814	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	4.4	179.7	0	0	0	0	0	115	G35	G33-G35 PolarHBondContact O-N 3.37Å
34	C	91.7	Very high	94.8	Very high	5 Å²	5	43 Å²	43	3%	0.034	25%	0.245	C	C	.	.			trans	-79.8	103.5	175.3	171.5	0	0	0	0	111.4	M31 R32 C37 L38	M31-C34 HydrophobicContact CE-CB 3.74Å; M31-C34 HydrophobicContact CG-CB 3.51Å; M31-C34 VanDerWaalsContact O-CB 3.27Å; M31-C34 WeakPolarHBondContact O-CB 3.32Å; M31-C34 PolarHBondContact O-N 2.56Å; M31-C34 HydrophobicContact SD-CB 4.5Å; R32-C34 PolarHBondContact O-N 3.21Å; C34-C37 HydrophobicContact CB-CB 3.55Å; C34-C37 WeakPolarHBondContact CB-SG 3.35Å; C34-C37 WeakPolarHBondContact O-CB 3.2Å; C34-C37 PolarHBondContact O-N 3.5Å; C34-C37 VanDerWaalsContact O-N 3.13Å; C34-C37 WeakPolarHBondContact SG-CB 3.11Å; C34-C37 PolarHBondContact SG-N 3.08Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 3.16Å; C34-L38 PolarHBondContact O-N 3.1Å
35	G	93.4	Very high	95	Very high	34 Å²	34	45.5 Å²	45.5	35%	0.351	26%	0.262	S	S	.	.	H	α-helix	trans	-52.9	-49.7	175.9	0	0	0	0	0	113.9	G33 C37 L38 R39	G33-G35 PolarHBondContact O-N 3.37Å; G35-C37 VanDerWaalsContact C-N 3.31Å; G35-C37 PolarHBondContact O-N 2.88Å; G35-L38 PolarHBondContact O-N 3.15Å; G35-R39 WeakPolarHBondContact O-CG 3.34Å; G35-R39 PolarHBondContact O-N 3.2Å; G35-R39 VanDerWaalsContact O-N 3.1Å
36	P	94.9	Very high	95	Very high	47 Å²	47	49.1 Å²	49.1	31%	0.305	29%	0.288	S	S	.	.	H	α-helix	trans	-58.7	-37.9	175.3	-25.2	34.7	0	0	0	113.8	R39 I40 A94	P36-R39 PolarHBondContact O-N 3.05Å; P36-I40 PolarHBondContact O-N 3.03Å; P36-A94 HydrophobicContact CB-CB 3.71Å; P36-A94 VanDerWaalsContact O-CB 3.3Å; P36-A94 WeakPolarHBondContact O-CB 3.44Å
37	C	94.7	Very high	95	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-40.1	178.5	-52.9	0	0	0	0	111.8	T30 C34 G35 R39 A41	T30-C37 WeakPolarHBondContact OG1-CB 3.35Å; C34-C37 HydrophobicContact CB-CB 3.55Å; C34-C37 WeakPolarHBondContact CB-SG 3.35Å; C34-C37 WeakPolarHBondContact O-CB 3.2Å; C34-C37 PolarHBondContact O-N 3.5Å; C34-C37 VanDerWaalsContact O-N 3.13Å; C34-C37 WeakPolarHBondContact SG-CB 3.11Å; C34-C37 PolarHBondContact SG-N 3.08Å; C34-C37 CovalentContact SG-SG 2.05Å; C34-C37 PolarHBondContact SG-SG 3.16Å; G35-C37 VanDerWaalsContact C-N 3.31Å; G35-C37 PolarHBondContact O-N 2.88Å; C37-R39 VanDerWaalsContact C-N 3.34Å; C37-A41 WeakPolarHBondContact O-CB 3.32Å; C37-A41 PolarHBondContact O-N 2.93Å; C37-A41 VanDerWaalsContact O-N 3.15Å
38	L	93.9	Very high	94.9	Very high	126 Å²	126	49.5 Å²	49.5	66%	0.66	29%	0.289	S	S	*	.	H	α-helix	trans	-64.2	-39.2	174.4	-67.7	172.3	0	0	0	111.8	C34 G35 P42	C34-L38 PolarHBondContact O-N 3.1Å; G35-L38 PolarHBondContact O-N 3.15Å; L38-P42 WeakPolarHBondContact O-CD 3.2Å
39	R	94.9	Very high	94.7	Very high	169 Å²	169	52.7 Å²	52.7	64%	0.638	31%	0.307	S	S	*	.	H	α-helix	trans	-64.7	-41.5	179.1	-70.8	-165.4	-55.9	-94.6	4.7	113	G35 P36 C37 P42	G35-R39 WeakPolarHBondContact O-CG 3.34Å; G35-R39 PolarHBondContact O-N 3.2Å; G35-R39 VanDerWaalsContact O-N 3.1Å; P36-R39 PolarHBondContact O-N 3.05Å; C37-R39 VanDerWaalsContact C-N 3.34Å; R39-P42 WeakPolarHBondContact O-CD 3.43Å
40	I	96.4	Very high	94.5	Very high	3 Å²	3	58.2 Å²	58.2	2%	0.015	33%	0.331	C	S	.	.	H	α-helix	trans	-83.9	-17.3	-177.3	-164.7	154.2	0	0	0	113.5	P36 A43 F44 P77 F79 A94 L99	P36-I40 PolarHBondContact O-N 3.03Å; I40-A43 PolarHBondContact O-N 3.47Å; I40-F44 PolarHBondContact O-N 3.09Å; I40-P77 HydrophobicContact CG2-CB 4.21Å; I40-P77 HydrophobicContact CG2-CG 3.95Å; I40-F79 HydrophobicContact CD1-CE2 3.83Å; I40-F79 HydrophobicContact CD1-CZ 3.6Å; I40-F79 HydrophobicContact CG1-CZ 4Å; I40-F79 HydrophobicContact CG2-CZ 3.93Å; I40-A94 HydrophobicContact CB-CB 4.16Å; I40-A94 HydrophobicContact CG2-CB 4.42Å; I40-L99 HydrophobicContact CD1-CD2 3.88Å; I40-L99 HydrophobicContact CG1-CD2 4.42Å
41	A	94.6	Very high	94.3	Very high	33 Å²	33	58.6 Å²	58.6	27%	0.273	33%	0.33	S	S	.	.	H	α-helix	trans	-56.5	-44	-176	0	0	0	0	0	114.7	C37 A43 F44 S45	C37-A41 WeakPolarHBondContact O-CB 3.32Å; C37-A41 PolarHBondContact O-N 2.93Å; C37-A41 VanDerWaalsContact O-N 3.15Å; A41-A43 PolarHBondContact O-N 3.18Å; A41-F44 PolarHBondContact O-N 2.94Å; A41-S45 PolarHBondContact O-N 2.64Å
42	P	95.6	Very high	94.1	Very high	91 Å²	91	58.6 Å²	58.6	59%	0.591	34%	0.336	S	S	*	.	H	α-helix	trans	-63.5	-41.6	176.7	-22.1	33.9	0	0	0	112.5	L38 R39 S45 S46	L38-P42 WeakPolarHBondContact O-CD 3.2Å; R39-P42 WeakPolarHBondContact O-CD 3.43Å; P42-S45 PolarHBondContact O-N 3.19Å; P42-S46 PolarHBondContact O-N 2.85Å
43	A	96.2	Very high	93.9	Very high	29 Å²	29	53.8 Å²	53.8	24%	0.24	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-45.3	177.7	0	0	0	0	0	111	I40 A41 S45 S46 M47 A96	I40-A43 PolarHBondContact O-N 3.47Å; A41-A43 PolarHBondContact O-N 3.18Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.1Å; A43-S46 WeakPolarHBondContact O-CB 3.21Å; A43-S46 PolarHBondContact O-N 2.8Å; A43-S46 VanDerWaalsContact O-N 3.1Å; A43-M47 HydrophobicContact CB-CE 4.14Å; A43-M47 VanDerWaalsContact O-CG 3.29Å; A43-M47 WeakPolarHBondContact O-CG 3.45Å; A43-M47 PolarHBondContact O-N 2.82Å; A43-A96 HydrophobicContact CB-CB 3.71Å
44	F	97	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.2	-40.1	176.5	-168.9	-118.2	0	0	0	112.4	V4 V26 K28 I40 A41 M47 S48 F56 F79 L99	V4-F44 HydrophobicContact CB-CD1 4.48Å; V4-F44 HydrophobicContact CB-CE1 4.45Å; V4-F44 HydrophobicContact CG1-CD1 4Å; V4-F44 HydrophobicContact CG1-CE1 3.68Å; V4-F44 HydrophobicContact CG2-CD1 3.61Å; V4-F44 HydrophobicContact CG2-CE1 3.86Å; V26-F44 HydrophobicContact CB-CE2 4.39Å; V26-F44 HydrophobicContact CB-CZ 4.5Å; V26-F44 HydrophobicContact CG1-CE2 3.78Å; V26-F44 HydrophobicContact CG1-CZ 4.2Å; K28-F44 HydrophobicContact CB-CD1 4.14Å; K28-F44 HydrophobicContact CB-CE1 3.59Å; K28-F44 HydrophobicContact CB-CE2 4.4Å; K28-F44 HydrophobicContact CB-CZ 3.73Å; K28-F44 HydrophobicContact CD-CD1 3.92Å; K28-F44 HydrophobicContact CD-CE1 4.25Å; K28-F44 HydrophobicContact CD-CG 4.28Å; I40-F44 PolarHBondContact O-N 3.09Å; A41-F44 PolarHBondContact O-N 2.94Å; F44-M47 PolarHBondContact O-N 3.26Å; F44-S48 PolarHBondContact O-N 2.88Å; F44-F56 HydrophobicContact CD2-CD1 4.02Å; F44-F56 HydrophobicContact CD2-CE1 4.25Å; F44-F56 HydrophobicContact CE1-CB 4.39Å; F44-F56 HydrophobicContact CE1-CD1 4.15Å; F44-F56 AromaticContact CE2-CD1 3.47Å; F44-F56 HydrophobicContact CE2-CD1 3.47Å; F44-F56 VanDerWaalsContact CE2-CD1 3.47Å; F44-F56 AromaticContact CE2-CE1 3.87Å; F44-F56 HydrophobicContact CE2-CE1 3.87Å; F44-F56 HydrophobicContact CZ-CB 4.27Å; F44-F56 AromaticContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CE1 4.39Å; F44-F56 HydrophobicContact CZ-CG 4.38Å; F44-F79 HydrophobicContact CD2-CD1 4.15Å; F44-F79 AromaticContact CD2-CE1 3.65Å; F44-F79 HydrophobicContact CD2-CE1 3.65Å; F44-F79 AromaticContact CE2-CD1 3.81Å; F44-F79 HydrophobicContact CE2-CD1 3.81Å; F44-F79 AromaticContact CE2-CE1 3.76Å; F44-F79 HydrophobicContact CE2-CE1 3.76Å; F44-F79 HydrophobicContact CG-CE1 4.14Å; F44-F79 HydrophobicContact CZ-CD1 4.35Å; F44-F79 HydrophobicContact CZ-CE1 4.34Å; F44-L99 HydrophobicContact CD2-CD2 3.98Å
45	S	95.5	Very high	94.2	Very high	52 Å²	52	50.9 Å²	50.9	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-68.4	-33.7	174	-172.3	0	0	0	0	112.8	A41 P42 A43 S48 N49	A41-S45 PolarHBondContact O-N 2.64Å; P42-S45 PolarHBondContact O-N 3.19Å; A43-S45 VanDerWaalsContact C-N 3.33Å; A43-S45 PolarHBondContact O-N 3.1Å; S45-S48 PolarHBondContact O-OG 3.1Å; S45-S48 VanDerWaalsContact O-OG 3.06Å; S45-N49 PolarHBondContact O-ND2 3.48Å
46	S	95.8	Very high	94.4	Very high	78 Å²	78	49.3 Å²	49.3	55%	0.545	27%	0.272	S	S	.	.	H	α-helix	trans	-65.9	-41.2	172.4	-170.4	0	0	0	0	111.2	P42 A43 S48 N49 K50	P42-S46 PolarHBondContact O-N 2.85Å; A43-S46 WeakPolarHBondContact O-CB 3.21Å; A43-S46 PolarHBondContact O-N 2.8Å; A43-S46 VanDerWaalsContact O-N 3.1Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.81Å; S46-N49 PolarHBondContact O-N 3.4Å; S46-K50 WeakPolarHBondContact O-CB 3.24Å; S46-K50 PolarHBondContact O-N 3.36Å
47	M	96.1	Very high	94.6	Very high	7 Å²	7	47.1 Å²	47.1	3%	0.034	26%	0.257	C	S	.	.	H	α-helix	trans	-62.8	-38.6	176.9	-67.4	168.1	-161.6	0	0	111.9	A43 F44 N49 K50 Y51 F56 A96 L99 E100 I103	A43-M47 HydrophobicContact CB-CE 4.14Å; A43-M47 VanDerWaalsContact O-CG 3.29Å; A43-M47 WeakPolarHBondContact O-CG 3.45Å; A43-M47 PolarHBondContact O-N 2.82Å; F44-M47 PolarHBondContact O-N 3.26Å; M47-N49 PolarHBondContact O-N 2.68Å; M47-K50 PolarHBondContact O-N 2.69Å; M47-K50 VanDerWaalsContact O-N 3.08Å; M47-Y51 HydrophobicContact CB-CD2 4.15Å; M47-Y51 HydrophobicContact CB-CE2 4.37Å; M47-Y51 HydrophobicContact CG-CE2 4.44Å; M47-Y51 VanDerWaalsContact O-CD2 3.27Å; M47-Y51 WeakPolarHBondContact O-CD2 3.41Å; M47-Y51 PolarHBondContact O-N 2.84Å; M47-F56 HydrophobicContact CB-CE1 3.89Å; M47-F56 HydrophobicContact CB-CZ 4.2Å; M47-A96 HydrophobicContact CE-CB 3.99Å; M47-A96 VanDerWaalsContact CE-O 3.23Å; M47-A96 WeakPolarHBondContact CE-O 3.48Å; M47-L99 HydrophobicContact SD-CD2 4.09Å; M47-L99 HydrophobicContact SD-CG 4.27Å; M47-E100 HydrophobicContact CE-CB 3.88Å; M47-E100 HydrophobicContact SD-CB 4.29Å; M47-I103 HydrophobicContact CB-CD1 4.45Å; M47-I103 HydrophobicContact SD-CD1 3.77Å
48	S	95.9	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.8	-33.4	177.6	84.7	0	0	0	0	113.2	V2 F44 S45 S46 F56	V2-S48 CarbonylContact O-C 3.51Å; V2-S48 PolarHBondContact O-OG 3.48Å; F44-S48 PolarHBondContact O-N 2.88Å; S45-S48 PolarHBondContact O-OG 3.1Å; S45-S48 VanDerWaalsContact O-OG 3.06Å; S46-S48 VanDerWaalsContact C-N 3.34Å; S46-S48 PolarHBondContact O-N 2.81Å; S48-F56 VanDerWaalsContact CB-CG 3.44Å
49	N	93.8	Very high	94.9	Very high	71 Å²	71	44 Å²	44	38%	0.38	24%	0.239	S	C	.	.	H	α-helix	trans	-78.4	-32.7	175	-68.6	-68.3	0	0	0	112.2	S45 S46 M47	S45-N49 PolarHBondContact O-ND2 3.48Å; S46-N49 PolarHBondContact O-N 3.4Å; M47-N49 PolarHBondContact O-N 2.68Å
50	K	93.8	Very high	94.9	Very high	116 Å²	116	36.8 Å²	36.8	50%	0.504	21%	0.213	S	C	.	.	H	α-helix	trans	-73.2	-33	179.4	-173.6	174.5	178.5	180	0	112.8	S46 M47 P52 E100	S46-K50 WeakPolarHBondContact O-CB 3.24Å; S46-K50 PolarHBondContact O-N 3.36Å; M47-K50 PolarHBondContact O-N 2.69Å; M47-K50 VanDerWaalsContact O-N 3.08Å; K50-P52 VanDerWaalsContact O-CD 3.22Å; K50-P52 WeakPolarHBondContact O-CD 3.32Å; K50-E100 WeakPolarHBondContact CD-OE1 3.43Å; K50-E100 WeakPolarHBondContact CE-OE1 3.46Å; K50-E100 IonicContact NZ-OE1 2.96Å; K50-E100 PolarHBondContact NZ-OE1 3.23Å
51	Y	93.2	Very high	94.9	Very high	21 Å²	21	37.7 Å²	37.7	8%	0.082	22%	0.219	C	C	.	.			trans	-118.3	66.6	-177	-56	-69.1	0	0	0	111.2	M47 Q53 A54 F56 E100 I103 K104 L107	M47-Y51 HydrophobicContact CB-CD2 4.15Å; M47-Y51 HydrophobicContact CB-CE2 4.37Å; M47-Y51 HydrophobicContact CG-CE2 4.44Å; M47-Y51 VanDerWaalsContact O-CD2 3.27Å; M47-Y51 WeakPolarHBondContact O-CD2 3.41Å; M47-Y51 PolarHBondContact O-N 2.84Å; Y51-Q53 PolarHBondContact O-N 3.28Å; Y51-Q53 VanDerWaalsContact O-N 3.11Å; Y51-A54 PolarHBondContact O-N 3.35Å; Y51-F56 HydrophobicContact CD2-CZ 4.38Å; Y51-E100 HydrophobicContact CE2-CG 4.01Å; Y51-E100 WeakPolarHBondContact OH-CG 3.47Å; Y51-E100 PolarHBondContact OH-OE1 2.77Å; Y51-I103 HydrophobicContact CD2-CG2 3.87Å; Y51-I103 HydrophobicContact CE2-CG2 4.17Å; Y51-I103 HydrophobicContact CG-CG2 4.15Å; Y51-K104 HydrophobicContact CE1-CG 4.32Å; Y51-K104 WeakPolarHBondContact OH-CE 3.45Å; Y51-L107 HydrophobicContact CD1-CD1 3.37Å; Y51-L107 HydrophobicContact CE1-CD1 4.08Å; Y51-L107 HydrophobicContact CG-CD1 3.69Å
52	P	90.3	Very high	94.8	Very high	72 Å²	72	41.4 Å²	41.4	47%	0.468	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.9	-175.9	29.5	-37.4	0	0	0	114	V2 K50 A54	V2-P52 HydrophobicContact CG2-CB 4.14Å; K50-P52 VanDerWaalsContact O-CD 3.22Å; K50-P52 WeakPolarHBondContact O-CD 3.32Å; P52-A54 VanDerWaalsContact C-N 3.31Å
53	Q	86.1	Confident	94.7	Very high	93 Å²	93	41.6 Å²	41.6	44%	0.435	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-21	173.6	70.4	-87.4	43.6	0	0	113.2	R23 Y51 L107	R23-Q53 WeakPolarHBondContact CD-O 3.29Å; Y51-Q53 PolarHBondContact O-N 3.28Å; Y51-Q53 VanDerWaalsContact O-N 3.11Å; Q53-L107 HydrophobicContact CG-CD2 3.62Å
54	A	92.3	Very high	94.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-97.4	154.3	174.6	0	0	0	0	0	111.8	L24 Y51 P52 F56 L107	L24-A54 HydrophobicContact CB-CB 4.16Å; L24-A54 HydrophobicContact CD2-CB 4.47Å; L24-A54 CarbonylContact O-C 3.49Å; L24-A54 VanDerWaalsContact O-CA 3.29Å; L24-A54 WeakPolarHBondContact O-CA 3.27Å; L24-A54 WeakPolarHBondContact O-CB 3.47Å; Y51-A54 PolarHBondContact O-N 3.35Å; P52-A54 VanDerWaalsContact C-N 3.31Å; A54-F56 HydrophobicContact CB-CD2 4.32Å; A54-F56 HydrophobicContact CB-CE2 3.66Å; A54-F56 HydrophobicContact CB-CZ 4.37Å; A54-L107 HydrophobicContact CB-CD2 4.1Å
55	V	94.9	Very high	94.4	Very high	22 Å²	22	46.4 Å²	46.4	13%	0.133	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.3	175.3	177.7	0	0	0	0	109.3	A20 L24 A25 V26 L57	A20-V55 HydrophobicContact CB-CB 4.09Å; A20-V55 HydrophobicContact CB-CG1 4.42Å; A20-V55 HydrophobicContact CB-CG2 3.9Å; L24-V55 PolarHBondContact O-N 3.5Å; A25-V55 CarbonylContact C-O 3.56Å; A25-V55 VanDerWaalsContact CA-O 3.28Å; A25-V55 WeakPolarHBondContact CA-O 3.24Å; A25-V55 HydrophobicContact CB-CB 4.34Å; V26-V55 PolarHBondContact N-O 3.49Å; V55-L57 HydrophobicContact CG1-CD2 3.85Å; V55-L57 HydrophobicContact CG1-CG 4.06Å
56	F	97.4	Very high	94.2	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.3	-179.6	-71.8	-106.8	0	0	0	109.7	V4 K5 V26 F44 M47 S48 Y51 A54 I103	V4-F56 HydrophobicContact CG2-CB 4.18Å; K5-F56 PolarHBondContact N-O 2.84Å; V26-F56 HydrophobicContact CB-CD1 4.33Å; V26-F56 HydrophobicContact CB-CE1 4.36Å; V26-F56 HydrophobicContact CG2-CE1 4.43Å; F44-F56 HydrophobicContact CD2-CD1 4.02Å; F44-F56 HydrophobicContact CD2-CE1 4.25Å; F44-F56 HydrophobicContact CE1-CB 4.39Å; F44-F56 HydrophobicContact CE1-CD1 4.15Å; F44-F56 AromaticContact CE2-CD1 3.47Å; F44-F56 HydrophobicContact CE2-CD1 3.47Å; F44-F56 VanDerWaalsContact CE2-CD1 3.47Å; F44-F56 AromaticContact CE2-CE1 3.87Å; F44-F56 HydrophobicContact CE2-CE1 3.87Å; F44-F56 HydrophobicContact CZ-CB 4.27Å; F44-F56 AromaticContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CD1 3.55Å; F44-F56 HydrophobicContact CZ-CE1 4.39Å; F44-F56 HydrophobicContact CZ-CG 4.38Å; M47-F56 HydrophobicContact CB-CE1 3.89Å; M47-F56 HydrophobicContact CB-CZ 4.2Å; S48-F56 VanDerWaalsContact CB-CG 3.44Å; Y51-F56 HydrophobicContact CD2-CZ 4.38Å; A54-F56 HydrophobicContact CB-CD2 4.32Å; A54-F56 HydrophobicContact CB-CE2 3.66Å; A54-F56 HydrophobicContact CB-CZ 4.37Å; F56-I103 HydrophobicContact CE1-CD1 3.95Å; F56-I103 HydrophobicContact CZ-CD1 4.25Å
57	L	97.6	Very high	94	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.4	-179.7	-57.2	-179.5	0	0	0	110.5	K5 V7 E16 L17 V26 V27 K28 V55	K5-L57 HydrophobicContact CB-CD2 3.96Å; K5-L57 HydrophobicContact CG-CD2 4.5Å; K5-L57 CarbonylContact O-C 3.57Å; K5-L57 WeakPolarHBondContact O-CA 3.43Å; V7-L57 HydrophobicContact CG2-CB 4.24Å; V7-L57 HydrophobicContact CG2-CD1 4.48Å; E16-L57 HydrophobicContact CB-CD1 3.79Å; E16-L57 HydrophobicContact CB-CD2 4.17Å; L17-L57 HydrophobicContact CD2-CD1 4.22Å; V26-L57 PolarHBondContact O-N 3.19Å; V27-L57 HydrophobicContact CB-CB 4.49Å; V27-L57 HydrophobicContact CG1-CB 4.32Å; V27-L57 HydrophobicContact CG2-CB 4.17Å; V27-L57 HydrophobicContact CG2-CD1 4.1Å; K28-L57 PolarHBondContact N-O 2.83Å; V55-L57 HydrophobicContact CG1-CD2 3.85Å; V55-L57 HydrophobicContact CG1-CG 4.06Å
58	E	97.2	Very high	93.8	Very high	64 Å²	64	42.4 Å²	42.4	30%	0.299	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.3	171.1	-178.4	173.4	120.4	0	0	110	V4 K5 V7 K28 T30	V4-E58 HydrophobicContact CG1-CB 3.66Å; K5-E58 PolarHBondContact O-N 2.97Å; V7-E58 PolarHBondContact N-O 3.3Å; K28-E58 WeakPolarHBondContact CE-OE2 3.41Å; K28-E58 IonicContact NZ-OE2 2.63Å; K28-E58 PolarHBondContact NZ-OE2 2.79Å; K28-E58 WeakPolarHBondContact O-CA 3.35Å; T30-E58 HydrophobicContact CG2-CG 3.68Å
59	V	97.4	Very high	93.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119	-179.2	-179.5	0	0	0	0	108.6	V7 F13 V27 K28 F29 T30 C64	V7-V59 HydrophobicContact CB-CG2 3.89Å; V7-V59 HydrophobicContact CG1-CG2 4.44Å; V7-V59 HydrophobicContact CG2-CG2 3.8Å; F13-V59 HydrophobicContact CD2-CG2 4.07Å; F13-V59 HydrophobicContact CE2-CG2 4.11Å; V27-V59 HydrophobicContact CG1-CB 4.42Å; V27-V59 HydrophobicContact CG1-CG2 3.53Å; K28-V59 PolarHBondContact O-N 3.5Å; F29-V59 CarbonylContact C-O 3.58Å; F29-V59 WeakPolarHBondContact CA-O 3.05Å; F29-V59 HydrophobicContact CD1-CB 3.85Å; F29-V59 HydrophobicContact CD1-CG1 3.79Å; F29-V59 HydrophobicContact CE1-CB 3.94Å; F29-V59 HydrophobicContact CE1-CG1 3.68Å; F29-V59 HydrophobicContact CE1-CG2 4.33Å; F29-V59 HydrophobicContact CG-CB 4.43Å; F29-V59 HydrophobicContact CZ-CG2 4.5Å; T30-V59 PolarHBondContact N-O 2.76Å; V59-C64 HydrophobicContact CG1-CB 3.57Å
60	D	96.4	Very high	93.1	Very high	19 Å²	19	44.4 Å²	44.4	10%	0.102	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	120.9	170.5	-174.6	-57.3	0	0	0	109.5	T30 H62 Q63 C64	T30-D60 WeakPolarHBondContact O-CA 3.48Å; D60-H62 PolarHBondContact O-N 2.68Å; D60-H62 WeakPolarHBondContact OD1-CA 3.5Å; D60-H62 WeakPolarHBondContact OD1-CB 3.25Å; D60-H62 IonicContact OD1-CD2 2.9Å; D60-H62 IonicContact OD1-CG 2.72Å; D60-H62 PolarHBondContact OD1-N 2.85Å; D60-Q63 HydrophobicContact CB-CB 4.12Å; D60-Q63 HydrophobicContact CB-CG 3.99Å; D60-Q63 PolarHBondContact O-N 2.78Å; D60-Q63 VanDerWaalsContact O-N 3.12Å; D60-Q63 PolarHBondContact OD1-N 2.83Å; D60-C64 PolarHBondContact O-N 2.91Å
61	V	95.6	Very high	92.8	Very high	22 Å²	22	39 Å²	39	13%	0.133	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.5	-175.5	-59.7	0	0	0	0	113.7	F29 T30 M31 Q65 A68 I73 T76	F29-V61 HydrophobicContact CB-CG1 4.08Å; F29-V61 HydrophobicContact CD1-CG1 4.13Å; T30-V61 WeakPolarHBondContact O-CG2 3.28Å; T30-V61 PolarHBondContact O-N 2.93Å; M31-V61 HydrophobicContact CB-CG2 3.74Å; V61-Q65 WeakPolarHBondContact O-CA 3.31Å; V61-Q65 WeakPolarHBondContact O-CG 3.36Å; V61-A68 HydrophobicContact CB-CB 3.93Å; V61-A68 HydrophobicContact CG1-CB 3.94Å; V61-I73 HydrophobicContact CG1-CG2 4.03Å; V61-T76 HydrophobicContact CG1-CG2 3.85Å; V61-T76 HydrophobicContact CG2-CG2 4.29Å
62	H	92.9	Very high	92.6	Very high	110 Å²	110	43.3 Å²	43.3	51%	0.509	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-28.1	175.3	-63.1	-56.8	0	0	0	112.4	D60 Q65	D60-H62 PolarHBondContact O-N 2.68Å; D60-H62 WeakPolarHBondContact OD1-CA 3.5Å; D60-H62 WeakPolarHBondContact OD1-CB 3.25Å; D60-H62 IonicContact OD1-CD2 2.9Å; D60-H62 IonicContact OD1-CG 2.72Å; D60-H62 PolarHBondContact OD1-N 2.85Å; H62-Q65 WeakPolarHBondContact O-CG 3.43Å; H62-Q65 PolarHBondContact O-NE2 2.85Å
63	Q	93.8	Very high	92.8	Very high	96 Å²	96	41.3 Å²	41.3	45%	0.449	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-37.8	175.7	-62.7	-176.8	-1.4	0	0	111.9	D60	D60-Q63 HydrophobicContact CB-CB 4.12Å; D60-Q63 HydrophobicContact CB-CG 3.99Å; D60-Q63 PolarHBondContact O-N 2.78Å; D60-Q63 VanDerWaalsContact O-N 3.12Å; D60-Q63 PolarHBondContact OD1-N 2.83Å
64	C	93.5	Very high	92.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.241	C	C	.	.	S	Bend	trans	-115.9	60.5	-177.3	-56.4	0	0	0	0	110.7	S9 D10 V59 D60 G66 T67 A68	S9-C64 VanDerWaalsContact CA-SG 3.59Å; D10-C64 WeakPolarHBondContact OD1-CA 3.08Å; D10-C64 WeakPolarHBondContact OD1-CB 3.29Å; V59-C64 HydrophobicContact CG1-CB 3.57Å; D60-C64 PolarHBondContact O-N 2.91Å; C64-G66 VanDerWaalsContact C-N 3.34Å; C64-G66 PolarHBondContact O-N 2.76Å; C64-T67 PolarHBondContact O-N 2.82Å; C64-A68 WeakPolarHBondContact O-CB 3.45Å; C64-A68 PolarHBondContact O-N 2.9Å
65	Q	93.2	Very high	93	Very high	130 Å²	130	43.5 Å²	43.5	61%	0.607	26%	0.255	S	S	*	.	H	α-helix	trans	-64.3	-39	-174.1	-67.7	175.9	32.9	0	0	112	D10 V61 H62 T67 A68 A69	D10-Q65 PolarHBondContact OD2-N 2.92Å; V61-Q65 WeakPolarHBondContact O-CA 3.31Å; V61-Q65 WeakPolarHBondContact O-CG 3.36Å; H62-Q65 WeakPolarHBondContact O-CG 3.43Å; H62-Q65 PolarHBondContact O-NE2 2.85Å; Q65-T67 VanDerWaalsContact C-N 3.33Å; Q65-T67 PolarHBondContact O-N 3.32Å; Q65-A68 PolarHBondContact O-N 2.9Å; Q65-A69 VanDerWaalsContact O-CB 3.31Å; Q65-A69 WeakPolarHBondContact O-CB 3.38Å; Q65-A69 PolarHBondContact O-N 3.41Å
66	G	90.5	Very high	93	Very high	36 Å²	36	43.7 Å²	43.7	37%	0.371	26%	0.256	S	S	.	.	H	α-helix	trans	-64.3	-41.6	178.6	0	0	0	0	0	111.5	D10 C64 T70	D10-G66 PolarHBondContact OD1-N 3.14Å; D10-G66 PolarHBondContact OD2-N 2.99Å; C64-G66 VanDerWaalsContact C-N 3.34Å; C64-G66 PolarHBondContact O-N 2.76Å; G66-T70 WeakPolarHBondContact O-CB 3.32Å; G66-T70 PolarHBondContact O-N 3.29Å; G66-T70 PolarHBondContact O-OG1 3.04Å
67	T	92.7	Very high	93	Very high	10 Å²	10	43.7 Å²	43.7	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-45.7	177.6	-57.9	0	0	0	0	110.6	D10 F13 F29 C64 Q65 T70 N71	D10-T67 WeakPolarHBondContact OD1-CB 3.3Å; D10-T67 PolarHBondContact OD1-N 3.37Å; D10-T67 PolarHBondContact OD1-OG1 3.23Å; F13-T67 HydrophobicContact CB-CG2 4.07Å; F13-T67 HydrophobicContact CD1-CG2 3.39Å; F13-T67 HydrophobicContact CD2-CG2 3.91Å; F13-T67 HydrophobicContact CE1-CG2 3.66Å; F13-T67 HydrophobicContact CE2-CG2 4.18Å; F13-T67 HydrophobicContact CG-CG2 3.51Å; F13-T67 HydrophobicContact CZ-CG2 4.05Å; F29-T67 HydrophobicContact CE1-CG2 4.02Å; F29-T67 HydrophobicContact CZ-CG2 4.18Å; C64-T67 PolarHBondContact O-N 2.82Å; Q65-T67 VanDerWaalsContact C-N 3.33Å; Q65-T67 PolarHBondContact O-N 3.32Å; T67-T70 PolarHBondContact O-N 2.69Å; T67-N71 WeakPolarHBondContact O-CB 3.43Å; T67-N71 PolarHBondContact O-N 2.59Å; T67-N71 PolarHBondContact O-ND2 2.99Å
68	A	92	Very high	93	Very high	7 Å²	7	43.7 Å²	43.7	6%	0.058	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-46.5	177.6	0	0	0	0	0	111.8	F29 V61 C64 Q65 N71 N72 I73	F29-A68 HydrophobicContact CD1-CB 4.48Å; V61-A68 HydrophobicContact CB-CB 3.93Å; V61-A68 HydrophobicContact CG1-CB 3.94Å; C64-A68 WeakPolarHBondContact O-CB 3.45Å; C64-A68 PolarHBondContact O-N 2.9Å; Q65-A68 PolarHBondContact O-N 2.9Å; A68-N71 PolarHBondContact O-N 3.47Å; A68-N72 PolarHBondContact O-N 3.28Å; A68-I73 HydrophobicContact CB-CB 4.31Å; A68-I73 HydrophobicContact CB-CG1 4.46Å; A68-I73 WeakPolarHBondContact O-CG1 3.3Å; A68-I73 PolarHBondContact O-N 3.29Å
69	A	89.2	Confident	93	Very high	69 Å²	69	40.7 Å²	40.7	57%	0.57	24%	0.242	S	C	*	.	H	α-helix	trans	-61	-48.2	176.5	0	0	0	0	0	111.7	Q65 N71 N72	Q65-A69 VanDerWaalsContact O-CB 3.31Å; Q65-A69 WeakPolarHBondContact O-CB 3.38Å; Q65-A69 PolarHBondContact O-N 3.41Å; A69-N71 VanDerWaalsContact C-N 3.26Å; A69-N71 PolarHBondContact O-N 3.17Å; A69-N72 PolarHBondContact O-N 2.75Å
70	T	84.6	Confident	92.9	Very high	44 Å²	44	40.7 Å²	40.7	27%	0.27	24%	0.242	S	C	.	.	H	α-helix	trans	-57.7	-39.1	178.3	-65.1	0	0	0	0	113	G66 T67 N72 T273 F278	G66-T70 WeakPolarHBondContact O-CB 3.32Å; G66-T70 PolarHBondContact O-N 3.29Å; G66-T70 PolarHBondContact O-OG1 3.04Å; T67-T70 PolarHBondContact O-N 2.69Å; T70-N72 PolarHBondContact O-N 3.22Å; T70-T273 HydrophobicContact CG2-CG2 4.34Å; T70-F278 HydrophobicContact CG2-CD1 4.47Å; T70-F278 HydrophobicContact CG2-CE1 3.26Å; T70-F278 HydrophobicContact CG2-CE2 4.4Å; T70-F278 HydrophobicContact CG2-CZ 3.21Å
71	N	88.5	Confident	92.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	9	-179.5	-76.5	-76.4	0	0	0	113	F29 T67 A68 A69 I73 L80 F82	F29-N71 HydrophobicContact CZ-CB 4.04Å; T67-N71 WeakPolarHBondContact O-CB 3.43Å; T67-N71 PolarHBondContact O-N 2.59Å; T67-N71 PolarHBondContact O-ND2 2.99Å; A68-N71 PolarHBondContact O-N 3.47Å; A69-N71 VanDerWaalsContact C-N 3.26Å; A69-N71 PolarHBondContact O-N 3.17Å; N71-I73 VanDerWaalsContact C-N 3.27Å; N71-I73 HydrophobicContact CB-CD1 4.19Å; N71-I73 HydrophobicContact CB-CG1 4.02Å; N71-I73 PolarHBondContact O-N 3.12Å; N71-L80 HydrophobicContact CB-CD1 3.64Å; N71-F82 WeakPolarHBondContact OD1-CZ 3.19Å
72	N	89.6	Confident	92.7	Very high	113 Å²	113	38.9 Å²	38.9	60%	0.604	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	40.2	-179.8	-59.7	-63.8	0	0	0	113.2	A68 A69 T70 S74	A68-N72 PolarHBondContact O-N 3.28Å; A69-N72 PolarHBondContact O-N 2.75Å; T70-N72 PolarHBondContact O-N 3.22Å; N72-S74 PolarHBondContact O-N 3.08Å
73	I	92.8	Very high	92.3	Very high	29 Å²	29	33.9 Å²	33.9	15%	0.149	21%	0.208	C	C	.	.			trans	-76.3	110	179.6	-55.2	-59.9	0	0	0	109.7	F29 V61 A68 N71 T78 L80	F29-I73 HydrophobicContact CB-CD1 4.27Å; F29-I73 HydrophobicContact CB-CG1 4.3Å; F29-I73 HydrophobicContact CB-CG2 4.02Å; F29-I73 HydrophobicContact CD1-CD1 4.19Å; F29-I73 HydrophobicContact CD1-CG1 3.67Å; F29-I73 HydrophobicContact CD2-CD1 3.6Å; F29-I73 HydrophobicContact CD2-CG1 4.04Å; F29-I73 HydrophobicContact CE1-CD1 4.43Å; F29-I73 HydrophobicContact CE1-CG1 3.9Å; F29-I73 HydrophobicContact CE2-CD1 3.92Å; F29-I73 HydrophobicContact CE2-CG1 4.29Å; F29-I73 HydrophobicContact CG-CD1 3.74Å; F29-I73 HydrophobicContact CG-CG1 3.72Å; F29-I73 HydrophobicContact CG-CG2 4.36Å; F29-I73 HydrophobicContact CZ-CD1 4.31Å; F29-I73 HydrophobicContact CZ-CG1 4.2Å; V61-I73 HydrophobicContact CG1-CG2 4.03Å; A68-I73 HydrophobicContact CB-CB 4.31Å; A68-I73 HydrophobicContact CB-CG1 4.46Å; A68-I73 WeakPolarHBondContact O-CG1 3.3Å; A68-I73 PolarHBondContact O-N 3.29Å; N71-I73 VanDerWaalsContact C-N 3.27Å; N71-I73 HydrophobicContact CB-CD1 4.19Å; N71-I73 HydrophobicContact CB-CG1 4.02Å; N71-I73 PolarHBondContact O-N 3.12Å; I73-T78 HydrophobicContact CD1-CG2 3.81Å; I73-L80 HydrophobicContact CD1-CD1 3.88Å; I73-L80 HydrophobicContact CD1-CD2 4.36Å; I73-L80 HydrophobicContact CD1-CG 4.1Å
74	S	89.5	Confident	91.7	Very high	105 Å²	105	31.4 Å²	31.4	73%	0.734	20%	0.198	S	C	*	.			trans	-103.5	-15	-179.7	58.4	0	0	0	0	113.9	N72	N72-S74 PolarHBondContact O-N 3.08Å
75	A	93.1	Very high	91.3	Very high	34 Å²	34	36.2 Å²	36.2	28%	0.281	22%	0.219	S	C	.	.	S	Bend	trans	-151.6	159.6	-179.7	0	0	0	0	0	111.5	T78	A75-T78 WeakPolarHBondContact O-CB 3.46Å; A75-T78 PolarHBondContact O-OG1 3.44Å
76	T	95.3	Very high	90.8	Very high	26 Å²	26	30.9 Å²	30.9	16%	0.16	20%	0.195	C	C	.	.	S	Bend	trans	-127.4	145.5	174.8	59	0	0	0	0	111	M31 V61	M31-T76 HydrophobicContact CB-CG2 4.43Å; M31-T76 HydrophobicContact CG-CG2 4.47Å; M31-T76 VanDerWaalsContact CG-OG1 3.3Å; M31-T76 WeakPolarHBondContact CG-OG1 3.43Å; M31-T76 PolarHBondContact SD-OG1 2.83Å; M31-T76 VanDerWaalsContact SD-OG1 3.36Å; V61-T76 HydrophobicContact CG1-CG2 3.85Å; V61-T76 HydrophobicContact CG2-CG2 4.29Å
77	P	97	Very high	90.7	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.013	19%	0.191	C	C	.	.	S	Bend	cis	-75.3	139	-5.1	32.1	-34.5	0	0	0	111.7	F29 I40 F79 G93 A94	F29-P77 WeakPolarHBondContact O-CA 3.43Å; I40-P77 HydrophobicContact CG2-CB 4.21Å; I40-P77 HydrophobicContact CG2-CG 3.95Å; P77-F79 HydrophobicContact CB-CE2 3.82Å; P77-F79 HydrophobicContact CB-CZ 4.09Å; P77-F79 HydrophobicContact CG-CE2 4.16Å; P77-G93 PolarHBondContact O-N 3.32Å; P77-A94 HydrophobicContact CG-CB 4.05Å
78	T	97.6	Very high	90.4	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.2	168.6	-67.3	0	0	0	0	108	F29 I73 A75 L80 Q90 Y91	F29-T78 PolarHBondContact N-O 2.73Å; F29-T78 PolarHBondContact O-N 3.42Å; I73-T78 HydrophobicContact CD1-CG2 3.81Å; A75-T78 WeakPolarHBondContact O-CB 3.46Å; A75-T78 PolarHBondContact O-OG1 3.44Å; T78-L80 HydrophobicContact CG2-CD2 3.94Å; T78-Q90 HydrophobicContact CG2-CG 4.05Å; T78-Y91 CarbonylContact C-O 3.53Å
79	F	97.8	Very high	90.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123	-179.7	-58.3	-96.2	0	0	0	108.2	V27 K28 I40 F44 P77 F81 Q90 Y91 G93 L99	V27-F79 CarbonylContact O-C 3.59Å; V27-F79 VanDerWaalsContact O-CA 3.3Å; V27-F79 WeakPolarHBondContact O-CA 3.43Å; K28-F79 HydrophobicContact CB-CD1 3.78Å; K28-F79 HydrophobicContact CB-CE1 3.64Å; K28-F79 HydrophobicContact CD-CE1 3.64Å; K28-F79 HydrophobicContact CD-CZ 3.91Å; K28-F79 HydrophobicContact CG-CD1 3.96Å; K28-F79 HydrophobicContact CG-CE1 3.43Å; K28-F79 VanDerWaalsContact CG-CE1 3.43Å; K28-F79 HydrophobicContact CG-CZ 3.85Å; I40-F79 HydrophobicContact CD1-CE2 3.83Å; I40-F79 HydrophobicContact CD1-CZ 3.6Å; I40-F79 HydrophobicContact CG1-CZ 4Å; I40-F79 HydrophobicContact CG2-CZ 3.93Å; F44-F79 HydrophobicContact CD2-CD1 4.15Å; F44-F79 AromaticContact CD2-CE1 3.65Å; F44-F79 HydrophobicContact CD2-CE1 3.65Å; F44-F79 AromaticContact CE2-CD1 3.81Å; F44-F79 HydrophobicContact CE2-CD1 3.81Å; F44-F79 AromaticContact CE2-CE1 3.76Å; F44-F79 HydrophobicContact CE2-CE1 3.76Å; F44-F79 HydrophobicContact CG-CE1 4.14Å; F44-F79 HydrophobicContact CZ-CD1 4.35Å; F44-F79 HydrophobicContact CZ-CE1 4.34Å; P77-F79 HydrophobicContact CB-CE2 3.82Å; P77-F79 HydrophobicContact CB-CZ 4.09Å; P77-F79 HydrophobicContact CG-CE2 4.16Å; F79-F81 HydrophobicContact CB-CE2 4.34Å; F79-Q90 CarbonylContact O-C 3.55Å; F79-Q90 WeakPolarHBondContact O-CA 3.2Å; F79-Y91 AromaticContact CD2-CD1 3.94Å; F79-Y91 HydrophobicContact CD2-CD1 3.94Å; F79-Y91 PolarHBondContact N-O 2.78Å; F79-Y91 PolarHBondContact O-N 2.82Å; F79-G93 WeakPolarHBondContact CE2-O 3.43Å; F79-L99 HydrophobicContact CB-CD1 3.87Å; F79-L99 HydrophobicContact CD1-CD1 3.83Å; F79-L99 HydrophobicContact CD1-CD2 3.75Å; F79-L99 HydrophobicContact CD1-CG 4.48Å; F79-L99 HydrophobicContact CD2-CD1 4.03Å; F79-L99 HydrophobicContact CD2-CD2 4.3Å; F79-L99 HydrophobicContact CE1-CD1 4.36Å; F79-L99 HydrophobicContact CE1-CD2 3.43Å; F79-L99 VanDerWaalsContact CE1-CD2 3.43Å; F79-L99 HydrophobicContact CE2-CD2 4.03Å; F79-L99 HydrophobicContact CG-CD1 3.63Å; F79-L99 HydrophobicContact CG-CD2 4.17Å; F79-L99 HydrophobicContact CZ-CD2 3.6Å
80	L	96.4	Very high	90.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	136	173.8	-61.6	-165.9	0	0	0	109.3	V27 F29 N71 I73 T78 F82 Q90	V27-L80 PolarHBondContact N-O 2.85Å; V27-L80 PolarHBondContact O-N 2.94Å; F29-L80 HydrophobicContact CD2-CD1 4.32Å; F29-L80 HydrophobicContact CD2-CG 4.08Å; F29-L80 HydrophobicContact CE2-CB 4.19Å; F29-L80 HydrophobicContact CE2-CD1 3.62Å; F29-L80 HydrophobicContact CE2-CG 3.75Å; F29-L80 HydrophobicContact CZ-CD1 4.27Å; N71-L80 HydrophobicContact CB-CD1 3.64Å; I73-L80 HydrophobicContact CD1-CD1 3.88Å; I73-L80 HydrophobicContact CD1-CD2 4.36Å; I73-L80 HydrophobicContact CD1-CG 4.1Å; T78-L80 HydrophobicContact CG2-CD2 3.94Å; L80-F82 HydrophobicContact CB-CD2 4.15Å; L80-F82 HydrophobicContact CB-CE2 3.41Å; L80-F82 VanDerWaalsContact CB-CE2 3.41Å; L80-F82 HydrophobicContact CB-CZ 4.04Å; L80-F82 HydrophobicContact CD1-CE2 4.17Å; L80-F82 HydrophobicContact CD1-CZ 4.01Å; L80-F82 HydrophobicContact CG-CE2 4.44Å; L80-Q90 HydrophobicContact CD2-CB 3.71Å; L80-Q90 HydrophobicContact CD2-CG 3.57Å
81	F	94.4	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.1	178.8	-61.1	-103.6	0	0	0	107.9	L24 A25 V26 F79 R87 I88 D89 L99 K102 I103 H106	L24-F81 HydrophobicContact CD1-CB 4.25Å; L24-F81 HydrophobicContact CD1-CD1 4.21Å; L24-F81 HydrophobicContact CD2-CD1 4.45Å; A25-F81 WeakPolarHBondContact O-CA 3.36Å; V26-F81 HydrophobicContact CG1-CD1 4.35Å; V26-F81 HydrophobicContact CG1-CE1 4.09Å; V26-F81 HydrophobicContact CG1-CZ 4.42Å; V26-F81 HydrophobicContact CG2-CD1 4.08Å; V26-F81 HydrophobicContact CG2-CE1 4.19Å; F79-F81 HydrophobicContact CB-CE2 4.34Å; F81-R87 CarbonylContact O-C 3.6Å; F81-R87 WeakPolarHBondContact O-CA 3.42Å; F81-I88 HydrophobicContact CB-CD1 4.4Å; F81-I88 HydrophobicContact CB-CG1 3.79Å; F81-I88 WeakPolarHBondContact O-CG1 3.3Å; F81-I88 PolarHBondContact O-N 3.02Å; F81-D89 HydrophobicContact CB-CB 3.95Å; F81-D89 HydrophobicContact CD2-CB 3.87Å; F81-D89 HydrophobicContact CG-CB 4.09Å; F81-D89 PolarHBondContact N-O 3.39Å; F81-D89 PolarHBondContact O-N 2.91Å; F81-L99 HydrophobicContact CZ-CD1 3.89Å; F81-K102 HydrophobicContact CE1-CB 4.19Å; F81-K102 HydrophobicContact CE2-CB 4.38Å; F81-K102 HydrophobicContact CE2-CD 4.27Å; F81-K102 HydrophobicContact CZ-CB 3.7Å; F81-K102 HydrophobicContact CZ-CD 4.39Å; F81-I103 HydrophobicContact CE1-CG1 3.75Å; F81-I103 HydrophobicContact CZ-CG1 4.32Å; F81-H106 AromaticContact CD1-CD2 3.87Å
82	F	91.7	Very high	91.2	Very high	3 Å²	3	39 Å²	39	1%	0.013	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	144.7	178.7	-65.3	-96.1	0	0	0	110.9	F13 L17 A25 V27 N71 L80 V86 R87	F13-F82 HydrophobicContact CZ-CE2 4.11Å; F13-F82 HydrophobicContact CZ-CZ 4.05Å; L17-F82 HydrophobicContact CD1-CD1 4.19Å; L17-F82 HydrophobicContact CD1-CE1 4.27Å; L17-F82 HydrophobicContact CD1-CG 4.42Å; L17-F82 HydrophobicContact CD2-CB 3.91Å; L17-F82 HydrophobicContact CD2-CD1 4.43Å; L17-F82 HydrophobicContact CD2-CD2 3.95Å; L17-F82 HydrophobicContact CD2-CG 3.86Å; A25-F82 HydrophobicContact CB-CB 4.23Å; A25-F82 PolarHBondContact N-O 3.27Å; A25-F82 PolarHBondContact O-N 2.85Å; V27-F82 HydrophobicContact CB-CD2 4.4Å; V27-F82 HydrophobicContact CB-CE2 4.16Å; V27-F82 HydrophobicContact CG2-CD2 3.61Å; V27-F82 HydrophobicContact CG2-CE2 3.71Å; N71-F82 WeakPolarHBondContact OD1-CZ 3.19Å; L80-F82 HydrophobicContact CB-CD2 4.15Å; L80-F82 HydrophobicContact CB-CE2 3.41Å; L80-F82 VanDerWaalsContact CB-CE2 3.41Å; L80-F82 HydrophobicContact CB-CZ 4.04Å; L80-F82 HydrophobicContact CD1-CE2 4.17Å; L80-F82 HydrophobicContact CD1-CZ 4.01Å; L80-F82 HydrophobicContact CG-CE2 4.44Å; F82-V86 CarbonylContact C-O 3.59Å; F82-V86 WeakPolarHBondContact CA-O 3.38Å; F82-R87 HydrophobicContact CD1-CB 4.03Å; F82-R87 HydrophobicContact CE1-CB 3.73Å; F82-R87 HydrophobicContact CE1-CG 4.38Å; F82-R87 HydrophobicContact CZ-CB 4.31Å; F82-R87 HydrophobicContact CZ-CG 4.5Å
83	R	84.6	Confident	91.3	Very high	6 Å²	6	35 Å²	35	2%	0.023	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	134.6	166.5	-178.3	168.3	-71.4	148.4	3.1	108.4	S22 K85 V86 I88 H106 N109 D110 M124	S22-R83 WeakPolarHBondContact O-CG 3.41Å; S22-R83 PolarHBondContact O-NE 3.48Å; R83-K85 PolarHBondContact O-N 2.82Å; R83-K85 VanDerWaalsContact O-N 3.1Å; R83-V86 PolarHBondContact N-O 3.03Å; R83-V86 WeakPolarHBondContact O-CB 3.1Å; R83-V86 PolarHBondContact O-N 3.48Å; R83-I88 HydrophobicContact CB-CD1 4.13Å; R83-I88 HydrophobicContact CB-CG2 4.08Å; R83-H106 PolarHBondContact NH2-O 3.05Å; R83-N109 PolarHBondContact NH1-O 2.9Å; R83-D110 IonicContact CZ-OD2 3.04Å; R83-D110 VanDerWaalsContact NH2-CA 3.29Å; R83-D110 IonicContact NH2-OD1 2.85Å; R83-D110 IonicContact NH2-OD2 2.68Å; R83-D110 PolarHBondContact NH2-OD2 3.49Å; R83-M124 HydrophobicContact CB-CE 4Å; R83-M124 HydrophobicContact CG-CE 4.16Å
84	N	80.9	Confident	91.4	Very high	43 Å²	43	35.3 Å²	35.3	23%	0.23	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	36.7	-175.6	-72.1	-34.9	0	0	0	113.3	G21 S22 V86 D116 M124	G21-N84 PolarHBondContact O-N 3.38Å; G21-N84 PolarHBondContact O-OD1 2.76Å; S22-N84 VanDerWaalsContact CA-OD1 3.32Å; S22-N84 WeakPolarHBondContact CA-OD1 3.4Å; N84-V86 PolarHBondContact O-N 3.31Å; N84-D116 PolarHBondContact ND2-OD2 3.01Å; N84-M124 HydrophobicContact CB-CB 4.36Å
85	K	85.8	Confident	91.6	Very high	101 Å²	101	34 Å²	34	44%	0.439	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	6.4	-176	-52	169.6	-72.6	-179.8	0	115.3	L17 R83	L17-K85 HydrophobicContact CB-CG 4.36Å; R83-K85 PolarHBondContact O-N 2.82Å; R83-K85 VanDerWaalsContact O-N 3.1Å
86	V	82.9	Confident	91.7	Very high	19 Å²	19	33.8 Å²	33.8	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.6	175.5	179	0	0	0	0	108.8	F82 R83 N84 I88 M124 F129 P269	F82-V86 CarbonylContact C-O 3.59Å; F82-V86 WeakPolarHBondContact CA-O 3.38Å; R83-V86 PolarHBondContact N-O 3.03Å; R83-V86 WeakPolarHBondContact O-CB 3.1Å; R83-V86 PolarHBondContact O-N 3.48Å; N84-V86 PolarHBondContact O-N 3.31Å; V86-I88 PolarHBondContact O-N 3.32Å; V86-M124 HydrophobicContact CB-CE 4.42Å; V86-M124 HydrophobicContact CB-SD 3.75Å; V86-M124 HydrophobicContact CG1-SD 3.99Å; V86-M124 HydrophobicContact CG2-SD 3.84Å; V86-F129 HydrophobicContact CG1-CZ 4.05Å; V86-P269 HydrophobicContact CG1-CG 3.45Å; V86-P269 VanDerWaalsContact CG1-CG 3.45Å
87	R	88.8	Confident	91.8	Very high	74 Å²	74	36.9 Å²	36.9	28%	0.279	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	116.9	172.3	-174.1	179.2	68.5	172.3	4.2	109	F81 F82	F81-R87 CarbonylContact O-C 3.6Å; F81-R87 WeakPolarHBondContact O-CA 3.42Å; F82-R87 HydrophobicContact CD1-CB 4.03Å; F82-R87 HydrophobicContact CE1-CB 3.73Å; F82-R87 HydrophobicContact CE1-CG 4.38Å; F82-R87 HydrophobicContact CZ-CB 4.31Å; F82-R87 HydrophobicContact CZ-CG 4.5Å
88	I	86.1	Confident	91.6	Very high	17 Å²	17	37.2 Å²	37.2	9%	0.087	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-25.2	-179	63.4	173.2	0	0	0	112.7	L24 F81 R83 V86 H106 M124 P128 F129	L24-I88 HydrophobicContact CD1-CD1 3.82Å; F81-I88 HydrophobicContact CB-CD1 4.4Å; F81-I88 HydrophobicContact CB-CG1 3.79Å; F81-I88 WeakPolarHBondContact O-CG1 3.3Å; F81-I88 PolarHBondContact O-N 3.02Å; R83-I88 HydrophobicContact CB-CD1 4.13Å; R83-I88 HydrophobicContact CB-CG2 4.08Å; V86-I88 PolarHBondContact O-N 3.32Å; I88-H106 HydrophobicContact CD1-CB 4.41Å; I88-M124 HydrophobicContact CG2-CE 3.79Å; I88-P128 HydrophobicContact CB-CB 4.38Å; I88-P128 HydrophobicContact CD1-CB 4.35Å; I88-F129 HydrophobicContact CB-CZ 4.33Å; I88-F129 HydrophobicContact CG2-CE1 4.41Å; I88-F129 HydrophobicContact CG2-CE2 4.23Å; I88-F129 HydrophobicContact CG2-CZ 3.76Å
89	D	88.5	Confident	91.6	Very high	39 Å²	39	37.1 Å²	37.1	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	167.9	179.8	-160	0.5	0	0	0	112	F81 K102 H106	F81-D89 HydrophobicContact CB-CB 3.95Å; F81-D89 HydrophobicContact CD2-CB 3.87Å; F81-D89 HydrophobicContact CG-CB 4.09Å; F81-D89 PolarHBondContact N-O 3.39Å; F81-D89 PolarHBondContact O-N 2.91Å; D89-K102 IonicContact OD1-NZ 3.44Å; D89-K102 PolarHBondContact OD1-NZ 2.79Å; D89-K102 WeakPolarHBondContact OD2-CD 3.08Å; D89-K102 WeakPolarHBondContact OD2-CE 3.49Å; D89-K102 IonicContact OD2-NZ 3.12Å; D89-K102 PolarHBondContact OD2-NZ 2.97Å; D89-H106 VanDerWaalsContact CB-NE2 3.25Å; D89-H106 WeakPolarHBondContact CB-NE2 3.38Å; D89-H106 IonicContact OD2-CD2 2.64Å; D89-H106 IonicContact OD2-CE1 2.63Å; D89-H106 IonicContact OD2-NE2 3.75Å; D89-H106 PolarHBondContact OD2-NE2 2.77Å
90	Q	93.3	Very high	91.5	Very high	65 Å²	65	39.1 Å²	39.1	30%	0.304	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.1	174.5	173	170.2	-21.2	0	0	110.7	T78 F79 L80 K102	T78-Q90 HydrophobicContact CG2-CG 4.05Å; F79-Q90 CarbonylContact O-C 3.55Å; F79-Q90 WeakPolarHBondContact O-CA 3.2Å; L80-Q90 HydrophobicContact CD2-CB 3.71Å; L80-Q90 HydrophobicContact CD2-CG 3.57Å; Q90-K102 PolarHBondContact O-NZ 3.01Å
91	Y	94.5	Very high	91.3	Very high	38 Å²	38	44.9 Å²	44.9	15%	0.149	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.7	170.7	-175.5	-98.3	0	0	0	109.6	T78 F79 D95 L99 K102	T78-Y91 CarbonylContact C-O 3.53Å; F79-Y91 AromaticContact CD2-CD1 3.94Å; F79-Y91 HydrophobicContact CD2-CD1 3.94Å; F79-Y91 PolarHBondContact N-O 2.78Å; F79-Y91 PolarHBondContact O-N 2.82Å; Y91-D95 VanDerWaalsContact OH-CB 3.26Å; Y91-D95 WeakPolarHBondContact OH-CB 3.27Å; Y91-D95 PolarHBondContact OH-O 3Å; Y91-D95 PolarHBondContact OH-OD2 2.85Å; Y91-D95 VanDerWaalsContact OH-OD2 3.07Å; Y91-L99 HydrophobicContact CD1-CB 4.06Å; Y91-L99 HydrophobicContact CD1-CD1 3.97Å; Y91-L99 HydrophobicContact CE1-CB 3.86Å; Y91-L99 HydrophobicContact CG-CD1 4.42Å; Y91-K102 HydrophobicContact CD2-CD 3.74Å; Y91-K102 HydrophobicContact CG-CD 4.2Å
92	Q	94.5	Very high	91.2	Very high	105 Å²	105	47.3 Å²	47.3	49%	0.491	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.1	-176.6	-177.7	-179.1	-20.1	0	0	110
93	G	92.9	Very high	91.3	Very high	27 Å²	27	47.1 Å²	47.1	28%	0.278	25%	0.247	S	C	.	.	S	Bend	trans	112.3	173.2	178.2	0	0	0	0	0	113.8	P77 F79	P77-G93 PolarHBondContact O-N 3.32Å; F79-G93 WeakPolarHBondContact CE2-O 3.43Å
94	A	93.6	Very high	91.5	Very high	36 Å²	36	51 Å²	51	30%	0.298	26%	0.264	S	S	.	.	S	Bend	trans	-107	39.6	-172.5	0	0	0	0	0	112.7	P36 I40 P77	P36-A94 HydrophobicContact CB-CB 3.71Å; P36-A94 VanDerWaalsContact O-CB 3.3Å; P36-A94 WeakPolarHBondContact O-CB 3.44Å; I40-A94 HydrophobicContact CB-CB 4.16Å; I40-A94 HydrophobicContact CG2-CB 4.42Å; P77-A94 HydrophobicContact CG-CB 4.05Å
95	D	94.7	Very high	91.7	Very high	77 Å²	77	53.8 Å²	53.8	41%	0.412	28%	0.275	S	S	.	.			trans	-96.8	115.8	169.3	165.5	37	0	0	0	109.5	Y91 V97 G98 L99	Y91-D95 VanDerWaalsContact OH-CB 3.26Å; Y91-D95 WeakPolarHBondContact OH-CB 3.27Å; Y91-D95 PolarHBondContact OH-O 3Å; Y91-D95 PolarHBondContact OH-OD2 2.85Å; Y91-D95 VanDerWaalsContact OH-OD2 3.07Å; D95-V97 PolarHBondContact OD1-N 3.08Å; D95-G98 PolarHBondContact OD2-N 3.28Å; D95-G98 VanDerWaalsContact OD2-N 3.1Å; D95-L99 WeakPolarHBondContact O-CB 3.39Å; D95-L99 PolarHBondContact O-N 3.04Å
96	A	95.2	Very high	91.6	Very high	31 Å²	31	49.3 Å²	49.3	26%	0.256	26%	0.256	S	S	.	.	H	α-helix	trans	-75.4	-29.4	-176.4	0	0	0	0	0	112.3	A43 M47 E100	A43-A96 HydrophobicContact CB-CB 3.71Å; M47-A96 HydrophobicContact CE-CB 3.99Å; M47-A96 VanDerWaalsContact CE-O 3.23Å; M47-A96 WeakPolarHBondContact CE-O 3.48Å; A96-E100 WeakPolarHBondContact O-CB 3.44Å; A96-E100 PolarHBondContact O-N 3.18Å
97	V	95.6	Very high	91.7	Very high	90 Å²	90	49.4 Å²	49.4	55%	0.545	26%	0.256	S	S	.	.	H	α-helix	trans	-70.6	-54.2	-177	-180	0	0	0	0	109.3	D95 L99 E100 E101	D95-V97 PolarHBondContact OD1-N 3.08Å; V97-L99 VanDerWaalsContact C-N 3.27Å; V97-L99 PolarHBondContact O-N 3.11Å; V97-E100 PolarHBondContact O-N 3.38Å; V97-E100 VanDerWaalsContact O-N 3.09Å; V97-E101 WeakPolarHBondContact O-CG 3.38Å; V97-E101 PolarHBondContact O-N 3.32Å
98	G	94.6	Very high	90.9	Very high	9 Å²	9	53.4 Å²	53.4	9%	0.093	28%	0.278	C	S	.	.	H	α-helix	trans	-62.4	-33	177.7	0	0	0	0	0	113.4	D95 K102	D95-G98 PolarHBondContact OD2-N 3.28Å; D95-G98 VanDerWaalsContact OD2-N 3.1Å; G98-K102 PolarHBondContact O-N 3.04Å; G98-K102 VanDerWaalsContact O-N 3.17Å
99	L	96.9	Very high	89.6	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-45.9	172.5	178.2	63.1	0	0	0	111.7	I40 F44 M47 F79 F81 Y91 D95 V97 K102 I103	I40-L99 HydrophobicContact CD1-CD2 3.88Å; I40-L99 HydrophobicContact CG1-CD2 4.42Å; F44-L99 HydrophobicContact CD2-CD2 3.98Å; M47-L99 HydrophobicContact SD-CD2 4.09Å; M47-L99 HydrophobicContact SD-CG 4.27Å; F79-L99 HydrophobicContact CB-CD1 3.87Å; F79-L99 HydrophobicContact CD1-CD1 3.83Å; F79-L99 HydrophobicContact CD1-CD2 3.75Å; F79-L99 HydrophobicContact CD1-CG 4.48Å; F79-L99 HydrophobicContact CD2-CD1 4.03Å; F79-L99 HydrophobicContact CD2-CD2 4.3Å; F79-L99 HydrophobicContact CE1-CD1 4.36Å; F79-L99 HydrophobicContact CE1-CD2 3.43Å; F79-L99 VanDerWaalsContact CE1-CD2 3.43Å; F79-L99 HydrophobicContact CE2-CD2 4.03Å; F79-L99 HydrophobicContact CG-CD1 3.63Å; F79-L99 HydrophobicContact CG-CD2 4.17Å; F79-L99 HydrophobicContact CZ-CD2 3.6Å; F81-L99 HydrophobicContact CZ-CD1 3.89Å; Y91-L99 HydrophobicContact CD1-CB 4.06Å; Y91-L99 HydrophobicContact CD1-CD1 3.97Å; Y91-L99 HydrophobicContact CE1-CB 3.86Å; Y91-L99 HydrophobicContact CG-CD1 4.42Å; D95-L99 WeakPolarHBondContact O-CB 3.39Å; D95-L99 PolarHBondContact O-N 3.04Å; V97-L99 VanDerWaalsContact C-N 3.27Å; V97-L99 PolarHBondContact O-N 3.11Å; L99-K102 PolarHBondContact O-N 2.87Å; L99-I103 HydrophobicContact CD1-CD1 4.39Å; L99-I103 HydrophobicContact CG-CD1 4.08Å; L99-I103 WeakPolarHBondContact O-CG1 3.46Å; L99-I103 PolarHBondContact O-N 2.97Å
100	E	95.9	Very high	88.2	Confident	41 Å²	41	53.6 Å²	53.6	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-38.2	180	-169.8	172	-168.6	0	0	112.2	M47 K50 Y51 A96 V97 I103 K104	M47-E100 HydrophobicContact CE-CB 3.88Å; M47-E100 HydrophobicContact SD-CB 4.29Å; K50-E100 WeakPolarHBondContact CD-OE1 3.43Å; K50-E100 WeakPolarHBondContact CE-OE1 3.46Å; K50-E100 IonicContact NZ-OE1 2.96Å; K50-E100 PolarHBondContact NZ-OE1 3.23Å; Y51-E100 HydrophobicContact CE2-CG 4.01Å; Y51-E100 WeakPolarHBondContact OH-CG 3.47Å; Y51-E100 PolarHBondContact OH-OE1 2.77Å; A96-E100 WeakPolarHBondContact O-CB 3.44Å; A96-E100 PolarHBondContact O-N 3.18Å; V97-E100 PolarHBondContact O-N 3.38Å; V97-E100 VanDerWaalsContact O-N 3.09Å; E100-I103 PolarHBondContact O-N 2.75Å; E100-K104 WeakPolarHBondContact O-CG 3.47Å; E100-K104 PolarHBondContact O-N 3.38Å
101	E	92.6	Very high	86.2	Confident	121 Å²	121	51.4 Å²	51.4	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-58.5	-46.4	173.9	-73.2	174.4	169.2	0	0	111.4	V97 I103 K104 Q105	V97-E101 WeakPolarHBondContact O-CG 3.38Å; V97-E101 PolarHBondContact O-N 3.32Å; E101-I103 PolarHBondContact O-N 2.67Å; E101-K104 PolarHBondContact O-N 3.12Å; E101-Q105 WeakPolarHBondContact O-CB 3.49Å; E101-Q105 PolarHBondContact O-N 2.83Å
102	K	91.1	Very high	84	Confident	51 Å²	51	51 Å²	51	22%	0.222	28%	0.277	C	S	.	.	H	α-helix	trans	-62.9	-40.4	174.2	-81.2	-165.9	169.8	-136.7	0	112.9	F81 D89 Q90 Y91 G98 L99 K104 Q105 H106	F81-K102 HydrophobicContact CE1-CB 4.19Å; F81-K102 HydrophobicContact CE2-CB 4.38Å; F81-K102 HydrophobicContact CE2-CD 4.27Å; F81-K102 HydrophobicContact CZ-CB 3.7Å; F81-K102 HydrophobicContact CZ-CD 4.39Å; D89-K102 IonicContact OD1-NZ 3.44Å; D89-K102 PolarHBondContact OD1-NZ 2.79Å; D89-K102 WeakPolarHBondContact OD2-CD 3.08Å; D89-K102 WeakPolarHBondContact OD2-CE 3.49Å; D89-K102 IonicContact OD2-NZ 3.12Å; D89-K102 PolarHBondContact OD2-NZ 2.97Å; Q90-K102 PolarHBondContact O-NZ 3.01Å; Y91-K102 HydrophobicContact CD2-CD 3.74Å; Y91-K102 HydrophobicContact CG-CD 4.2Å; G98-K102 PolarHBondContact O-N 3.04Å; G98-K102 VanDerWaalsContact O-N 3.17Å; L99-K102 PolarHBondContact O-N 2.87Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 2.91Å; K102-Q105 PolarHBondContact O-N 3.42Å; K102-H106 PolarHBondContact O-CD2 3.07Å; K102-H106 PolarHBondContact O-N 3.37Å
103	I	93.7	Very high	81.6	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.3	-48.1	175.6	-69.4	167.8	0	0	0	110	V26 M47 Y51 F56 F81 L99 E100 E101 H106 L107	V26-I103 HydrophobicContact CG1-CD1 4.49Å; V26-I103 HydrophobicContact CG1-CG1 4.49Å; V26-I103 HydrophobicContact CG2-CG1 4.19Å; M47-I103 HydrophobicContact CB-CD1 4.45Å; M47-I103 HydrophobicContact SD-CD1 3.77Å; Y51-I103 HydrophobicContact CD2-CG2 3.87Å; Y51-I103 HydrophobicContact CE2-CG2 4.17Å; Y51-I103 HydrophobicContact CG-CG2 4.15Å; F56-I103 HydrophobicContact CE1-CD1 3.95Å; F56-I103 HydrophobicContact CZ-CD1 4.25Å; F81-I103 HydrophobicContact CE1-CG1 3.75Å; F81-I103 HydrophobicContact CZ-CG1 4.32Å; L99-I103 HydrophobicContact CD1-CD1 4.39Å; L99-I103 HydrophobicContact CG-CD1 4.08Å; L99-I103 WeakPolarHBondContact O-CG1 3.46Å; L99-I103 PolarHBondContact O-N 2.97Å; E100-I103 PolarHBondContact O-N 2.75Å; E101-I103 PolarHBondContact O-N 2.67Å; I103-H106 PolarHBondContact O-N 3.03Å; I103-L107 HydrophobicContact CG2-CD1 3.63Å; I103-L107 HydrophobicContact CG2-CG 4.21Å; I103-L107 WeakPolarHBondContact O-CB 3.42Å; I103-L107 VanDerWaalsContact O-CG 3.23Å; I103-L107 WeakPolarHBondContact O-CG 3.42Å; I103-L107 PolarHBondContact O-N 3.06Å
104	K	90.4	Very high	79.3	Confident	88 Å²	88	55.2 Å²	55.2	38%	0.383	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-47	177.3	-72	174.5	-179.2	175.5	0	111.9	Y51 E100 E101 K102 H106 L107 E108	Y51-K104 HydrophobicContact CE1-CG 4.32Å; Y51-K104 WeakPolarHBondContact OH-CE 3.45Å; E100-K104 WeakPolarHBondContact O-CG 3.47Å; E100-K104 PolarHBondContact O-N 3.38Å; E101-K104 PolarHBondContact O-N 3.12Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 2.91Å; K104-H106 VanDerWaalsContact C-N 3.29Å; K104-H106 PolarHBondContact O-N 2.82Å; K104-L107 CarbonylContact O-C 3.59Å; K104-L107 PolarHBondContact O-N 2.99Å; K104-E108 WeakPolarHBondContact O-CG 3.17Å; K104-E108 PolarHBondContact O-N 2.86Å
105	Q	83.9	Confident	77.2	Confident	100 Å²	100	56.5 Å²	56.5	47%	0.467	30%	0.304	S	S	.	.	H	α-helix	trans	-55	-45	177.6	-177.3	-175.3	2.3	0	0	111.6	E101 K102 L107 N109	E101-Q105 WeakPolarHBondContact O-CB 3.49Å; E101-Q105 PolarHBondContact O-N 2.83Å; K102-Q105 PolarHBondContact O-N 3.42Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; Q105-N109 PolarHBondContact O-ND2 2.72Å
106	H	84.4	Confident	75.2	Confident	7 Å²	7	54.5 Å²	54.5	3%	0.032	29%	0.293	C	S	.	.	H	α-helix	trans	-77.4	-20.8	179.2	-70.8	-61.7	0	0	0	113.3	L24 F81 R83 I88 D89 K102 I103 K104 D110	L24-H106 HydrophobicContact CD1-CB 3.89Å; L24-H106 HydrophobicContact CD2-CB 3.74Å; L24-H106 HydrophobicContact CG-CB 4.46Å; F81-H106 AromaticContact CD1-CD2 3.87Å; R83-H106 PolarHBondContact NH2-O 3.05Å; I88-H106 HydrophobicContact CD1-CB 4.41Å; D89-H106 VanDerWaalsContact CB-NE2 3.25Å; D89-H106 WeakPolarHBondContact CB-NE2 3.38Å; D89-H106 IonicContact OD2-CD2 2.64Å; D89-H106 IonicContact OD2-CE1 2.63Å; D89-H106 IonicContact OD2-NE2 3.75Å; D89-H106 PolarHBondContact OD2-NE2 2.77Å; K102-H106 PolarHBondContact O-CD2 3.07Å; K102-H106 PolarHBondContact O-N 3.37Å; I103-H106 PolarHBondContact O-N 3.03Å; K104-H106 VanDerWaalsContact C-N 3.29Å; K104-H106 PolarHBondContact O-N 2.82Å; H106-D110 PolarHBondContact O-N 3.1Å
107	L	84.6	Confident	73.3	Confident	21 Å²	21	58.6 Å²	58.6	11%	0.11	32%	0.315	C	S	.	.	H	α-helix	trans	-80	-36	173.6	-77	177	0	0	0	113.6	L24 Y51 Q53 A54 I103 K104 Q105 N109 D110	L24-L107 HydrophobicContact CB-CD2 4.25Å; L24-L107 HydrophobicContact CD2-CD2 4.04Å; L24-L107 HydrophobicContact CD2-CG 3.97Å; Y51-L107 HydrophobicContact CD1-CD1 3.37Å; Y51-L107 HydrophobicContact CE1-CD1 4.08Å; Y51-L107 HydrophobicContact CG-CD1 3.69Å; Q53-L107 HydrophobicContact CG-CD2 3.62Å; A54-L107 HydrophobicContact CB-CD2 4.1Å; I103-L107 HydrophobicContact CG2-CD1 3.63Å; I103-L107 HydrophobicContact CG2-CG 4.21Å; I103-L107 WeakPolarHBondContact O-CB 3.42Å; I103-L107 VanDerWaalsContact O-CG 3.23Å; I103-L107 WeakPolarHBondContact O-CG 3.42Å; I103-L107 PolarHBondContact O-N 3.06Å; K104-L107 CarbonylContact O-C 3.59Å; K104-L107 PolarHBondContact O-N 2.99Å; Q105-L107 VanDerWaalsContact C-N 3.34Å; L107-N109 PolarHBondContact O-N 2.89Å; L107-D110 HydrophobicContact CD2-CB 4.33Å; L107-D110 WeakPolarHBondContact O-CB 3.23Å; L107-D110 PolarHBondContact O-N 3.24Å
108	E	71.9	Confident	71.9	Confident	158 Å²	158	57.3 Å²	57.3	74%	0.738	31%	0.305	S	S	*	.	H	α-helix	trans	-62.1	-32.2	172.9	-74.4	172.8	177.1	0	0	111.3	K104 D110	K104-E108 WeakPolarHBondContact O-CG 3.17Å; K104-E108 PolarHBondContact O-N 2.86Å; E108-D110 VanDerWaalsContact C-N 3.34Å
109	N	59.1	Low	71	Confident	34 Å²	34	57.8 Å²	57.8	18%	0.182	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	17.8	172.9	-56.9	-66.3	0	0	0	112.2	R83 Q105 L107 M127	R83-N109 PolarHBondContact NH1-O 2.9Å; Q105-N109 PolarHBondContact O-ND2 2.72Å; L107-N109 PolarHBondContact O-N 2.89Å; N109-M127 HydrophobicContact CB-CG 4.4Å
110	D	58.3	Low	69.9	Low	26 Å²	26	60 Å²	60	14%	0.139	32%	0.32	C	S	.	.			trans	-89.3	118.2	177.6	-158.3	-37.9	0	0	0	110.3	L24 R83 H106 L107 E108 G112	L24-D110 WeakPolarHBondContact CB-OD2 3.43Å; L24-D110 PolarHBondContact N-OD2 2.69Å; R83-D110 IonicContact CZ-OD2 3.04Å; R83-D110 VanDerWaalsContact NH2-CA 3.29Å; R83-D110 IonicContact NH2-OD1 2.85Å; R83-D110 IonicContact NH2-OD2 2.68Å; R83-D110 PolarHBondContact NH2-OD2 3.49Å; H106-D110 PolarHBondContact O-N 3.1Å; L107-D110 HydrophobicContact CD2-CB 4.33Å; L107-D110 WeakPolarHBondContact O-CB 3.23Å; L107-D110 PolarHBondContact O-N 3.24Å; E108-D110 VanDerWaalsContact C-N 3.34Å; D110-G112 PolarHBondContact O-N 3.19Å; D110-G112 PolarHBondContact OD1-N 3.5Å
111	P	50.9	Low	68.7	Low	19 Å²	19	68.3 Å²	68.3	12%	0.123	36%	0.355	C	S	.	.			trans	-62	-10.6	175.8	-12.4	22.6	0	0	0	113.4	E115	P111-E115 WeakPolarHBondContact CA-OE2 3.48Å; P111-E115 HydrophobicContact CB-CB 3.52Å; P111-E115 HydrophobicContact CB-CG 4.27Å; P111-E115 WeakPolarHBondContact CB-OE2 3.27Å; P111-E115 WeakPolarHBondContact O-CB 3.22Å; P111-E115 WeakPolarHBondContact O-CG 3.35Å
112	G	49.7	Very low	67.8	Low	29 Å²	29	65.7 Å²	65.7	30%	0.299	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	68.8	174.6	-170.4	0	0	0	0	0	111.6	D110 N114	D110-G112 PolarHBondContact O-N 3.19Å; D110-G112 PolarHBondContact OD1-N 3.5Å; G112-N114 PolarHBondContact O-N 3.03Å
113	S	44	Very low	67.5	Low	89 Å²	89	66 Å²	66	62%	0.622	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-67.1	-2.1	-173.9	51.4	0	0	0	0	115.3
114	N	44.3	Very low	67.1	Low	133 Å²	133	66.1 Å²	66.1	71%	0.711	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-113.4	-11.8	-170	-76.4	-9.8	0	0	0	115.2	G112	G112-N114 PolarHBondContact O-N 3.03Å
115	E	48.9	Very low	67	Low	63 Å²	63	62.7 Å²	62.7	29%	0.294	35%	0.348	S	S	.	.	S	Bend	trans	-101.9	-3.3	-167.8	-69.1	-166.7	135	0	0	115.7	P111 T117 K152	P111-E115 WeakPolarHBondContact CA-OE2 3.48Å; P111-E115 HydrophobicContact CB-CB 3.52Å; P111-E115 HydrophobicContact CB-CG 4.27Å; P111-E115 WeakPolarHBondContact CB-OE2 3.27Å; P111-E115 WeakPolarHBondContact O-CB 3.22Å; P111-E115 WeakPolarHBondContact O-CG 3.35Å; E115-T117 VanDerWaalsContact C-N 3.34Å; E115-K152 WeakPolarHBondContact OE1-CD 3.38Å; E115-K152 IonicContact OE1-NZ 3.75Å; E115-K152 PolarHBondContact OE1-NZ 2.97Å; E115-K152 IonicContact OE2-NZ 2.8Å; E115-K152 PolarHBondContact OE2-NZ 3.09Å
116	D	53.5	Low	67.4	Low	35 Å²	35	57.9 Å²	57.9	19%	0.187	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	9.1	177.2	-99.9	-0.8	0	0	0	113.1	S22 N84 D118 I119	S22-D116 WeakPolarHBondContact CB-OD2 3.23Å; N84-D116 PolarHBondContact ND2-OD2 3.01Å; D116-D118 PolarHBondContact O-N 3.36Å; D116-I119 PolarHBondContact O-N 3.31Å; D116-I119 VanDerWaalsContact OD1-CD1 3.27Å; D116-I119 WeakPolarHBondContact OD1-CD1 3.34Å
117	T	55.2	Low	67.7	Low	117 Å²	117	58 Å²	58	72%	0.718	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.2	175.8	47.1	0	0	0	0	112.2	E115	E115-T117 VanDerWaalsContact C-N 3.34Å
118	D	66.2	Low	67.8	Low	62 Å²	62	57.7 Å²	57.7	33%	0.332	33%	0.326	S	S	.	.	S	Bend	trans	-91.3	-18.5	-173.9	-41.3	-23.9	0	0	0	111.3	D116 P120 K181 I230	D116-D118 PolarHBondContact O-N 3.36Å; D118-P120 WeakPolarHBondContact O-CD 3.4Å; D118-K181 IonicContact OD2-NZ 3.3Å; D118-K181 PolarHBondContact OD2-NZ 2.81Å; D118-I230 HydrophobicContact CB-CD1 3.75Å; D118-I230 WeakPolarHBondContact O-CD1 3.36Å
119	I	75.9	Confident	68.6	Low	19 Å²	19	50.4 Å²	50.4	10%	0.097	29%	0.291	C	S	.	.	S	Bend	trans	-78.3	121.6	177.3	-58.7	-162.1	0	0	0	109.4	D116 K121 D125 I266	D116-I119 PolarHBondContact O-N 3.31Å; D116-I119 VanDerWaalsContact OD1-CD1 3.27Å; D116-I119 WeakPolarHBondContact OD1-CD1 3.34Å; I119-K121 PolarHBondContact O-N 3.17Å; I119-D125 HydrophobicContact CD1-CB 4.09Å; I119-I266 HydrophobicContact CD1-CD1 4.24Å; I119-I266 HydrophobicContact CD1-CG1 4.08Å; I119-I266 HydrophobicContact CD1-CG2 4.46Å; I119-I266 HydrophobicContact CG1-CD1 4.06Å; I119-I266 HydrophobicContact CG1-CG1 4.43Å; I119-I266 HydrophobicContact CG2-CG2 3.75Å
120	P	73.1	Confident	70.2	Confident	48 Å²	48	49.2 Å²	49.2	31%	0.312	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-62.9	141.7	179.8	-17.9	29.3	0	0	0	111.5	D118 G122 Y123 Y178	D118-P120 WeakPolarHBondContact O-CD 3.4Å; P120-G122 PolarHBondContact O-N 3.39Å; P120-Y123 HydrophobicContact CB-CD2 3.92Å; P120-Y123 HydrophobicContact CB-CE2 4.28Å; P120-Y123 HydrophobicContact CG-CD2 4.38Å; P120-Y123 WeakPolarHBondContact O-CD2 3.33Å; P120-Y123 PolarHBondContact O-N 2.78Å; P120-Y178 HydrophobicContact CG-CE1 3.99Å
121	K	71.8	Confident	71.8	Confident	214 Å²	214	50.6 Å²	50.6	93%	0.93	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	125.9	-177.9	-72.4	-175.9	179.9	177.1	0	111.6	I119	I119-K121 PolarHBondContact O-N 3.17Å
122	G	73.6	Confident	73.6	Confident	67 Å²	67	53.6 Å²	53.6	69%	0.691	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	101	-8.1	179	0	0	0	0	0	114.1	P120 T268	P120-G122 PolarHBondContact O-N 3.39Å; G122-T268 WeakPolarHBondContact O-CG2 3.32Å
123	Y	84.1	Confident	75.5	Confident	58 Å²	58	57 Å²	57	23%	0.227	33%	0.329	C	S	.	.			trans	-105.5	168.6	167.2	-53.4	-72.7	0	0	0	110.6	P120 Y178 G267 T268	P120-Y123 HydrophobicContact CB-CD2 3.92Å; P120-Y123 HydrophobicContact CB-CE2 4.28Å; P120-Y123 HydrophobicContact CG-CD2 4.38Å; P120-Y123 WeakPolarHBondContact O-CD2 3.33Å; P120-Y123 PolarHBondContact O-N 2.78Å; Y123-Y178 HydrophobicContact CD1-CD2 4.49Å; Y123-Y178 HydrophobicContact CD1-CG 4.02Å; Y123-Y178 AromaticContact CD2-CD1 3.98Å; Y123-Y178 HydrophobicContact CD2-CD1 3.98Å; Y123-Y178 HydrophobicContact CD2-CE1 4.29Å; Y123-Y178 HydrophobicContact CD2-CG 4.1Å; Y123-Y178 AromaticContact CE1-CD2 3.73Å; Y123-Y178 HydrophobicContact CE1-CD2 3.73Å; Y123-Y178 AromaticContact CE1-CG 3.71Å; Y123-Y178 HydrophobicContact CE1-CG 3.71Å; Y123-Y178 AromaticContact CE2-CD1 3.91Å; Y123-Y178 HydrophobicContact CE2-CD1 3.91Å; Y123-Y178 AromaticContact CE2-CD2 3.78Å; Y123-Y178 HydrophobicContact CE2-CD2 3.78Å; Y123-Y178 HydrophobicContact CE2-CE1 4Å; Y123-Y178 AromaticContact CE2-CE2 3.86Å; Y123-Y178 HydrophobicContact CE2-CE2 3.86Å; Y123-Y178 AromaticContact CE2-CG 3.8Å; Y123-Y178 HydrophobicContact CE2-CG 3.8Å; Y123-Y178 AromaticContact CE2-CZ 3.97Å; Y123-Y178 HydrophobicContact CG-CD1 4.31Å; Y123-Y178 HydrophobicContact CG-CG 4.21Å; Y123-Y178 AromaticContact CZ-CD2 3.31Å; Y123-Y178 AromaticContact CZ-CE2 3.7Å; Y123-Y178 AromaticContact CZ-CG 3.59Å; Y123-Y178 VanDerWaalsContact OH-CD2 3.26Å; Y123-Y178 WeakPolarHBondContact OH-CD2 3.21Å; Y123-Y178 WeakPolarHBondContact OH-CE2 3.22Å; Y123-G267 WeakPolarHBondContact CA-O 3.47Å; Y123-T268 HydrophobicContact CD1-CG2 4.11Å
124	M	85.7	Confident	77.8	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	160.2	176.6	64.7	-171.3	-60.2	0	0	110.2	R83 N84 V86 I88 L126 F129 I266 G267	R83-M124 HydrophobicContact CB-CE 4Å; R83-M124 HydrophobicContact CG-CE 4.16Å; N84-M124 HydrophobicContact CB-CB 4.36Å; V86-M124 HydrophobicContact CB-CE 4.42Å; V86-M124 HydrophobicContact CB-SD 3.75Å; V86-M124 HydrophobicContact CG1-SD 3.99Å; V86-M124 HydrophobicContact CG2-SD 3.84Å; I88-M124 HydrophobicContact CG2-CE 3.79Å; M124-L126 HydrophobicContact CG-CD2 4.26Å; M124-L126 PolarHBondContact O-N 3.1Å; M124-F129 HydrophobicContact CE-CE2 3.97Å; M124-F129 HydrophobicContact CE-CZ 4.47Å; M124-F129 HydrophobicContact SD-CE2 3.86Å; M124-F129 HydrophobicContact SD-CZ 4.34Å; M124-I266 WeakPolarHBondContact O-CA 3.18Å; M124-G267 PolarHBondContact N-O 3.32Å; M124-G267 PolarHBondContact O-N 2.88Å
125	D	88.4	Confident	80.2	Confident	15 Å²	15	49.3 Å²	49.3	8%	0.08	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	127.9	164.3	-166.2	-49.1	0	0	0	109.9	I119 M127 P128 Y262 T264	I119-D125 HydrophobicContact CD1-CB 4.09Å; D125-M127 WeakPolarHBondContact OD1-CB 3.35Å; D125-M127 PolarHBondContact OD1-N 3.4Å; D125-P128 WeakPolarHBondContact O-CD 3.41Å; D125-Y262 PolarHBondContact OD2-OH 2.93Å; D125-Y262 VanDerWaalsContact OD2-OH 3.06Å; D125-T264 VanDerWaalsContact CG-OG1 3.24Å; D125-T264 PolarHBondContact OD1-OG1 3.33Å; D125-T264 VanDerWaalsContact OD2-CG2 3.32Å; D125-T264 WeakPolarHBondContact OD2-CG2 3Å; D125-T264 PolarHBondContact OD2-OG1 3.49Å
126	L	91.4	Very high	82.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.295	C	S	.	.			trans	-92.3	2.9	-177	-64.5	179.6	0	0	0	113.7	M124 P128 F129 I130 F171 V175 L177 F265	M124-L126 HydrophobicContact CG-CD2 4.26Å; M124-L126 PolarHBondContact O-N 3.1Å; L126-P128 VanDerWaalsContact C-N 3.27Å; L126-F129 HydrophobicContact CB-CD2 4.41Å; L126-F129 HydrophobicContact CD2-CD2 3.66Å; L126-F129 HydrophobicContact CD2-CE2 4Å; L126-F129 WeakPolarHBondContact O-CA 3.14Å; L126-F129 WeakPolarHBondContact O-CB 3.32Å; L126-F129 PolarHBondContact O-N 3.37Å; L126-I130 PolarHBondContact O-N 3.05Å; L126-F171 HydrophobicContact CB-CE1 4.16Å; L126-V175 HydrophobicContact CD1-CB 4.06Å; L126-V175 HydrophobicContact CD1-CG1 4.44Å; L126-V175 HydrophobicContact CD1-CG2 4.07Å; L126-V175 HydrophobicContact CD2-CG1 4.32Å; L126-L177 HydrophobicContact CD1-CD2 3.43Å; L126-L177 VanDerWaalsContact CD1-CD2 3.43Å; L126-F265 HydrophobicContact CB-CB 4.18Å; L126-F265 WeakPolarHBondContact CB-O 3.42Å; L126-F265 HydrophobicContact CD1-CB 4Å; L126-F265 PolarHBondContact N-O 2.9Å
127	M	90.3	Very high	84.5	Confident	9 Å²	9	49.3 Å²	49.3	4%	0.044	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-47.4	-41.5	174.8	-172	63.5	-159.4	0	0	113.5	N109 D125 F129 I130 L150	N109-M127 HydrophobicContact CB-CG 4.4Å; D125-M127 WeakPolarHBondContact OD1-CB 3.35Å; D125-M127 PolarHBondContact OD1-N 3.4Å; M127-F129 PolarHBondContact O-N 2.97Å; M127-F129 VanDerWaalsContact O-N 3.15Å; M127-I130 PolarHBondContact O-N 3.4Å; M127-I130 VanDerWaalsContact O-N 3.15Å; M127-I130 HydrophobicContact SD-CD1 3.83Å; M127-L150 HydrophobicContact CE-CB 3.59Å; M127-L150 HydrophobicContact CE-CD1 4.01Å; M127-L150 HydrophobicContact CE-CD2 4.27Å; M127-L150 HydrophobicContact CE-CG 4.17Å; M127-L150 HydrophobicContact SD-CB 4.2Å; M127-L150 HydrophobicContact SD-CD2 4.03Å
128	P	86.6	Confident	86.5	Confident	15 Å²	15	46.1 Å²	46.1	10%	0.097	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19.2	176.6	-22.5	35.2	0	0	0	114.9	I88 D125 L126	I88-P128 HydrophobicContact CB-CB 4.38Å; I88-P128 HydrophobicContact CD1-CB 4.35Å; D125-P128 WeakPolarHBondContact O-CD 3.41Å; L126-P128 VanDerWaalsContact C-N 3.27Å
129	F	90	Very high	88	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.018	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-93.9	-6.8	179.5	-59.4	-75.5	0	0	0	112.9	V86 I88 M124 L126 M127 F171 N172 Q173 V175 P269	V86-F129 HydrophobicContact CG1-CZ 4.05Å; I88-F129 HydrophobicContact CB-CZ 4.33Å; I88-F129 HydrophobicContact CG2-CE1 4.41Å; I88-F129 HydrophobicContact CG2-CE2 4.23Å; I88-F129 HydrophobicContact CG2-CZ 3.76Å; M124-F129 HydrophobicContact CE-CE2 3.97Å; M124-F129 HydrophobicContact CE-CZ 4.47Å; M124-F129 HydrophobicContact SD-CE2 3.86Å; M124-F129 HydrophobicContact SD-CZ 4.34Å; L126-F129 HydrophobicContact CB-CD2 4.41Å; L126-F129 HydrophobicContact CD2-CD2 3.66Å; L126-F129 HydrophobicContact CD2-CE2 4Å; L126-F129 WeakPolarHBondContact O-CA 3.14Å; L126-F129 WeakPolarHBondContact O-CB 3.32Å; L126-F129 PolarHBondContact O-N 3.37Å; M127-F129 PolarHBondContact O-N 2.97Å; M127-F129 VanDerWaalsContact O-N 3.15Å; F129-F171 HydrophobicContact CB-CD1 4.05Å; F129-F171 CarbonylContact O-C 3.54Å; F129-F171 VanDerWaalsContact O-CA 3.26Å; F129-F171 WeakPolarHBondContact O-CA 3.4Å; F129-N172 PolarHBondContact O-N 3.17Å; F129-Q173 HydrophobicContact CD1-CG 3.87Å; F129-Q173 VanDerWaalsContact CD1-NE2 3.32Å; F129-Q173 HydrophobicContact CE1-CG 4.41Å; F129-V175 HydrophobicContact CB-CG1 4.21Å; F129-V175 HydrophobicContact CG-CG1 4.42Å; F129-P269 HydrophobicContact CE1-CB 4.37Å; F129-P269 HydrophobicContact CE1-CG 4.35Å; F129-P269 HydrophobicContact CE2-CG 4.49Å; F129-P269 HydrophobicContact CZ-CB 4.33Å; F129-P269 HydrophobicContact CZ-CG 3.91Å
130	I	92.1	Very high	89	Confident	10 Å²	10	47.5 Å²	47.5	5%	0.051	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-72.2	128.6	178.7	-65	-179.8	0	0	0	110	L126 M127 K132 C135 V169 F171	L126-I130 PolarHBondContact O-N 3.05Å; M127-I130 PolarHBondContact O-N 3.4Å; M127-I130 VanDerWaalsContact O-N 3.15Å; M127-I130 HydrophobicContact SD-CD1 3.83Å; I130-K132 PolarHBondContact O-N 3.01Å; I130-C135 VanDerWaalsContact CG2-SG 3.58Å; I130-V169 HydrophobicContact CB-CG1 4.42Å; I130-V169 HydrophobicContact CD1-CG1 3.87Å; I130-V169 HydrophobicContact CG1-CG1 3.84Å; I130-V169 HydrophobicContact CG2-CG1 3.85Å; I130-F171 HydrophobicContact CG1-CD1 4.13Å; I130-F171 HydrophobicContact CG1-CE1 3.79Å
131	N	91.9	Very high	90.2	Very high	55 Å²	55	46 Å²	46	29%	0.294	27%	0.265	S	S	.	.			trans	-88.2	88.7	171.6	-176	6.4	0	0	0	109.8	A133 G134 C135 A170 N172	N131-A133 PolarHBondContact O-N 3.49Å; N131-A133 VanDerWaalsContact O-N 3.17Å; N131-A133 PolarHBondContact OD1-N 3.15Å; N131-G134 CarbonylContact O-C 3.58Å; N131-G134 WeakPolarHBondContact O-CA 3.34Å; N131-G134 PolarHBondContact O-N 2.86Å; N131-C135 PolarHBondContact O-N 2.77Å; N131-C135 PolarHBondContact O-SG 2.84Å; N131-A170 HydrophobicContact CB-CB 4.11Å; N131-A170 PolarHBondContact N-O 3.11Å; N131-N172 WeakPolarHBondContact CB-OD1 3.44Å; N131-N172 VanDerWaalsContact CG-OD1 3.29Å
132	K	89.4	Confident	91.2	Very high	82 Å²	82	43.8 Å²	43.8	36%	0.357	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-53.8	-38	-178.9	-63.5	-170.4	178.7	-170.7	0	113.4	I130 G134 C135	I130-K132 PolarHBondContact O-N 3.01Å; K132-G134 PolarHBondContact O-N 2.87Å; K132-C135 PolarHBondContact O-N 3.15Å; K132-C135 VanDerWaalsContact O-N 3.12Å
133	A	89.8	Confident	92.1	Very high	101 Å²	101	48.3 Å²	48.3	84%	0.835	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-69.2	-15.8	178.9	0	0	0	0	0	113.9	N131	N131-A133 PolarHBondContact O-N 3.49Å; N131-A133 VanDerWaalsContact O-N 3.17Å; N131-A133 PolarHBondContact OD1-N 3.15Å
134	G	90.8	Very high	92.7	Very high	34 Å²	34	47.9 Å²	47.9	35%	0.351	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-106	6	173.9	0	0	0	0	0	113.6	N131 K132 A170	N131-G134 CarbonylContact O-C 3.58Å; N131-G134 WeakPolarHBondContact O-CA 3.34Å; N131-G134 PolarHBondContact O-N 2.86Å; K132-G134 PolarHBondContact O-N 2.87Å; G134-A170 WeakPolarHBondContact O-CB 3.5Å
135	C	94.9	Very high	93.1	Very high	25 Å²	25	48.6 Å²	48.6	17%	0.169	27%	0.274	C	S	.	.			trans	-84.5	152	172.2	-63.7	0	0	0	0	110.3	I130 N131 K132 F146 T168	I130-C135 VanDerWaalsContact CG2-SG 3.58Å; N131-C135 PolarHBondContact O-N 2.77Å; N131-C135 PolarHBondContact O-SG 2.84Å; K132-C135 PolarHBondContact O-N 3.15Å; K132-C135 VanDerWaalsContact O-N 3.12Å; C135-F146 HydrophobicContact CB-CD1 4.16Å; C135-F146 HydrophobicContact CB-CE1 3.51Å; C135-F146 HydrophobicContact CB-CZ 4.36Å; C135-T168 CarbonylContact C-O 3.54Å; C135-T168 WeakPolarHBondContact CA-O 3.16Å; C135-T168 WeakPolarHBondContact CB-O 3.5Å
136	E	95.6	Very high	93.4	Very high	86 Å²	86	48.4 Å²	48.4	40%	0.402	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	140.1	178.5	177.5	177.7	-148.2	0	0	108	L138 T168	E136-L138 HydrophobicContact CG-CD2 4.2Å; E136-T168 PolarHBondContact N-O 2.85Å; E136-T168 PolarHBondContact O-N 2.84Å
137	C	97.1	Very high	93.4	Very high	13 Å²	13	52 Å²	52	9%	0.088	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	128.3	171.4	-168.5	0	0	0	0	109.5	E140 F146 L166	C137-E140 HydrophobicContact CB-CB 4.28Å; C137-E140 HydrophobicContact CB-CG 4.38Å; C137-F146 HydrophobicContact CB-CB 3.59Å; C137-F146 HydrophobicContact CB-CG 4.12Å; C137-L166 CarbonylContact C-O 3.57Å; C137-L166 VanDerWaalsContact CA-O 3.3Å; C137-L166 WeakPolarHBondContact CA-O 3.06Å
138	L	97.9	Very high	93.6	Very high	50 Å²	50	53.3 Å²	53.3	26%	0.262	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.6	173.3	-51	-179	0	0	0	109.8	E136 E140 L166 F206	E136-L138 HydrophobicContact CG-CD2 4.2Å; L138-E140 VanDerWaalsContact C-N 3.26Å; L138-L166 HydrophobicContact CB-CB 4.09Å; L138-L166 HydrophobicContact CD1-CB 4.36Å; L138-L166 HydrophobicContact CD1-CD2 4.04Å; L138-L166 HydrophobicContact CG-CB 4.39Å; L138-L166 HydrophobicContact CG-CD2 4.33Å; L138-L166 PolarHBondContact N-O 2.82Å; L138-L166 PolarHBondContact O-N 2.83Å; L138-F206 HydrophobicContact CB-CE2 3.72Å; L138-F206 HydrophobicContact CB-CZ 3.78Å; L138-F206 HydrophobicContact CD1-CE2 4.25Å
139	N	97.8	Very high	93.9	Very high	35 Å²	35	52.6 Å²	52.6	19%	0.187	29%	0.294	C	S	.	.	S	Bend	trans	62.8	27.6	-174.3	-160.5	36.5	0	0	0	113.7	S159 D160 C161 D162 Q164 L165 F206	N139-S159 CarbonylContact O-C 3.55Å; N139-S159 WeakPolarHBondContact O-CA 3.32Å; N139-D160 PolarHBondContact O-N 2.78Å; N139-C161 WeakPolarHBondContact OD1-CB 3.29Å; N139-C161 PolarHBondContact OD1-N 2.76Å; N139-D162 PolarHBondContact ND2-O 3.06Å; N139-D162 PolarHBondContact ND2-OD1 2.86Å; N139-Q164 PolarHBondContact ND2-O 3Å; N139-L165 WeakPolarHBondContact O-CD2 2.99Å; N139-F206 HydrophobicContact CB-CE2 4.37Å; N139-F206 HydrophobicContact CB-CZ 3.74Å
140	E	97.2	Very high	93.8	Very high	75 Å²	75	52.6 Å²	52.6	35%	0.35	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-77.6	144.3	169.5	67.6	-178.6	168.2	0	0	111.3	C137 L138 G145 F146 L157	C137-E140 HydrophobicContact CB-CB 4.28Å; C137-E140 HydrophobicContact CB-CG 4.38Å; L138-E140 VanDerWaalsContact C-N 3.26Å; E140-G145 WeakPolarHBondContact OE2-CA 3.4Å; E140-F146 WeakPolarHBondContact OE2-CB 3.39Å; E140-F146 PolarHBondContact OE2-N 2.8Å; E140-L157 HydrophobicContact CB-CD1 3.75Å
141	S	97.2	Very high	93.5	Very high	17 Å²	17	58 Å²	58	12%	0.119	31%	0.314	C	S	.	.			trans	-67.8	143.2	173.3	175.5	0	0	0	0	112	E143 H144 G145 E158	S141-E143 PolarHBondContact O-N 3.25Å; S141-E143 PolarHBondContact OG-N 2.8Å; S141-H144 CarbonylContact O-C 3.44Å; S141-H144 PolarHBondContact O-N 3.37Å; S141-G145 PolarHBondContact O-N 2.77Å; S141-E158 WeakPolarHBondContact CB-O 3.23Å; S141-E158 PolarHBondContact N-O 2.81Å
142	D	93.2	Very high	93	Very high	167 Å²	167	59.6 Å²	59.6	89%	0.893	32%	0.319	S	S	*	.	S	Bend	trans	-57.6	-30.5	173.7	-76.2	-24.6	0	0	0	113.1
143	E	93.8	Very high	92.8	Very high	162 Å²	162	59.8 Å²	59.8	76%	0.757	32%	0.324	S	S	*	.	S	Bend	trans	-91.3	-27.2	-179.8	-61.6	-166.7	168.5	0	0	112.7	S141	S141-E143 PolarHBondContact O-N 3.25Å; S141-E143 PolarHBondContact OG-N 2.8Å
144	H	95.3	Very high	92.7	Very high	48 Å²	48	63.5 Å²	63.5	22%	0.222	33%	0.326	C	S	.	.	S	Bend	trans	-131.2	63.3	-168.1	-66.5	-54.5	0	0	0	111.6	S141 N148 F156 L157 E158	S141-H144 CarbonylContact O-C 3.44Å; S141-H144 PolarHBondContact O-N 3.37Å; H144-N148 WeakPolarHBondContact CA-ND2 3.34Å; H144-F156 HydrophobicContact CB-CD2 4.2Å; H144-F156 HydrophobicContact CB-CE2 4.06Å; H144-F156 WeakPolarHBondContact CB-O 3.47Å; H144-F156 AromaticContact CD2-CE2 3.48Å; H144-F156 VanDerWaalsContact CD2-CE2 3.48Å; H144-F156 WeakPolarHBondContact CD2-CE2 3.1Å; H144-F156 AromaticContact CD2-CZ 3.68Å; H144-F156 AromaticContact CE1-CE1 3.88Å; H144-F156 AromaticContact CE1-CE2 3.88Å; H144-F156 AromaticContact CE1-CZ 3.43Å; H144-F156 VanDerWaalsContact CE1-CZ 3.43Å; H144-F156 WeakPolarHBondContact CE1-CZ 3.39Å; H144-F156 AromaticContact CG-CE2 3.49Å; H144-F156 VanDerWaalsContact CG-CE2 3.49Å; H144-F156 AromaticContact CG-CZ 3.88Å; H144-F156 AromaticContact ND1-CE2 3.74Å; H144-F156 AromaticContact ND1-CZ 3.73Å; H144-F156 AromaticContact NE2-CE2 3.73Å; H144-F156 AromaticContact NE2-CZ 3.37Å; H144-F156 WeakPolarHBondContact NE2-CZ 3.33Å; H144-L157 WeakPolarHBondContact O-CA 3.35Å; H144-L157 WeakPolarHBondContact O-CD1 3.46Å; H144-E158 HydrophobicContact CB-CB 3.87Å; H144-E158 IonicContact CD2-OE2 3.77Å; H144-E158 PolarHBondContact O-N 3.46Å
145	G	95.1	Very high	92.8	Very high	18 Å²	18	63.2 Å²	63.2	19%	0.186	32%	0.319	C	S	.	.			trans	-76.6	172.7	-178.8	0	0	0	0	0	115.6	E140 S141 D147 N148	E140-G145 WeakPolarHBondContact OE2-CA 3.4Å; S141-G145 PolarHBondContact O-N 2.77Å; G145-D147 VanDerWaalsContact C-N 3.31Å; G145-D147 PolarHBondContact O-N 3.25Å; G145-N148 PolarHBondContact N-ND2 3.16Å; G145-N148 VanDerWaalsContact O-CB 3.24Å; G145-N148 WeakPolarHBondContact O-CB 3.29Å; G145-N148 PolarHBondContact O-N 3.35Å; G145-N148 VanDerWaalsContact O-N 3.1Å; G145-N148 PolarHBondContact O-ND2 2.92Å
146	F	94.3	Very high	92.9	Very high	10 Å²	10	64.2 Å²	64.2	4%	0.044	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-35	-172.8	168.3	-109	0	0	0	114.4	C135 C137 E140 N148 C149 L150 L157 I167 V169 F263	C135-F146 HydrophobicContact CB-CD1 4.16Å; C135-F146 HydrophobicContact CB-CE1 3.51Å; C135-F146 HydrophobicContact CB-CZ 4.36Å; C137-F146 HydrophobicContact CB-CB 3.59Å; C137-F146 HydrophobicContact CB-CG 4.12Å; E140-F146 WeakPolarHBondContact OE2-CB 3.39Å; E140-F146 PolarHBondContact OE2-N 2.8Å; F146-N148 PolarHBondContact O-N 3.42Å; F146-C149 PolarHBondContact O-N 2.86Å; F146-C149 PolarHBondContact O-SG 3.12Å; F146-L150 HydrophobicContact CD1-CD1 4.24Å; F146-L150 HydrophobicContact CE1-CD1 3.62Å; F146-L150 HydrophobicContact CE1-CD2 4.43Å; F146-L150 HydrophobicContact CE1-CG 4.21Å; F146-L150 HydrophobicContact CE2-CD2 4.1Å; F146-L150 HydrophobicContact CE2-CG 4.35Å; F146-L150 HydrophobicContact CZ-CD1 3.84Å; F146-L150 HydrophobicContact CZ-CD2 3.78Å; F146-L150 HydrophobicContact CZ-CG 4.01Å; F146-L157 HydrophobicContact CD2-CD2 4.26Å; F146-I167 HydrophobicContact CD2-CG2 3.6Å; F146-I167 HydrophobicContact CE2-CG2 3.22Å; F146-I167 HydrophobicContact CZ-CG2 3.94Å; F146-V169 HydrophobicContact CZ-CG2 4.14Å; F146-F263 HydrophobicContact CE2-CD1 4.13Å; F146-F263 HydrophobicContact CE2-CE1 4.18Å; F146-F263 HydrophobicContact CZ-CE1 4.48Å
147	D	91.8	Very high	93	Very high	77 Å²	77	60.1 Å²	60.1	41%	0.412	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.8	179.4	-88.1	-34.1	0	0	0	113.8	G145 R151	G145-D147 VanDerWaalsContact C-N 3.31Å; G145-D147 PolarHBondContact O-N 3.25Å; D147-R151 PolarHBondContact O-NE 2.82Å
148	N	93.4	Very high	93	Very high	35 Å²	35	60.7 Å²	60.7	19%	0.187	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-44.3	178.9	-65.9	-17.3	0	0	0	111.4	H144 G145 F146 L150 R151 S155 F156	H144-N148 WeakPolarHBondContact CA-ND2 3.34Å; G145-N148 PolarHBondContact N-ND2 3.16Å; G145-N148 VanDerWaalsContact O-CB 3.24Å; G145-N148 WeakPolarHBondContact O-CB 3.29Å; G145-N148 PolarHBondContact O-N 3.35Å; G145-N148 VanDerWaalsContact O-N 3.1Å; G145-N148 PolarHBondContact O-ND2 2.92Å; F146-N148 PolarHBondContact O-N 3.42Å; N148-L150 PolarHBondContact O-N 3.43Å; N148-L150 VanDerWaalsContact O-N 3.08Å; N148-R151 PolarHBondContact O-N 2.81Å; N148-R151 VanDerWaalsContact O-N 3.16Å; N148-S155 WeakPolarHBondContact CA-OG 3.41Å; N148-S155 WeakPolarHBondContact CB-OG 3.4Å; N148-S155 PolarHBondContact O-OG 2.81Å; N148-F156 WeakPolarHBondContact CB-O 3.33Å; N148-F156 PolarHBondContact ND2-O 2.93Å; N148-F156 VanDerWaalsContact ND2-O 3.15Å
149	C	92.6	Very high	93	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-1	-179.5	76	0	0	0	0	113.7	F146 R151 L157 I260 Y262 F263	F146-C149 PolarHBondContact O-N 2.86Å; F146-C149 PolarHBondContact O-SG 3.12Å; C149-R151 VanDerWaalsContact C-N 3.33Å; C149-L157 HydrophobicContact CB-CB 3.72Å; C149-I260 HydrophobicContact CB-CB 4.26Å; C149-I260 HydrophobicContact CB-CG2 3.92Å; C149-I260 VanDerWaalsContact CB-O 3.24Å; C149-I260 WeakPolarHBondContact CB-O 3.44Å; C149-Y262 CarbonylContact O-C 3.54Å; C149-Y262 VanDerWaalsContact O-CA 3.3Å; C149-Y262 WeakPolarHBondContact O-CA 3.44Å; C149-F263 PolarHBondContact O-N 3.43Å
150	L	89.6	Confident	93	Very high	5 Å²	5	61.5 Å²	61.5	3%	0.026	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-0.8	173.4	-65.9	-176.9	0	0	0	113	M127 F146 N148 F263	M127-L150 HydrophobicContact CE-CB 3.59Å; M127-L150 HydrophobicContact CE-CD1 4.01Å; M127-L150 HydrophobicContact CE-CD2 4.27Å; M127-L150 HydrophobicContact CE-CG 4.17Å; M127-L150 HydrophobicContact SD-CB 4.2Å; M127-L150 HydrophobicContact SD-CD2 4.03Å; F146-L150 HydrophobicContact CD1-CD1 4.24Å; F146-L150 HydrophobicContact CE1-CD1 3.62Å; F146-L150 HydrophobicContact CE1-CD2 4.43Å; F146-L150 HydrophobicContact CE1-CG 4.21Å; F146-L150 HydrophobicContact CE2-CD2 4.1Å; F146-L150 HydrophobicContact CE2-CG 4.35Å; F146-L150 HydrophobicContact CZ-CD1 3.84Å; F146-L150 HydrophobicContact CZ-CD2 3.78Å; F146-L150 HydrophobicContact CZ-CG 4.01Å; N148-L150 PolarHBondContact O-N 3.43Å; N148-L150 VanDerWaalsContact O-N 3.08Å; L150-F263 HydrophobicContact CD2-CD1 4.03Å
151	R	84.9	Confident	92.8	Very high	123 Å²	123	62.9 Å²	62.9	46%	0.464	32%	0.324	S	S	.	.	S	Bend	trans	-118.1	144.1	-178.2	-55.3	177.3	-164.2	-169.1	1.5	109	D147 N148 C149 D153	D147-R151 PolarHBondContact O-NE 2.82Å; N148-R151 PolarHBondContact O-N 2.81Å; N148-R151 VanDerWaalsContact O-N 3.16Å; C149-R151 VanDerWaalsContact C-N 3.33Å; R151-D153 VanDerWaalsContact C-N 3.25Å; R151-D153 PolarHBondContact O-N 2.95Å
152	K	81.4	Confident	92.8	Very high	89 Å²	89	64.8 Å²	64.8	39%	0.387	33%	0.333	S	S	.	.	S	Bend	trans	-89	65.9	171.2	-68.3	-172.7	177.4	179.7	0	110.2	E115 Y262	E115-K152 WeakPolarHBondContact OE1-CD 3.38Å; E115-K152 IonicContact OE1-NZ 3.75Å; E115-K152 PolarHBondContact OE1-NZ 2.97Å; E115-K152 IonicContact OE2-NZ 2.8Å; E115-K152 PolarHBondContact OE2-NZ 3.09Å; K152-Y262 HydrophobicContact CD-CE1 4.36Å; K152-Y262 HydrophobicContact CD-CE2 4.22Å; K152-Y262 WeakPolarHBondContact CE-OH 3.25Å; K152-Y262 HydrophobicContact CG-CD1 4.28Å; K152-Y262 HydrophobicContact CG-CD2 3.47Å; K152-Y262 VanDerWaalsContact CG-CD2 3.47Å; K152-Y262 HydrophobicContact CG-CE1 4.19Å; K152-Y262 HydrophobicContact CG-CE2 3.36Å; K152-Y262 HydrophobicContact CG-CG 3.94Å
153	D	85.3	Confident	93	Very high	85 Å²	85	60 Å²	60	46%	0.455	31%	0.305	S	S	.	.	S	Bend	trans	-132.1	-164.2	173.3	64	27.3	0	0	0	110.3	R151 S155	R151-D153 VanDerWaalsContact C-N 3.25Å; R151-D153 PolarHBondContact O-N 2.95Å; D153-S155 PolarHBondContact O-N 3.08Å; D153-S155 WeakPolarHBondContact OD1-CA 3.21Å; D153-S155 WeakPolarHBondContact OD1-CB 3.33Å; D153-S155 PolarHBondContact OD1-N 3.07Å; D153-S155 PolarHBondContact OD1-OG 3.49Å
154	M	87	Confident	93.2	Very high	180 Å²	180	53.8 Å²	53.8	89%	0.887	28%	0.276	S	S	*	.	S	Bend	trans	-81.6	-2.2	-179.2	-65.2	-62.9	-56.8	0	0	113.3
155	S	93.5	Very high	93.3	Very high	28 Å²	28	51.5 Å²	51.5	20%	0.196	27%	0.265	C	S	.	.			trans	-76.7	155.7	175.4	73.8	0	0	0	0	110.6	N148 D153	N148-S155 WeakPolarHBondContact CA-OG 3.41Å; N148-S155 WeakPolarHBondContact CB-OG 3.4Å; N148-S155 PolarHBondContact O-OG 2.81Å; D153-S155 PolarHBondContact O-N 3.08Å; D153-S155 WeakPolarHBondContact OD1-CA 3.21Å; D153-S155 WeakPolarHBondContact OD1-CB 3.33Å; D153-S155 PolarHBondContact OD1-N 3.07Å; D153-S155 PolarHBondContact OD1-OG 3.49Å
156	F	96.5	Very high	93.5	Very high	46 Å²	46	50.7 Å²	50.7	20%	0.202	26%	0.257	C	S	.	.			trans	-147.3	159.5	-178.8	55.1	-90.3	0	0	0	110.2	H144 N148 E158 R259 I260	H144-F156 HydrophobicContact CB-CD2 4.2Å; H144-F156 HydrophobicContact CB-CE2 4.06Å; H144-F156 WeakPolarHBondContact CB-O 3.47Å; H144-F156 AromaticContact CD2-CE2 3.48Å; H144-F156 VanDerWaalsContact CD2-CE2 3.48Å; H144-F156 WeakPolarHBondContact CD2-CE2 3.1Å; H144-F156 AromaticContact CD2-CZ 3.68Å; H144-F156 AromaticContact CE1-CE1 3.88Å; H144-F156 AromaticContact CE1-CE2 3.88Å; H144-F156 AromaticContact CE1-CZ 3.43Å; H144-F156 VanDerWaalsContact CE1-CZ 3.43Å; H144-F156 WeakPolarHBondContact CE1-CZ 3.39Å; H144-F156 AromaticContact CG-CE2 3.49Å; H144-F156 VanDerWaalsContact CG-CE2 3.49Å; H144-F156 AromaticContact CG-CZ 3.88Å; H144-F156 AromaticContact ND1-CE2 3.74Å; H144-F156 AromaticContact ND1-CZ 3.73Å; H144-F156 AromaticContact NE2-CE2 3.73Å; H144-F156 AromaticContact NE2-CZ 3.37Å; H144-F156 WeakPolarHBondContact NE2-CZ 3.33Å; N148-F156 WeakPolarHBondContact CB-O 3.33Å; N148-F156 PolarHBondContact ND2-O 2.93Å; N148-F156 VanDerWaalsContact ND2-O 3.15Å; F156-E158 HydrophobicContact CD2-CB 4.04Å; F156-E158 HydrophobicContact CE2-CB 3.94Å; F156-R259 HydrophobicContact CD2-CG 4.29Å; F156-R259 HydrophobicContact CE2-CG 4.49Å; F156-I260 WeakPolarHBondContact CA-O 3.46Å
157	L	97.8	Very high	93.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	135	163.8	166	62.5	0	0	0	108.2	E140 H144 F146 C149 L165 I167 R259 I260	E140-L157 HydrophobicContact CB-CD1 3.75Å; H144-L157 WeakPolarHBondContact O-CA 3.35Å; H144-L157 WeakPolarHBondContact O-CD1 3.46Å; F146-L157 HydrophobicContact CD2-CD2 4.26Å; C149-L157 HydrophobicContact CB-CB 3.72Å; L157-L165 HydrophobicContact CD1-CD2 4.4Å; L157-L165 HydrophobicContact CD2-CD1 4.12Å; L157-L165 HydrophobicContact CG-CD1 4.19Å; L157-I167 HydrophobicContact CD2-CD1 3.81Å; L157-I167 HydrophobicContact CD2-CG1 4.32Å; L157-R259 CarbonylContact O-C 3.54Å; L157-R259 VanDerWaalsContact O-CA 3.28Å; L157-R259 WeakPolarHBondContact O-CA 3.25Å; L157-I260 HydrophobicContact CB-CB 4.35Å; L157-I260 HydrophobicContact CD2-CD1 4.03Å; L157-I260 PolarHBondContact N-O 3.39Å; L157-I260 PolarHBondContact O-N 3.12Å
158	E	98.2	Very high	93.9	Very high	24 Å²	24	47.4 Å²	47.4	11%	0.112	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.1	172	177.7	161.8	-141.8	0	0	110	S141 H144 F156 T257 T258 R259	S141-E158 WeakPolarHBondContact CB-O 3.23Å; S141-E158 PolarHBondContact N-O 2.81Å; H144-E158 HydrophobicContact CB-CB 3.87Å; H144-E158 IonicContact CD2-OE2 3.77Å; H144-E158 PolarHBondContact O-N 3.46Å; F156-E158 HydrophobicContact CD2-CB 4.04Å; F156-E158 HydrophobicContact CE2-CB 3.94Å; E158-T257 PolarHBondContact OE1-OG1 3.48Å; E158-T258 WeakPolarHBondContact CA-O 3.38Å; E158-R259 HydrophobicContact CB-CG 4.05Å; E158-R259 VanDerWaalsContact CD-NH2 3.3Å; E158-R259 HydrophobicContact CG-CG 3.99Å; E158-R259 IonicContact OE1-CZ 3.92Å; E158-R259 VanDerWaalsContact OE1-CZ 3.24Å; E158-R259 IonicContact OE1-NE 2.76Å; E158-R259 PolarHBondContact OE1-NE 3.36Å; E158-R259 IonicContact OE1-NH2 2.78Å; E158-R259 PolarHBondContact OE1-NH2 3.21Å; E158-R259 IonicContact OE2-CZ 2.69Å; E158-R259 IonicContact OE2-NE 3Å; E158-R259 PolarHBondContact OE2-NE 3.38Å; E158-R259 IonicContact OE2-NH2 3.82Å; E158-R259 PolarHBondContact OE2-NH2 3.15Å
159	S	98	Very high	94.1	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-77.2	147.4	172.6	65.2	0	0	0	0	112.5	N139 D162 T257 T258	N139-S159 CarbonylContact O-C 3.55Å; N139-S159 WeakPolarHBondContact O-CA 3.32Å; S159-D162 WeakPolarHBondContact CB-O 3.39Å; S159-D162 PolarHBondContact OG-O 3.17Å; S159-T257 WeakPolarHBondContact O-CG2 3.42Å; S159-T257 WeakPolarHBondContact OG-CA 3.49Å; S159-T257 WeakPolarHBondContact OG-CB 3.5Å; S159-T258 PolarHBondContact N-O 2.9Å; S159-T258 PolarHBondContact OG-N 2.89Å
160	D	96.3	Very high	94.3	Very high	101 Å²	101	46.6 Å²	46.6	54%	0.54	24%	0.239	S	C	.	.	S	Bend	trans	-90.3	-55.6	-171.5	-168.7	46.3	0	0	0	113.4	N139	N139-D160 PolarHBondContact O-N 2.78Å
161	C	93.9	Very high	94.5	Very high	103 Å²	103	47.1 Å²	47.1	70%	0.696	24%	0.241	S	C	*	.	S	Bend	trans	-95.1	-36.9	-170.2	-171.9	0	0	0	0	114.2	N139	N139-C161 WeakPolarHBondContact OD1-CB 3.29Å; N139-C161 PolarHBondContact OD1-N 2.76Å
162	D	96.3	Very high	94.8	Very high	58 Å²	58	46.1 Å²	46.1	31%	0.31	25%	0.245	S	C	.	.	S	Bend	trans	-154.3	-177.2	-175.5	60.6	33.7	0	0	0	109.2	N139 S159 Q164 E256	N139-D162 PolarHBondContact ND2-O 3.06Å; N139-D162 PolarHBondContact ND2-OD1 2.86Å; S159-D162 WeakPolarHBondContact CB-O 3.39Å; S159-D162 PolarHBondContact OG-O 3.17Å; D162-Q164 PolarHBondContact O-N 2.8Å; D162-Q164 VanDerWaalsContact OD1-CB 3.29Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.44Å; D162-Q164 PolarHBondContact OD1-N 3.27Å; D162-E256 CarbonylContact C-O 3.12Å; D162-E256 WeakPolarHBondContact CA-O 3.46Å
163	E	97.3	Very high	95.2	Very high	67 Å²	67	45.2 Å²	45.2	31%	0.313	24%	0.242	S	C	.	.	S	Bend	trans	-72.7	-8.4	-176.4	72	-86	-156.7	0	0	114.3	N251 E256 T258	E163-N251 WeakPolarHBondContact CB-ND2 3.27Å; E163-E256 PolarHBondContact N-O 2.99Å; E163-E256 VanDerWaalsContact N-O 3.08Å; E163-T258 VanDerWaalsContact O-CB 3.31Å; E163-T258 WeakPolarHBondContact O-CB 3.45Å; E163-T258 PolarHBondContact O-OG1 3.39Å
164	Q	98.3	Very high	95.7	Very high	30 Å²	30	43.1 Å²	43.1	14%	0.14	23%	0.233	C	C	.	.			trans	-81.3	137.4	-174.2	-60	-166.8	-10.4	0	0	111.6	N139 D162 F206 E210 F247 V248	N139-Q164 PolarHBondContact ND2-O 3Å; D162-Q164 PolarHBondContact O-N 2.8Å; D162-Q164 VanDerWaalsContact OD1-CB 3.29Å; D162-Q164 WeakPolarHBondContact OD1-CB 3.44Å; D162-Q164 PolarHBondContact OD1-N 3.27Å; Q164-F206 HydrophobicContact CB-CD1 4.15Å; Q164-F206 HydrophobicContact CB-CE1 3.87Å; Q164-E210 PolarHBondContact NE2-OE1 2.93Å; Q164-F247 HydrophobicContact CB-CE2 4.11Å; Q164-F247 HydrophobicContact CG-CE2 4.24Å; Q164-V248 VanDerWaalsContact CA-O 3.27Å; Q164-V248 WeakPolarHBondContact CA-O 3.34Å
165	L	98.4	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	141.1	171.7	-73.2	164.6	0	0	0	109.4	N139 L157 I167 F247 V248 T258 I260	N139-L165 WeakPolarHBondContact O-CD2 2.99Å; L157-L165 HydrophobicContact CD1-CD2 4.4Å; L157-L165 HydrophobicContact CD2-CD1 4.12Å; L157-L165 HydrophobicContact CG-CD1 4.19Å; L165-I167 HydrophobicContact CB-CG1 4.36Å; L165-F247 WeakPolarHBondContact O-CA 3.42Å; L165-V248 HydrophobicContact CB-CB 4.08Å; L165-V248 HydrophobicContact CB-CG2 4.2Å; L165-V248 PolarHBondContact N-O 3.47Å; L165-V248 VanDerWaalsContact N-O 3.09Å; L165-V248 PolarHBondContact O-N 3.42Å; L165-T258 HydrophobicContact CD1-CG2 4.26Å; L165-I260 HydrophobicContact CD1-CD1 3.93Å
166	L	98.2	Very high	96.2	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	107.3	171.8	-162.5	143.5	0	0	0	109.2	C137 L138 M204 F206 A209 T245 L246	C137-L166 CarbonylContact C-O 3.57Å; C137-L166 VanDerWaalsContact CA-O 3.3Å; C137-L166 WeakPolarHBondContact CA-O 3.06Å; L138-L166 HydrophobicContact CB-CB 4.09Å; L138-L166 HydrophobicContact CD1-CB 4.36Å; L138-L166 HydrophobicContact CD1-CD2 4.04Å; L138-L166 HydrophobicContact CG-CB 4.39Å; L138-L166 HydrophobicContact CG-CD2 4.33Å; L138-L166 PolarHBondContact N-O 2.82Å; L138-L166 PolarHBondContact O-N 2.83Å; L166-M204 HydrophobicContact CD1-CG 4.28Å; L166-M204 VanDerWaalsContact CD2-O 3.23Å; L166-M204 WeakPolarHBondContact CD2-O 3.3Å; L166-F206 HydrophobicContact CB-CD1 4.46Å; L166-F206 HydrophobicContact CB-CE1 3.86Å; L166-F206 HydrophobicContact CB-CZ 3.96Å; L166-A209 HydrophobicContact CD1-CB 3.94Å; L166-T245 HydrophobicContact CD2-CG2 3.65Å; L166-T245 HydrophobicContact CG-CG2 3.98Å; L166-L246 CarbonylContact C-O 3.52Å; L166-L246 WeakPolarHBondContact CA-O 3.32Å
167	I	98	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114	-172	-55.6	167.7	0	0	0	108.6	F146 L157 L165 V169 F182 T245 L246 I260	F146-I167 HydrophobicContact CD2-CG2 3.6Å; F146-I167 HydrophobicContact CE2-CG2 3.22Å; F146-I167 HydrophobicContact CZ-CG2 3.94Å; L157-I167 HydrophobicContact CD2-CD1 3.81Å; L157-I167 HydrophobicContact CD2-CG1 4.32Å; L165-I167 HydrophobicContact CB-CG1 4.36Å; I167-V169 HydrophobicContact CG2-CG2 4.16Å; I167-F182 HydrophobicContact CD1-CZ 4.39Å; I167-T245 CarbonylContact O-C 3.52Å; I167-T245 WeakPolarHBondContact O-CA 3.27Å; I167-L246 HydrophobicContact CB-CB 4.3Å; I167-L246 PolarHBondContact N-O 3.14Å; I167-L246 PolarHBondContact O-N 3.36Å; I167-I260 HydrophobicContact CD1-CD1 3.72Å
168	T	97.7	Very high	96	Very high	19 Å²	19	37.2 Å²	37.2	12%	0.117	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	122.5	173.5	-63.1	0	0	0	0	110.1	C135 E136 V244 T245	C135-T168 CarbonylContact C-O 3.54Å; C135-T168 WeakPolarHBondContact CA-O 3.16Å; C135-T168 WeakPolarHBondContact CB-O 3.5Å; E136-T168 PolarHBondContact N-O 2.85Å; E136-T168 PolarHBondContact O-N 2.84Å; T168-V244 CarbonylContact C-O 3.39Å; T168-V244 WeakPolarHBondContact CA-O 3.37Å; T168-T245 PolarHBondContact OG1-OG1 3.36Å; T168-T245 VanDerWaalsContact OG1-OG1 3.08Å
169	V	97.1	Very high	95.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	119.1	177.5	-175	0	0	0	0	109.1	I130 F146 I167 F171 S243 V244 F263 F265	I130-V169 HydrophobicContact CB-CG1 4.42Å; I130-V169 HydrophobicContact CD1-CG1 3.87Å; I130-V169 HydrophobicContact CG1-CG1 3.84Å; I130-V169 HydrophobicContact CG2-CG1 3.85Å; F146-V169 HydrophobicContact CZ-CG2 4.14Å; I167-V169 HydrophobicContact CG2-CG2 4.16Å; V169-F171 HydrophobicContact CG1-CZ 4.29Å; V169-S243 CarbonylContact O-C 3.58Å; V169-S243 WeakPolarHBondContact O-CA 3.21Å; V169-V244 PolarHBondContact N-O 2.78Å; V169-V244 PolarHBondContact O-N 2.86Å; V169-F263 HydrophobicContact CG2-CE1 3.6Å; V169-F263 HydrophobicContact CG2-CZ 3.88Å; V169-F265 HydrophobicContact CB-CE2 4.43Å; V169-F265 HydrophobicContact CG2-CE2 4.31Å
170	A	95.8	Very high	95.7	Very high	18 Å²	18	36 Å²	36	15%	0.149	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	145.5	170.1	0	0	0	0	0	110.7	N131 G134	N131-A170 HydrophobicContact CB-CB 4.11Å; N131-A170 PolarHBondContact N-O 3.11Å; G134-A170 WeakPolarHBondContact O-CB 3.5Å
171	F	95.4	Very high	95.6	Very high	15 Å²	15	31.8 Å²	31.8	7%	0.066	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144	172	-64.4	-80.6	0	0	0	111.2	L126 F129 I130 V169 Q173 V175 L177 V241 N242 V244 F265	L126-F171 HydrophobicContact CB-CE1 4.16Å; F129-F171 HydrophobicContact CB-CD1 4.05Å; F129-F171 CarbonylContact O-C 3.54Å; F129-F171 VanDerWaalsContact O-CA 3.26Å; F129-F171 WeakPolarHBondContact O-CA 3.4Å; I130-F171 HydrophobicContact CG1-CD1 4.13Å; I130-F171 HydrophobicContact CG1-CE1 3.79Å; V169-F171 HydrophobicContact CG1-CZ 4.29Å; F171-Q173 VanDerWaalsContact CB-O 3.27Å; F171-Q173 WeakPolarHBondContact CB-O 3.26Å; F171-Q173 PolarHBondContact O-N 2.93Å; F171-V175 HydrophobicContact CD1-CG1 4.14Å; F171-V175 HydrophobicContact CD1-CG2 3.98Å; F171-V175 HydrophobicContact CD2-CG2 3.67Å; F171-V175 HydrophobicContact CE1-CG2 4Å; F171-V175 HydrophobicContact CE2-CG2 3.68Å; F171-V175 HydrophobicContact CG-CG1 4.31Å; F171-V175 HydrophobicContact CG-CG2 3.82Å; F171-V175 HydrophobicContact CZ-CG2 3.85Å; F171-L177 HydrophobicContact CE2-CD2 4.35Å; F171-L177 HydrophobicContact CZ-CD2 4.06Å; F171-V241 HydrophobicContact CD2-CG1 4.45Å; F171-V241 HydrophobicContact CE2-CG1 4.23Å; F171-N242 PolarHBondContact N-O 2.87Å; F171-V244 HydrophobicContact CE2-CG2 3.93Å; F171-F265 AromaticContact CZ-CD2 3.68Å; F171-F265 HydrophobicContact CZ-CD2 3.68Å; F171-F265 HydrophobicContact CZ-CE2 4.25Å; F171-F265 HydrophobicContact CZ-CG 4.33Å
172	N	90.8	Very high	95.5	Very high	103 Å²	103	26.9 Å²	26.9	55%	0.551	14%	0.135	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.5	-16.2	176.1	-72.1	-38.9	0	0	0	113.2	F129 N131	F129-N172 PolarHBondContact O-N 3.17Å; N131-N172 WeakPolarHBondContact CB-OD1 3.44Å; N131-N172 VanDerWaalsContact CG-OD1 3.29Å
173	Q	89.8	Confident	95.5	Very high	70 Å²	70	25.3 Å²	25.3	33%	0.327	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	160.3	174.4	62	-179.5	26.1	0	0	109.9	F129 F171 V175	F129-Q173 HydrophobicContact CD1-CG 3.87Å; F129-Q173 VanDerWaalsContact CD1-NE2 3.32Å; F129-Q173 HydrophobicContact CE1-CG 4.41Å; F171-Q173 VanDerWaalsContact CB-O 3.27Å; F171-Q173 WeakPolarHBondContact CB-O 3.26Å; F171-Q173 PolarHBondContact O-N 2.93Å; Q173-V175 PolarHBondContact O-N 2.9Å
174	P	94.7	Very high	95.3	Very high	41 Å²	41	22.5 Å²	22.5	27%	0.266	12%	0.115	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.5	179.1	-19.3	30	0	0	0	112.6	N240 V241 N242 V270	P174-N240 WeakPolarHBondContact CB-OD1 3.38Å; P174-V241 WeakPolarHBondContact CA-O 3.36Å; P174-N242 VanDerWaalsContact CB-OD1 3.3Å; P174-N242 WeakPolarHBondContact CB-OD1 3.5Å; P174-N242 WeakPolarHBondContact CG-OD1 3.48Å; P174-V270 HydrophobicContact CB-CB 4.17Å; P174-V270 HydrophobicContact CB-CG2 3.83Å; P174-V270 WeakPolarHBondContact O-CG2 3.42Å; P174-V270 PolarHBondContact O-N 3.05Å
175	V	95.7	Very high	95.1	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	165.5	179.4	-60.3	0	0	0	0	112.5	L126 F129 F171 Q173 L177 V241 T268	L126-V175 HydrophobicContact CD1-CB 4.06Å; L126-V175 HydrophobicContact CD1-CG1 4.44Å; L126-V175 HydrophobicContact CD1-CG2 4.07Å; L126-V175 HydrophobicContact CD2-CG1 4.32Å; F129-V175 HydrophobicContact CB-CG1 4.21Å; F129-V175 HydrophobicContact CG-CG1 4.42Å; F171-V175 HydrophobicContact CD1-CG1 4.14Å; F171-V175 HydrophobicContact CD1-CG2 3.98Å; F171-V175 HydrophobicContact CD2-CG2 3.67Å; F171-V175 HydrophobicContact CE1-CG2 4Å; F171-V175 HydrophobicContact CE2-CG2 3.68Å; F171-V175 HydrophobicContact CG-CG1 4.31Å; F171-V175 HydrophobicContact CG-CG2 3.82Å; F171-V175 HydrophobicContact CZ-CG2 3.85Å; Q173-V175 PolarHBondContact O-N 2.9Å; V175-L177 HydrophobicContact CG2-CD2 3.59Å; V175-L177 HydrophobicContact CG2-CG 4.46Å; V175-V241 HydrophobicContact CG2-CB 4.18Å; V175-V241 WeakPolarHBondContact CG2-O 3.49Å; V175-V241 PolarHBondContact N-O 3.29Å; V175-V241 PolarHBondContact O-N 3.41Å; V175-T268 CarbonylContact C-O 3.55Å; V175-T268 WeakPolarHBondContact CA-O 3.43Å
176	K	95.4	Very high	94.7	Very high	50 Å²	50	29.7 Å²	29.7	22%	0.217	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.7	169.8	-52.6	-170.9	178.6	-177.8	0	108.4	Y235 F238 Q239 G267 T268 V270	K176-Y235 HydrophobicContact CB-CE2 3.87Å; K176-Y235 HydrophobicContact CD-CE2 4.25Å; K176-Y235 WeakPolarHBondContact CD-OH 3.46Å; K176-F238 CarbonylContact C-O 3.6Å; K176-F238 WeakPolarHBondContact CA-O 3.32Å; K176-Q239 WeakPolarHBondContact CG-O 3.45Å; K176-G267 CarbonylContact O-C 3.54Å; K176-G267 WeakPolarHBondContact O-CA 3.21Å; K176-T268 PolarHBondContact N-O 2.79Å; K176-T268 PolarHBondContact O-N 3.45Å; K176-V270 HydrophobicContact CG-CG2 3.91Å
177	L	96.1	Very high	94.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	126.5	-179.1	-47.1	-179.4	0	0	0	109.8	L126 F171 V175 L233 Y235 F238 V241 V244 F265	L126-L177 HydrophobicContact CD1-CD2 3.43Å; L126-L177 VanDerWaalsContact CD1-CD2 3.43Å; F171-L177 HydrophobicContact CE2-CD2 4.35Å; F171-L177 HydrophobicContact CZ-CD2 4.06Å; V175-L177 HydrophobicContact CG2-CD2 3.59Å; V175-L177 HydrophobicContact CG2-CG 4.46Å; L177-L233 HydrophobicContact CB-CD1 3.8Å; L177-L233 HydrophobicContact CD1-CD1 4.41Å; L177-Y235 WeakPolarHBondContact O-CD2 3.48Å; L177-F238 HydrophobicContact CB-CB 3.75Å; L177-F238 HydrophobicContact CB-CD1 4.45Å; L177-F238 HydrophobicContact CB-CG 4.2Å; L177-F238 HydrophobicContact CD1-CD1 3.97Å; L177-F238 HydrophobicContact CG-CB 4.22Å; L177-F238 PolarHBondContact N-O 2.83Å; L177-V241 HydrophobicContact CD1-CB 4.41Å; L177-V241 HydrophobicContact CD1-CG1 4.09Å; L177-V241 HydrophobicContact CD1-CG2 4.19Å; L177-V241 HydrophobicContact CG-CB 4.34Å; L177-V241 HydrophobicContact CG-CG2 4.08Å; L177-V244 HydrophobicContact CD1-CG2 3.52Å; L177-F265 HydrophobicContact CD1-CD1 3.94Å; L177-F265 HydrophobicContact CD1-CE1 4.02Å; L177-F265 HydrophobicContact CD1-CG 4.39Å; L177-F265 HydrophobicContact CD1-CZ 4.47Å; L177-F265 HydrophobicContact CD2-CB 3.97Å; L177-F265 HydrophobicContact CD2-CD1 4.25Å; L177-F265 HydrophobicContact CD2-CG 4.07Å
178	Y	94.1	Very high	94.3	Very high	80 Å²	80	34.4 Å²	34.4	31%	0.314	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	-47.5	178.8	177.6	-98.1	0	0	0	111.2	P120 Y123 L233 Y235 I266	P120-Y178 HydrophobicContact CG-CE1 3.99Å; Y123-Y178 HydrophobicContact CD1-CD2 4.49Å; Y123-Y178 HydrophobicContact CD1-CG 4.02Å; Y123-Y178 AromaticContact CD2-CD1 3.98Å; Y123-Y178 HydrophobicContact CD2-CD1 3.98Å; Y123-Y178 HydrophobicContact CD2-CE1 4.29Å; Y123-Y178 HydrophobicContact CD2-CG 4.1Å; Y123-Y178 AromaticContact CE1-CD2 3.73Å; Y123-Y178 HydrophobicContact CE1-CD2 3.73Å; Y123-Y178 AromaticContact CE1-CG 3.71Å; Y123-Y178 HydrophobicContact CE1-CG 3.71Å; Y123-Y178 AromaticContact CE2-CD1 3.91Å; Y123-Y178 HydrophobicContact CE2-CD1 3.91Å; Y123-Y178 AromaticContact CE2-CD2 3.78Å; Y123-Y178 HydrophobicContact CE2-CD2 3.78Å; Y123-Y178 HydrophobicContact CE2-CE1 4Å; Y123-Y178 AromaticContact CE2-CE2 3.86Å; Y123-Y178 HydrophobicContact CE2-CE2 3.86Å; Y123-Y178 AromaticContact CE2-CG 3.8Å; Y123-Y178 HydrophobicContact CE2-CG 3.8Å; Y123-Y178 AromaticContact CE2-CZ 3.97Å; Y123-Y178 HydrophobicContact CG-CD1 4.31Å; Y123-Y178 HydrophobicContact CG-CG 4.21Å; Y123-Y178 AromaticContact CZ-CD2 3.31Å; Y123-Y178 AromaticContact CZ-CE2 3.7Å; Y123-Y178 AromaticContact CZ-CG 3.59Å; Y123-Y178 VanDerWaalsContact OH-CD2 3.26Å; Y123-Y178 WeakPolarHBondContact OH-CD2 3.21Å; Y123-Y178 WeakPolarHBondContact OH-CE2 3.22Å; Y178-L233 WeakPolarHBondContact O-CA 3.27Å; Y178-L233 WeakPolarHBondContact O-CB 3.36Å; Y178-L233 PolarHBondContact O-N 2.81Å; Y178-Y235 HydrophobicContact CD2-CD2 4.23Å; Y178-Y235 HydrophobicContact CD2-CG 4.42Å; Y178-I266 PolarHBondContact N-O 2.7Å
179	S	95.1	Very high	94.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	176.9	176.7	53.6	0	0	0	0	110	I230 V231 I266	S179-I230 WeakPolarHBondContact OG-CG2 3.42Å; S179-V231 CarbonylContact C-O 3.57Å; S179-V231 WeakPolarHBondContact CA-O 2.94Å; S179-V231 WeakPolarHBondContact CB-O 3.42Å; S179-I266 PolarHBondContact N-O 2.92Å; S179-I266 VanDerWaalsContact N-O 3.12Å; S179-I266 PolarHBondContact O-N 2.72Å; S179-I266 VanDerWaalsContact O-O 3.08Å; S179-I266 WeakPolarHBondContact OG-CB 3.22Å
180	M	95.1	Very high	94.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154.4	169.7	61.2	-172.4	-78.6	0	0	109.9	F182 I196 L218 V231 L233 L246 F263 T264 F265	M180-F182 HydrophobicContact CE-CB 3.81Å; M180-F182 HydrophobicContact CE-CD1 4.25Å; M180-F182 HydrophobicContact CE-CD2 3.42Å; M180-F182 VanDerWaalsContact CE-CD2 3.42Å; M180-F182 HydrophobicContact CE-CE2 3.96Å; M180-F182 HydrophobicContact CE-CG 3.59Å; M180-I196 HydrophobicContact SD-CD1 4.04Å; M180-L218 HydrophobicContact SD-CD1 4.14Å; M180-V231 HydrophobicContact CG-CB 3.84Å; M180-V231 HydrophobicContact CG-CG1 4.34Å; M180-V231 PolarHBondContact N-O 2.82Å; M180-V231 PolarHBondContact O-N 2.63Å; M180-L233 HydrophobicContact CG-CD2 4.4Å; M180-L233 HydrophobicContact SD-CD2 4.18Å; M180-L246 HydrophobicContact CE-CD1 4Å; M180-L246 HydrophobicContact CE-CD2 4.49Å; M180-F263 HydrophobicContact CE-CD2 4.11Å; M180-F263 HydrophobicContact CE-CE2 3.84Å; M180-T264 CarbonylContact C-O 3.45Å; M180-T264 WeakPolarHBondContact CA-O 3.34Å; M180-T264 WeakPolarHBondContact CB-O 3.49Å; M180-F265 HydrophobicContact CB-CD1 3.75Å; M180-F265 HydrophobicContact CB-CE1 4Å; M180-F265 HydrophobicContact SD-CE1 4.09Å
181	K	93.6	Very high	94.4	Very high	12 Å²	12	33.6 Å²	33.6	5%	0.052	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.2	161.9	-65.8	-161.1	162.3	-162.8	0	107.6	D118 E227 G229 I230 F263 T264 I266	D118-K181 IonicContact OD2-NZ 3.3Å; D118-K181 PolarHBondContact OD2-NZ 2.81Å; K181-E227 PolarHBondContact NZ-O 3.11Å; K181-E227 VanDerWaalsContact NZ-O 3.14Å; K181-G229 WeakPolarHBondContact CG-O 3.35Å; K181-I230 HydrophobicContact CG-CG1 4.38Å; K181-F263 WeakPolarHBondContact O-CA 3.2Å; K181-T264 HydrophobicContact CB-CG2 4.05Å; K181-T264 HydrophobicContact CG-CG2 4.43Å; K181-T264 PolarHBondContact N-O 3.45Å; K181-T264 PolarHBondContact O-N 3Å; K181-T264 VanDerWaalsContact O-N 3.12Å; K181-I266 HydrophobicContact CG-CD1 3.99Å
182	F	93.2	Very high	94.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	87	-176.8	-148.4	-127.1	0	0	0	108.4	I167 M180 P191 V194 L220 I225 L246 V248 I260 F263	I167-F182 HydrophobicContact CD1-CZ 4.39Å; M180-F182 HydrophobicContact CE-CB 3.81Å; M180-F182 HydrophobicContact CE-CD1 4.25Å; M180-F182 HydrophobicContact CE-CD2 3.42Å; M180-F182 VanDerWaalsContact CE-CD2 3.42Å; M180-F182 HydrophobicContact CE-CE2 3.96Å; M180-F182 HydrophobicContact CE-CG 3.59Å; F182-P191 HydrophobicContact CD1-CB 3.85Å; F182-P191 HydrophobicContact CD1-CG 3.21Å; F182-P191 HydrophobicContact CE1-CB 3.53Å; F182-P191 HydrophobicContact CE1-CG 3.31Å; F182-P191 HydrophobicContact CG-CG 4.29Å; F182-P191 HydrophobicContact CZ-CG 4.45Å; F182-V194 HydrophobicContact CD1-CG2 4.46Å; F182-V194 HydrophobicContact CE1-CG2 4.04Å; F182-L220 HydrophobicContact CB-CD1 4.47Å; F182-L220 HydrophobicContact CD1-CD1 3.67Å; F182-L220 HydrophobicContact CE1-CD1 4.48Å; F182-I225 VanDerWaalsContact O-CA 3.27Å; F182-I225 WeakPolarHBondContact O-CA 3.26Å; F182-I225 WeakPolarHBondContact O-CB 3.41Å; F182-I225 WeakPolarHBondContact O-CG2 3.47Å; F182-L246 HydrophobicContact CE2-CD1 3.99Å; F182-L246 HydrophobicContact CZ-CD1 4.32Å; F182-V248 HydrophobicContact CE1-CG2 4.02Å; F182-V248 HydrophobicContact CZ-CG2 3.95Å; F182-I260 HydrophobicContact CD2-CG2 4.45Å; F182-I260 HydrophobicContact CE1-CD1 4.01Å; F182-I260 HydrophobicContact CE1-CG1 4.45Å; F182-I260 HydrophobicContact CE2-CD1 3.99Å; F182-I260 HydrophobicContact CE2-CG2 4.25Å; F182-I260 HydrophobicContact CZ-CD1 3.42Å; F182-I260 VanDerWaalsContact CZ-CD1 3.42Å; F182-I260 HydrophobicContact CZ-CG1 4.21Å; F182-F263 HydrophobicContact CD2-CB 3.88Å; F182-F263 AromaticContact CD2-CD2 3.38Å; F182-F263 HydrophobicContact CD2-CD2 3.38Å; F182-F263 HydrophobicContact CD2-CE2 4.14Å; F182-F263 AromaticContact CD2-CG 3.87Å; F182-F263 HydrophobicContact CD2-CG 3.87Å; F182-F263 HydrophobicContact CE2-CB 4.01Å; F182-F263 AromaticContact CE2-CD2 3.61Å; F182-F263 HydrophobicContact CE2-CD2 3.61Å; F182-F263 HydrophobicContact CE2-CE2 4.15Å; F182-F263 AromaticContact CE2-CG 3.83Å; F182-F263 HydrophobicContact CE2-CG 3.83Å
183	Q	94.8	Very high	94.9	Very high	24 Å²	24	34.8 Å²	34.8	11%	0.112	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	141	-170.3	-58.6	178.6	-4.1	0	0	110.8	I225 E227 I260 S261 Y262	Q183-I225 VanDerWaalsContact CA-O 3.25Å; Q183-I225 WeakPolarHBondContact CA-O 3.3Å; Q183-E227 PolarHBondContact NE2-O 2.77Å; Q183-I260 WeakPolarHBondContact O-CA 3.32Å; Q183-S261 VanDerWaalsContact C-OG 3.29Å; Q183-S261 WeakPolarHBondContact CB-OG 3.44Å; Q183-S261 PolarHBondContact O-N 3.46Å; Q183-S261 PolarHBondContact O-OG 2.89Å; Q183-Y262 HydrophobicContact CG-CD1 4.38Å; Q183-Y262 PolarHBondContact N-O 2.92Å; Q183-Y262 VanDerWaalsContact OE1-CB 3.3Å
184	G	94	Very high	95.3	Very high	9 Å²	9	31.5 Å²	31.5	9%	0.093	16%	0.16	C	C	.	.			trans	-139.2	170.2	177.7	0	0	0	0	0	111.4	I225	G184-I225 PolarHBondContact N-O 3.31Å; G184-I225 VanDerWaalsContact N-O 3.1Å
185	P	93.9	Very high	95.5	Very high	38 Å²	38	30.4 Å²	30.4	25%	0.247	15%	0.152	C	C	.	.			trans	-73.2	150.6	175.6	31.2	-36.5	0	0	0	112.5	N187 Q189 R259	P185-N187 WeakPolarHBondContact CB-OD1 3.35Å; P185-N187 WeakPolarHBondContact CG-OD1 3.28Å; P185-N187 PolarHBondContact O-N 2.94Å; P185-Q189 HydrophobicContact CG-CB 3.91Å; P185-R259 WeakPolarHBondContact CD-O 3.08Å; P185-R259 HydrophobicContact CG-CB 3.89Å
186	D	90.6	Very high	95.7	Very high	143 Å²	143	30.4 Å²	30.4	77%	0.765	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	14.4	177	-63.3	-27.7	0	0	0	113.8
187	N	93.6	Very high	95.8	Very high	82 Å²	82	28.3 Å²	28.3	44%	0.439	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.9	-177	71.8	-9.2	0	0	0	113.3	P185 Q189	P185-N187 WeakPolarHBondContact CB-OD1 3.35Å; P185-N187 WeakPolarHBondContact CG-OD1 3.28Å; P185-N187 PolarHBondContact O-N 2.94Å; N187-Q189 PolarHBondContact ND2-OE1 3.34Å; N187-Q189 WeakPolarHBondContact OD1-CB 3.49Å; N187-Q189 PolarHBondContact OD1-N 3.34Å; N187-Q189 VanDerWaalsContact OD1-N 3.15Å
188	G	94.9	Very high	95.9	Very high	17 Å²	17	29.8 Å²	29.8	18%	0.175	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	-16.2	-179.6	0	0	0	0	0	115	G190 Q252 G253	G188-G190 PolarHBondContact O-N 2.88Å; G188-Q252 PolarHBondContact O-N 2.87Å; G188-G253 PolarHBondContact O-N 3.1Å
189	Q	97.5	Very high	96	Very high	21 Å²	21	29.3 Å²	29.3	10%	0.098	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-3.6	179	-61.4	-178.5	-76.5	0	0	113.3	P185 N187 E255 T257 T258 R259	P185-Q189 HydrophobicContact CG-CB 3.91Å; N187-Q189 PolarHBondContact ND2-OE1 3.34Å; N187-Q189 WeakPolarHBondContact OD1-CB 3.49Å; N187-Q189 PolarHBondContact OD1-N 3.34Å; N187-Q189 VanDerWaalsContact OD1-N 3.15Å; Q189-E255 HydrophobicContact CG-CB 3.91Å; Q189-E255 HydrophobicContact CG-CG 3.86Å; Q189-T257 PolarHBondContact NE2-OG1 3.21Å; Q189-T258 CarbonylContact O-C 3.6Å; Q189-T258 VanDerWaalsContact O-CA 3.32Å; Q189-T258 WeakPolarHBondContact O-CA 3.35Å; Q189-T258 WeakPolarHBondContact O-CG2 3.33Å; Q189-R259 HydrophobicContact CB-CB 4.16Å; Q189-R259 HydrophobicContact CB-CG 4.22Å; Q189-R259 PolarHBondContact O-N 3.3Å; Q189-R259 VanDerWaalsContact OE1-CD 3.3Å
190	G	97.3	Very high	96.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-66.3	151.9	176.4	0	0	0	0	0	112.5	G188 N251 Q252	G188-G190 PolarHBondContact O-N 2.88Å; G190-N251 CarbonylContact O-C 3.56Å; G190-N251 WeakPolarHBondContact O-CA 3.21Å; G190-N251 WeakPolarHBondContact O-CB 3.3Å; G190-Q252 WeakPolarHBondContact O-CG 3.37Å; G190-Q252 PolarHBondContact O-N 2.89Å
191	P	97.8	Very high	95.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	144.9	-178.3	27.3	-34.9	0	0	0	112.5	F182 V194 L220 I225 V248 Q252 T258 I260	F182-P191 HydrophobicContact CD1-CB 3.85Å; F182-P191 HydrophobicContact CD1-CG 3.21Å; F182-P191 HydrophobicContact CE1-CB 3.53Å; F182-P191 HydrophobicContact CE1-CG 3.31Å; F182-P191 HydrophobicContact CG-CG 4.29Å; F182-P191 HydrophobicContact CZ-CG 4.45Å; P191-V194 HydrophobicContact CB-CG2 4.26Å; P191-L220 HydrophobicContact CB-CD1 4.32Å; P191-L220 HydrophobicContact CG-CD1 4.2Å; P191-I225 HydrophobicContact CG-CG2 4.32Å; P191-V248 HydrophobicContact CB-CG1 3.81Å; P191-Q252 PolarHBondContact O-NE2 3.01Å; P191-T258 HydrophobicContact CB-CG2 4.19Å; P191-I260 HydrophobicContact CG-CG1 4.37Å
192	K	98	Very high	95.7	Very high	63 Å²	63	44.1 Å²	44.1	27%	0.274	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	-69.5	179.4	-176.3	178.5	-170.7	167.9	0	112.3	L220 S250 N251	K192-L220 WeakPolarHBondContact O-CB 3.47Å; K192-L220 WeakPolarHBondContact O-CG 3.42Å; K192-L220 PolarHBondContact O-N 3Å; K192-S250 PolarHBondContact N-O 2.91Å; K192-N251 VanDerWaalsContact CB-C 3.42Å; K192-N251 VanDerWaalsContact CB-O 3.29Å; K192-N251 WeakPolarHBondContact CB-O 3.28Å; K192-N251 WeakPolarHBondContact CD-O 2.97Å
193	Y	98.3	Very high	95.5	Very high	80 Å²	80	47.7 Å²	47.7	31%	0.314	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.4	-179.3	-161.8	-97.6	0	0	0	110.5	K195 L218 E219 Q249 S250	Y193-K195 HydrophobicContact CE1-CG 4.03Å; Y193-L218 WeakPolarHBondContact CA-O 3.43Å; Y193-E219 HydrophobicContact CD2-CB 4.24Å; Y193-Q249 HydrophobicContact CD1-CB 4.03Å; Y193-Q249 VanDerWaalsContact CE1-OE1 3.31Å; Y193-Q249 PolarHBondContact O-N 3.37Å; Y193-S250 WeakPolarHBondContact CB-OG 3.05Å; Y193-S250 PolarHBondContact N-O 2.68Å; Y193-S250 PolarHBondContact N-OG 2.66Å
194	V	98.5	Very high	95.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.3	-176.1	-173.1	0	0	0	0	110.4	F182 P191 L218 L220 L246 F247 V248	F182-V194 HydrophobicContact CD1-CG2 4.46Å; F182-V194 HydrophobicContact CE1-CG2 4.04Å; P191-V194 HydrophobicContact CB-CG2 4.26Å; V194-L218 HydrophobicContact CB-CB 4.49Å; V194-L218 PolarHBondContact N-O 2.74Å; V194-L218 PolarHBondContact O-N 2.84Å; V194-L220 HydrophobicContact CG2-CD1 3.85Å; V194-L220 HydrophobicContact CG2-CG 4.4Å; V194-L246 HydrophobicContact CG1-CB 4.32Å; V194-L246 HydrophobicContact CG1-CD2 4.4Å; V194-F247 CarbonylContact C-O 3.38Å; V194-F247 WeakPolarHBondContact CA-O 3.15Å; V194-V248 HydrophobicContact CG1-CG2 4.49Å; V194-V248 HydrophobicContact CG2-CG1 4.49Å; V194-V248 HydrophobicContact CG2-CG2 4.32Å
195	K	98.7	Very high	95.6	Very high	19 Å²	19	50.2 Å²	50.2	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	134.2	171.6	-69.6	-168.2	-169	173.1	0	110.3	Y193 F197 A209 E210 P214 L246 F247	Y193-K195 HydrophobicContact CE1-CG 4.03Å; K195-F197 HydrophobicContact CB-CE2 3.71Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 HydrophobicContact CD-CE2 4.45Å; K195-F197 HydrophobicContact CD-CZ 4.18Å; K195-A209 PolarHBondContact NZ-O 2.83Å; K195-E210 PolarHBondContact NZ-O 3.21Å; K195-P214 HydrophobicContact CB-CB 3.92Å; K195-P214 HydrophobicContact CB-CG 4.26Å; K195-P214 HydrophobicContact CD-CB 4.39Å; K195-P214 HydrophobicContact CD-CG 4.1Å; K195-P214 HydrophobicContact CG-CB 4.27Å; K195-P214 HydrophobicContact CG-CG 4.05Å; K195-L246 CarbonylContact O-C 3.57Å; K195-L246 WeakPolarHBondContact O-CA 3.35Å; K195-F247 HydrophobicContact CB-CB 4.25Å; K195-F247 HydrophobicContact CB-CD1 4.28Å; K195-F247 HydrophobicContact CD-CD1 4.13Å; K195-F247 HydrophobicContact CG-CD1 4.4Å; K195-F247 PolarHBondContact N-O 3.09Å; K195-F247 PolarHBondContact O-N 3.4Å
196	I	98.6	Very high	95.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.2	-179.1	-50.9	-177.1	0	0	0	109.7	M180 P214 T215 Q216 L218 L233 F238 V244 L246	M180-I196 HydrophobicContact SD-CD1 4.04Å; I196-P214 CarbonylContact O-C 3.58Å; I196-P214 WeakPolarHBondContact O-CB 3.47Å; I196-T215 WeakPolarHBondContact O-CA 3.46Å; I196-T215 WeakPolarHBondContact O-CB 3.18Å; I196-T215 PolarHBondContact O-N 2.86Å; I196-Q216 WeakPolarHBondContact CB-O 3.37Å; I196-Q216 PolarHBondContact N-O 3.39Å; I196-Q216 PolarHBondContact O-N 3.26Å; I196-L218 HydrophobicContact CD1-CD1 3.47Å; I196-L218 VanDerWaalsContact CD1-CD1 3.47Å; I196-L218 HydrophobicContact CD1-CG 4.18Å; I196-L218 HydrophobicContact CG1-CD1 4.26Å; I196-L233 HydrophobicContact CD1-CD2 3.46Å; I196-L233 VanDerWaalsContact CD1-CD2 3.46Å; I196-F238 HydrophobicContact CG2-CE1 3.79Å; I196-F238 HydrophobicContact CG2-CZ 4.08Å; I196-V244 HydrophobicContact CG2-CG1 3.67Å; I196-L246 HydrophobicContact CB-CD2 4.23Å; I196-L246 HydrophobicContact CD1-CD2 4.15Å; I196-L246 HydrophobicContact CG1-CD2 3.66Å; I196-L246 HydrophobicContact CG2-CD2 4Å
197	F	98.6	Very high	96	Very high	6 Å²	6	50.4 Å²	50.4	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.4	173.2	-54.5	-92.9	0	0	0	109.3	K195 L200 M204 A209 P214 V244 T245 F247	K195-F197 HydrophobicContact CB-CE2 3.71Å; K195-F197 HydrophobicContact CB-CZ 4.16Å; K195-F197 HydrophobicContact CD-CE2 4.45Å; K195-F197 HydrophobicContact CD-CZ 4.18Å; F197-L200 HydrophobicContact CB-CD1 3.82Å; F197-L200 HydrophobicContact CB-CD2 4.12Å; F197-L200 HydrophobicContact CB-CG 4.05Å; F197-L200 HydrophobicContact CG-CD1 4.46Å; F197-M204 HydrophobicContact CD1-CE 3.75Å; F197-M204 HydrophobicContact CD1-SD 4.22Å; F197-M204 HydrophobicContact CD2-CE 4.31Å; F197-M204 HydrophobicContact CD2-SD 3.69Å; F197-M204 HydrophobicContact CE1-CE 3.91Å; F197-M204 HydrophobicContact CE1-SD 4.27Å; F197-M204 HydrophobicContact CE2-CE 4.46Å; F197-M204 HydrophobicContact CE2-SD 3.76Å; F197-M204 HydrophobicContact CG-CE 3.96Å; F197-M204 HydrophobicContact CG-SD 3.93Å; F197-M204 HydrophobicContact CZ-CE 4.27Å; F197-M204 HydrophobicContact CZ-SD 4.06Å; F197-A209 HydrophobicContact CE2-CB 4.39Å; F197-P214 HydrophobicContact CD1-CB 4.35Å; F197-P214 VanDerWaalsContact CE1-CA 3.47Å; F197-P214 HydrophobicContact CE1-CB 3.94Å; F197-P214 HydrophobicContact CE2-CB 4.34Å; F197-P214 HydrophobicContact CZ-CB 3.93Å; F197-V244 CarbonylContact O-C 3.54Å; F197-V244 WeakPolarHBondContact O-CA 3.18Å; F197-T245 PolarHBondContact N-O 2.82Å; F197-T245 PolarHBondContact O-N 3.34Å; F197-F247 HydrophobicContact CE2-CB 4.32Å
198	I	98.3	Very high	96.2	Very high	31 Å²	31	48.9 Å²	48.9	16%	0.159	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	150.5	178.3	62.1	174.7	0	0	0	111.7	L200 T215 K237 F238 V241 S243 V244	I198-L200 PolarHBondContact O-N 2.83Å; I198-T215 HydrophobicContact CD1-CG2 4.07Å; I198-T215 HydrophobicContact CG1-CG2 4.17Å; I198-K237 WeakPolarHBondContact CD1-O 3.45Å; I198-F238 HydrophobicContact CD1-CD1 4.18Å; I198-F238 HydrophobicContact CG2-CD1 3.68Å; I198-F238 HydrophobicContact CG2-CE1 3.56Å; I198-V241 HydrophobicContact CB-CG1 4.23Å; I198-V241 HydrophobicContact CD1-CG2 4.16Å; I198-V241 HydrophobicContact CG2-CG1 4.02Å; I198-V241 HydrophobicContact CG2-CG2 4.37Å; I198-S243 VanDerWaalsContact CA-O 3.3Å; I198-S243 WeakPolarHBondContact CA-O 3.42Å; I198-V244 HydrophobicContact CG2-CG1 4.48Å; I198-V244 HydrophobicContact CG2-CG2 4.08Å
199	N	96.8	Very high	96.3	Very high	69 Å²	69	48.1 Å²	48.1	37%	0.369	24%	0.24	S	C	.	.	S	Bend	trans	52.2	39.2	171.8	-57.1	-32.4	0	0	0	113.3	N240 N242 S243	N199-N240 PolarHBondContact ND2-O 3.33Å; N199-N242 PolarHBondContact OD1-N 3.36Å; N199-S243 PolarHBondContact N-O 2.92Å; N199-S243 PolarHBondContact OD1-N 2.65Å
200	L	95.9	Very high	96.2	Very high	47 Å²	47	51.4 Å²	51.4	25%	0.246	26%	0.255	C	S	.	.			trans	-64.5	139.3	178.1	-64.7	179.8	0	0	0	110.1	F197 I198 R202 M204	F197-L200 HydrophobicContact CB-CD1 3.82Å; F197-L200 HydrophobicContact CB-CD2 4.12Å; F197-L200 HydrophobicContact CB-CG 4.05Å; F197-L200 HydrophobicContact CG-CD1 4.46Å; I198-L200 PolarHBondContact O-N 2.83Å; L200-R202 PolarHBondContact O-N 3.26Å; L200-M204 HydrophobicContact CD1-CB 3.79Å; L200-M204 HydrophobicContact CD1-CE 3.5Å; L200-M204 VanDerWaalsContact CD1-CE 3.5Å; L200-M204 HydrophobicContact CD1-CG 4.42Å; L200-M204 HydrophobicContact CD1-SD 3.83Å; L200-M204 HydrophobicContact CD2-CE 4.03Å; L200-M204 HydrophobicContact CG-CE 4.44Å
201	P	89.6	Confident	96.1	Very high	132 Å²	132	60.9 Å²	60.9	86%	0.857	29%	0.291	S	S	*	.	S	Bend	trans	-75.4	-14.4	-176.2	30.5	-35.5	0	0	0	113.4
202	R	90.3	Very high	96.1	Very high	145 Å²	145	62.8 Å²	62.8	55%	0.547	31%	0.305	S	S	.	.	S	Bend	trans	-150.6	165.6	179.9	59.7	179.2	-179.1	81.1	-0.6	109.1	L200 E208	L200-R202 PolarHBondContact O-N 3.26Å; R202-E208 IonicContact CZ-OE1 3.24Å; R202-E208 IonicContact CZ-OE2 3.77Å; R202-E208 IonicContact NH1-OE1 2.69Å; R202-E208 IonicContact NH1-OE2 2.68Å; R202-E208 PolarHBondContact NH1-OE2 3.19Å; R202-E208 IonicContact NH2-OE1 2.77Å; R202-E208 PolarHBondContact NH2-OE1 3.07Å; R202-E208 IonicContact NH2-OE2 2.84Å; R202-E208 PolarHBondContact NH2-OE2 2.83Å
203	S	90.4	Very high	96	Very high	75 Å²	75	68.1 Å²	68.1	52%	0.524	33%	0.331	S	S	.	.			trans	-58.8	144.5	169.9	49.7	0	0	0	0	110.5
204	M	94.3	Very high	96	Very high	7 Å²	7	65.5 Å²	65.5	3%	0.034	32%	0.323	C	S	.	.			trans	-105.9	139	180	177.8	173.6	-85.9	0	0	108.4	L166 F197 L200 E208 A209 T245	L166-M204 HydrophobicContact CD1-CG 4.28Å; L166-M204 VanDerWaalsContact CD2-O 3.23Å; L166-M204 WeakPolarHBondContact CD2-O 3.3Å; F197-M204 HydrophobicContact CD1-CE 3.75Å; F197-M204 HydrophobicContact CD1-SD 4.22Å; F197-M204 HydrophobicContact CD2-CE 4.31Å; F197-M204 HydrophobicContact CD2-SD 3.69Å; F197-M204 HydrophobicContact CE1-CE 3.91Å; F197-M204 HydrophobicContact CE1-SD 4.27Å; F197-M204 HydrophobicContact CE2-CE 4.46Å; F197-M204 HydrophobicContact CE2-SD 3.76Å; F197-M204 HydrophobicContact CG-CE 3.96Å; F197-M204 HydrophobicContact CG-SD 3.93Å; F197-M204 HydrophobicContact CZ-CE 4.27Å; F197-M204 HydrophobicContact CZ-SD 4.06Å; L200-M204 HydrophobicContact CD1-CB 3.79Å; L200-M204 HydrophobicContact CD1-CE 3.5Å; L200-M204 VanDerWaalsContact CD1-CE 3.5Å; L200-M204 HydrophobicContact CD1-CG 4.42Å; L200-M204 HydrophobicContact CD1-SD 3.83Å; L200-M204 HydrophobicContact CD2-CE 4.03Å; L200-M204 HydrophobicContact CG-CE 4.44Å; M204-E208 HydrophobicContact CE-CG 4.03Å; M204-E208 HydrophobicContact CG-CB 4.1Å; M204-E208 HydrophobicContact CG-CG 4.19Å; M204-A209 HydrophobicContact CG-CB 4.05Å; M204-A209 HydrophobicContact SD-CB 3.8Å; M204-T245 HydrophobicContact CB-CG2 4.45Å; M204-T245 HydrophobicContact SD-CG2 4.45Å
205	D	96.3	Very high	96	Very high	79 Å²	79	67.1 Å²	67.1	42%	0.422	33%	0.333	S	S	.	.			trans	-101.9	174.4	172.6	59.6	35.7	0	0	0	111.1	E207 E208 A209	D205-E207 PolarHBondContact O-N 3.27Å; D205-E207 PolarHBondContact OD1-N 3.37Å; D205-E208 PolarHBondContact O-N 3.26Å; D205-E208 WeakPolarHBondContact OD1-CB 3.46Å; D205-E208 PolarHBondContact OD1-N 3.06Å; D205-A209 WeakPolarHBondContact O-CB 3.5Å; D205-A209 PolarHBondContact O-N 2.87Å
206	F	97.3	Very high	96	Very high	55 Å²	55	67 Å²	67	24%	0.241	33%	0.333	C	S	.	.	H	α-helix	trans	-62.1	-41.3	-178.5	-66.1	-80.3	0	0	0	112.6	L138 N139 Q164 L166 E208 A209 E210 F247	L138-F206 HydrophobicContact CB-CE2 3.72Å; L138-F206 HydrophobicContact CB-CZ 3.78Å; L138-F206 HydrophobicContact CD1-CE2 4.25Å; N139-F206 HydrophobicContact CB-CE2 4.37Å; N139-F206 HydrophobicContact CB-CZ 3.74Å; Q164-F206 HydrophobicContact CB-CD1 4.15Å; Q164-F206 HydrophobicContact CB-CE1 3.87Å; L166-F206 HydrophobicContact CB-CD1 4.46Å; L166-F206 HydrophobicContact CB-CE1 3.86Å; L166-F206 HydrophobicContact CB-CZ 3.96Å; F206-E208 PolarHBondContact O-N 3.16Å; F206-A209 PolarHBondContact O-N 3.21Å; F206-E210 WeakPolarHBondContact O-CG 3.4Å; F206-E210 PolarHBondContact O-N 3.1Å; F206-F247 HydrophobicContact CD1-CD2 4.2Å; F206-F247 AromaticContact CD1-CE2 3.74Å; F206-F247 HydrophobicContact CD1-CE2 3.74Å; F206-F247 HydrophobicContact CE1-CD2 4.48Å; F206-F247 HydrophobicContact CE1-CE2 4.25Å
207	E	96.3	Very high	96	Very high	130 Å²	130	69 Å²	69	61%	0.607	35%	0.349	S	S	*	.	H	α-helix	trans	-63.5	-41.4	179.2	-69.8	-167.1	-168.5	0	0	112.1	D205 R211	D205-E207 PolarHBondContact O-N 3.27Å; D205-E207 PolarHBondContact OD1-N 3.37Å; E207-R211 WeakPolarHBondContact O-CG 3.12Å; E207-R211 PolarHBondContact O-N 2.97Å
208	E	96.5	Very high	95.9	Very high	51 Å²	51	69.5 Å²	69.5	24%	0.238	35%	0.352	C	S	.	.	H	α-helix	trans	-67.6	-44.8	175.8	-172.8	171.6	-161.1	0	0	110.8	R202 M204 D205 F206 E210 R211 S212	R202-E208 IonicContact CZ-OE1 3.24Å; R202-E208 IonicContact CZ-OE2 3.77Å; R202-E208 IonicContact NH1-OE1 2.69Å; R202-E208 IonicContact NH1-OE2 2.68Å; R202-E208 PolarHBondContact NH1-OE2 3.19Å; R202-E208 IonicContact NH2-OE1 2.77Å; R202-E208 PolarHBondContact NH2-OE1 3.07Å; R202-E208 IonicContact NH2-OE2 2.84Å; R202-E208 PolarHBondContact NH2-OE2 2.83Å; M204-E208 HydrophobicContact CE-CG 4.03Å; M204-E208 HydrophobicContact CG-CB 4.1Å; M204-E208 HydrophobicContact CG-CG 4.19Å; D205-E208 PolarHBondContact O-N 3.26Å; D205-E208 WeakPolarHBondContact OD1-CB 3.46Å; D205-E208 PolarHBondContact OD1-N 3.06Å; F206-E208 PolarHBondContact O-N 3.16Å; E208-E210 VanDerWaalsContact C-N 3.29Å; E208-E210 PolarHBondContact O-N 2.63Å; E208-R211 PolarHBondContact O-N 3.13Å; E208-S212 WeakPolarHBondContact O-CB 3.29Å; E208-S212 PolarHBondContact O-N 2.74Å; E208-S212 PolarHBondContact O-OG 3.22Å; E208-S212 VanDerWaalsContact O-OG 3.04Å
209	A	96.9	Very high	95.9	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.7	-34	178.8	0	0	0	0	0	113.3	L166 K195 F197 M204 D205 F206 F247	L166-A209 HydrophobicContact CD1-CB 3.94Å; K195-A209 PolarHBondContact NZ-O 2.83Å; F197-A209 HydrophobicContact CE2-CB 4.39Å; M204-A209 HydrophobicContact CG-CB 4.05Å; M204-A209 HydrophobicContact SD-CB 3.8Å; D205-A209 WeakPolarHBondContact O-CB 3.5Å; D205-A209 PolarHBondContact O-N 2.87Å; F206-A209 PolarHBondContact O-N 3.21Å; A209-F247 HydrophobicContact CB-CB 3.85Å; A209-F247 HydrophobicContact CB-CD1 3.62Å; A209-F247 HydrophobicContact CB-CD2 4.16Å; A209-F247 HydrophobicContact CB-CE1 4.17Å; A209-F247 HydrophobicContact CB-CG 3.61Å
210	E	95.9	Very high	96	Very high	90 Å²	90	71.8 Å²	71.8	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-67.2	-41.6	175.2	-79	-169.9	165.8	0	0	112.6	Q164 K195 F206 E208 F247	Q164-E210 PolarHBondContact NE2-OE1 2.93Å; K195-E210 PolarHBondContact NZ-O 3.21Å; F206-E210 WeakPolarHBondContact O-CG 3.4Å; F206-E210 PolarHBondContact O-N 3.1Å; E208-E210 VanDerWaalsContact C-N 3.29Å; E208-E210 PolarHBondContact O-N 2.63Å; E210-F247 HydrophobicContact CG-CE1 3.98Å; E210-F247 HydrophobicContact CG-CZ 3.98Å
211	R	95.8	Very high	96	Very high	199 Å²	199	72.8 Å²	72.8	75%	0.751	37%	0.369	S	S	*	.	H	α-helix	trans	-91.7	-27.6	-171	-63.1	175.8	-173.6	-176.5	9.9	113.7	E207 E208	E207-R211 WeakPolarHBondContact O-CG 3.12Å; E207-R211 PolarHBondContact O-N 2.97Å; E208-R211 PolarHBondContact O-N 3.13Å
212	S	96	Very high	96.3	Very high	40 Å²	40	72.8 Å²	72.8	28%	0.28	36%	0.357	S	S	.	.	S	Bend	trans	-75.1	146	-178.2	-68.1	0	0	0	0	112.4	E208 P214	E208-S212 WeakPolarHBondContact O-CB 3.29Å; E208-S212 PolarHBondContact O-N 2.74Å; E208-S212 PolarHBondContact O-OG 3.22Å; E208-S212 VanDerWaalsContact O-OG 3.04Å; S212-P214 WeakPolarHBondContact O-CD 3.26Å
213	E	97.4	Very high	96.5	Very high	176 Å²	176	70.9 Å²	70.9	82%	0.822	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-74.9	123.3	171.1	-171.7	-178	174.4	0	0	109.5
214	P	98.3	Very high	96.7	Very high	24 Å²	24	69.2 Å²	69.2	16%	0.156	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-76	157.2	179	32	-35	0	0	0	111.7	K195 I196 F197 S212 Q216 A217	K195-P214 HydrophobicContact CB-CB 3.92Å; K195-P214 HydrophobicContact CB-CG 4.26Å; K195-P214 HydrophobicContact CD-CB 4.39Å; K195-P214 HydrophobicContact CD-CG 4.1Å; K195-P214 HydrophobicContact CG-CB 4.27Å; K195-P214 HydrophobicContact CG-CG 4.05Å; I196-P214 CarbonylContact O-C 3.58Å; I196-P214 WeakPolarHBondContact O-CB 3.47Å; F197-P214 HydrophobicContact CD1-CB 4.35Å; F197-P214 VanDerWaalsContact CE1-CA 3.47Å; F197-P214 HydrophobicContact CE1-CB 3.94Å; F197-P214 HydrophobicContact CE2-CB 4.34Å; F197-P214 HydrophobicContact CZ-CB 3.93Å; S212-P214 WeakPolarHBondContact O-CD 3.26Å; P214-Q216 PolarHBondContact O-N 2.77Å; P214-A217 HydrophobicContact CG-CB 3.92Å
215	T	98.4	Very high	96.7	Very high	34 Å²	34	69 Å²	69	21%	0.209	34%	0.342	C	S	.	.	S	Bend	trans	-59.1	-40	167.9	-59.3	0	0	0	0	110.1	I196 I198 K237 F238	I196-T215 WeakPolarHBondContact O-CA 3.46Å; I196-T215 WeakPolarHBondContact O-CB 3.18Å; I196-T215 PolarHBondContact O-N 2.86Å; I198-T215 HydrophobicContact CD1-CG2 4.07Å; I198-T215 HydrophobicContact CG1-CG2 4.17Å; T215-K237 HydrophobicContact CG2-CB 3.9Å; T215-K237 HydrophobicContact CG2-CD 4Å; T215-K237 WeakPolarHBondContact O-CD 3.2Å; T215-K237 WeakPolarHBondContact O-CE 3.3Å; T215-K237 PolarHBondContact O-NZ 2.9Å; T215-F238 HydrophobicContact CG2-CE1 3.84Å; T215-F238 HydrophobicContact CG2-CE2 4.32Å; T215-F238 HydrophobicContact CG2-CZ 3.71Å
216	Q	98.3	Very high	96.5	Very high	16 Å²	16	68.8 Å²	68.8	8%	0.075	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	136.9	169.5	179.8	166.9	-23.4	0	0	110	I196 P214 L218 P232 R234 F238	I196-Q216 WeakPolarHBondContact CB-O 3.37Å; I196-Q216 PolarHBondContact N-O 3.39Å; I196-Q216 PolarHBondContact O-N 3.26Å; P214-Q216 PolarHBondContact O-N 2.77Å; Q216-L218 HydrophobicContact CG-CD2 4.22Å; Q216-L218 HydrophobicContact CG-CG 4.38Å; Q216-P232 PolarHBondContact NE2-O 3.47Å; Q216-R234 VanDerWaalsContact OE1-CB 3.31Å; Q216-F238 HydrophobicContact CB-CE2 4.17Å; Q216-F238 HydrophobicContact CB-CZ 3.89Å
217	A	98.2	Very high	96	Very high	42 Å²	42	73.5 Å²	73.5	35%	0.347	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.1	164.7	0	0	0	0	0	109.2	P214	P214-A217 HydrophobicContact CG-CB 3.92Å
218	L	97.7	Very high	95.5	Very high	18 Å²	18	72.6 Å²	72.6	9%	0.094	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.1	180	-66.3	171.5	0	0	0	109.1	M180 Y193 V194 I196 Q216 L220 V231 L233	M180-L218 HydrophobicContact SD-CD1 4.14Å; Y193-L218 WeakPolarHBondContact CA-O 3.43Å; V194-L218 HydrophobicContact CB-CB 4.49Å; V194-L218 PolarHBondContact N-O 2.74Å; V194-L218 PolarHBondContact O-N 2.84Å; I196-L218 HydrophobicContact CD1-CD1 3.47Å; I196-L218 VanDerWaalsContact CD1-CD1 3.47Å; I196-L218 HydrophobicContact CD1-CG 4.18Å; I196-L218 HydrophobicContact CG1-CD1 4.26Å; Q216-L218 HydrophobicContact CG-CD2 4.22Å; Q216-L218 HydrophobicContact CG-CG 4.38Å; L218-L220 HydrophobicContact CB-CD2 4.11Å; L218-L220 HydrophobicContact CD1-CD2 4.36Å; L218-V231 HydrophobicContact CD1-CG1 3.71Å; L218-V231 HydrophobicContact CD2-CG1 3.96Å; L218-V231 HydrophobicContact CG-CG1 4.41Å; L218-L233 HydrophobicContact CD1-CD2 4.11Å
219	E	97.9	Very high	95.2	Very high	142 Å²	142	70.4 Å²	70.4	66%	0.664	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	100.5	166	-173.8	173.4	-172.3	0	0	106.1	Y193	Y193-E219 HydrophobicContact CD2-CB 4.24Å
220	L	97.6	Very high	94.9	Very high	5 Å²	5	72.9 Å²	72.9	3%	0.026	36%	0.363	C	S	.	.			trans	-78.2	139	-176.9	-54.6	-179.6	0	0	0	109.6	F182 P191 K192 V194 L218 D224 I225 V231 Q252	F182-L220 HydrophobicContact CB-CD1 4.47Å; F182-L220 HydrophobicContact CD1-CD1 3.67Å; F182-L220 HydrophobicContact CE1-CD1 4.48Å; P191-L220 HydrophobicContact CB-CD1 4.32Å; P191-L220 HydrophobicContact CG-CD1 4.2Å; K192-L220 WeakPolarHBondContact O-CB 3.47Å; K192-L220 WeakPolarHBondContact O-CG 3.42Å; K192-L220 PolarHBondContact O-N 3Å; V194-L220 HydrophobicContact CG2-CD1 3.85Å; V194-L220 HydrophobicContact CG2-CG 4.4Å; L218-L220 HydrophobicContact CB-CD2 4.11Å; L218-L220 HydrophobicContact CD1-CD2 4.36Å; L220-D224 HydrophobicContact CB-CB 4.34Å; L220-D224 HydrophobicContact CD2-CB 4.44Å; L220-I225 HydrophobicContact CB-CG2 4.23Å; L220-I225 HydrophobicContact CD1-CG2 4.18Å; L220-V231 HydrophobicContact CD2-CB 4.29Å; L220-V231 HydrophobicContact CD2-CG1 3.62Å; L220-V231 HydrophobicContact CD2-CG2 3.65Å; L220-Q252 PolarHBondContact O-NE2 3.24Å
221	T	96.8	Very high	94.9	Very high	69 Å²	69	68.8 Å²	68.8	42%	0.423	35%	0.345	S	S	.	.			trans	-93.5	167.9	171.3	65.9	0	0	0	0	111.1	D223 D224 I225	T221-D223 PolarHBondContact O-N 2.92Å; T221-D223 PolarHBondContact OG1-N 2.7Å; T221-D224 WeakPolarHBondContact CB-OD2 3.3Å; T221-D224 PolarHBondContact N-OD2 2.8Å; T221-D224 WeakPolarHBondContact O-CB 3.5Å; T221-D224 PolarHBondContact O-N 2.84Å; T221-D224 VanDerWaalsContact O-N 3.1Å; T221-D224 VanDerWaalsContact OG1-CG 3.24Å; T221-D224 PolarHBondContact OG1-N 2.83Å; T221-D224 PolarHBondContact OG1-OD2 3.03Å; T221-I225 PolarHBondContact O-N 2.89Å
222	E	95.1	Very high	94.7	Very high	132 Å²	132	63.4 Å²	63.4	62%	0.617	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.6	171.9	-67.5	178.2	-167.7	0	0	112.6	I225 K226	E222-I225 VanDerWaalsContact O-CG1 3.3Å; E222-I225 WeakPolarHBondContact O-CG1 3.45Å; E222-K226 WeakPolarHBondContact O-CG 3.07Å
223	D	94.4	Very high	94.7	Very high	105 Å²	105	62.2 Å²	62.2	56%	0.561	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.2	177.1	-72.9	-28	0	0	0	112.3	T221 I225 K226	T221-D223 PolarHBondContact O-N 2.92Å; T221-D223 PolarHBondContact OG1-N 2.7Å; D223-I225 VanDerWaalsContact C-N 3.25Å; D223-I225 PolarHBondContact O-N 3.43Å; D223-K226 IonicContact OD1-NZ 3.48Å; D223-K226 PolarHBondContact OD1-NZ 2.89Å
224	D	95.2	Very high	94.5	Very high	39 Å²	39	61 Å²	61	21%	0.209	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-26	179.2	-69	-52	0	0	0	112.9	L220 T221 G229 V231	L220-D224 HydrophobicContact CB-CB 4.34Å; L220-D224 HydrophobicContact CD2-CB 4.44Å; T221-D224 WeakPolarHBondContact CB-OD2 3.3Å; T221-D224 PolarHBondContact N-OD2 2.8Å; T221-D224 WeakPolarHBondContact O-CB 3.5Å; T221-D224 PolarHBondContact O-N 2.84Å; T221-D224 VanDerWaalsContact O-N 3.1Å; T221-D224 VanDerWaalsContact OG1-CG 3.24Å; T221-D224 PolarHBondContact OG1-N 2.83Å; T221-D224 PolarHBondContact OG1-OD2 3.03Å; D224-G229 WeakPolarHBondContact O-CA 3.42Å; D224-V231 HydrophobicContact CB-CG2 4.01Å
225	I	94.8	Very high	94	Very high	4 Å²	4	63.2 Å²	63.2	2%	0.021	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	5.4	-175.6	66.5	165.1	0	0	0	114.2	F182 Q183 G184 P191 L220 T221 E222 D223 Q252	F182-I225 VanDerWaalsContact O-CA 3.27Å; F182-I225 WeakPolarHBondContact O-CA 3.26Å; F182-I225 WeakPolarHBondContact O-CB 3.41Å; F182-I225 WeakPolarHBondContact O-CG2 3.47Å; Q183-I225 VanDerWaalsContact CA-O 3.25Å; Q183-I225 WeakPolarHBondContact CA-O 3.3Å; G184-I225 PolarHBondContact N-O 3.31Å; G184-I225 VanDerWaalsContact N-O 3.1Å; P191-I225 HydrophobicContact CG-CG2 4.32Å; L220-I225 HydrophobicContact CB-CG2 4.23Å; L220-I225 HydrophobicContact CD1-CG2 4.18Å; T221-I225 PolarHBondContact O-N 2.89Å; E222-I225 VanDerWaalsContact O-CG1 3.3Å; E222-I225 WeakPolarHBondContact O-CG1 3.45Å; D223-I225 VanDerWaalsContact C-N 3.25Å; D223-I225 PolarHBondContact O-N 3.43Å; I225-Q252 HydrophobicContact CD1-CG 3.78Å
226	K	92.2	Very high	93.5	Very high	74 Å²	74	67.4 Å²	67.4	32%	0.322	35%	0.345	S	S	.	.	S	Bend	trans	-77.6	171.6	173.1	-73.2	172.8	-170.3	169.9	0	111.7	E222 D223 D228 G229	E222-K226 WeakPolarHBondContact O-CG 3.07Å; D223-K226 IonicContact OD1-NZ 3.48Å; D223-K226 PolarHBondContact OD1-NZ 2.89Å; K226-D228 VanDerWaalsContact C-N 3.3Å; K226-D228 PolarHBondContact O-N 3.32Å; K226-G229 PolarHBondContact O-N 2.75Å
227	E	87	Confident	93.3	Very high	153 Å²	153	71 Å²	71	72%	0.715	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-42.2	-177	-169.6	-179.5	168.2	0	0	113.5	K181 Q183	K181-E227 PolarHBondContact NZ-O 3.11Å; K181-E227 VanDerWaalsContact NZ-O 3.14Å; Q183-E227 PolarHBondContact NE2-O 2.77Å
228	D	85.7	Confident	93.2	Very high	111 Å²	111	69 Å²	69	59%	0.594	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.9	178	63	-37.8	0	0	0	113.6	K226 I230	K226-D228 VanDerWaalsContact C-N 3.3Å; K226-D228 PolarHBondContact O-N 3.32Å; D228-I230 PolarHBondContact O-N 2.64Å
229	G	89.4	Confident	93	Very high	6 Å²	6	71.1 Å²	71.1	6%	0.062	35%	0.353	C	S	.	.			trans	-58.7	129.1	179.5	0	0	0	0	0	112.4	K181 D224 K226	K181-G229 WeakPolarHBondContact CG-O 3.35Å; D224-G229 WeakPolarHBondContact O-CA 3.42Å; K226-G229 PolarHBondContact O-N 2.75Å
230	I	90.9	Very high	92.9	Very high	52 Å²	52	68.7 Å²	68.7	27%	0.267	34%	0.344	S	S	.	.			trans	-129.8	118.1	175.8	-67.1	168.9	0	0	0	108.9	D118 S179 K181 D228 P232	D118-I230 HydrophobicContact CB-CD1 3.75Å; D118-I230 WeakPolarHBondContact O-CD1 3.36Å; S179-I230 WeakPolarHBondContact OG-CG2 3.42Å; K181-I230 HydrophobicContact CG-CG1 4.38Å; D228-I230 PolarHBondContact O-N 2.64Å; I230-P232 VanDerWaalsContact O-CD 3.32Å; I230-P232 WeakPolarHBondContact O-CD 3.3Å
231	V	94.9	Very high	92.9	Very high	4 Å²	4	68.4 Å²	68.4	2%	0.024	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	110.8	-178.5	-174.9	0	0	0	0	109.7	S179 M180 L218 L220 D224 L233	S179-V231 CarbonylContact C-O 3.57Å; S179-V231 WeakPolarHBondContact CA-O 2.94Å; S179-V231 WeakPolarHBondContact CB-O 3.42Å; M180-V231 HydrophobicContact CG-CB 3.84Å; M180-V231 HydrophobicContact CG-CG1 4.34Å; M180-V231 PolarHBondContact N-O 2.82Å; M180-V231 PolarHBondContact O-N 2.63Å; L218-V231 HydrophobicContact CD1-CG1 3.71Å; L218-V231 HydrophobicContact CD2-CG1 3.96Å; L218-V231 HydrophobicContact CG-CG1 4.41Å; L220-V231 HydrophobicContact CD2-CB 4.29Å; L220-V231 HydrophobicContact CD2-CG1 3.62Å; L220-V231 HydrophobicContact CD2-CG2 3.65Å; D224-V231 HydrophobicContact CB-CG2 4.01Å; V231-L233 PolarHBondContact O-N 3.43Å
232	P	93.4	Very high	92.9	Very high	86 Å²	86	69 Å²	69	56%	0.558	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	132.4	-178.1	28.6	-33.9	0	0	0	111.6	Q216 I230	Q216-P232 PolarHBondContact NE2-O 3.47Å; I230-P232 VanDerWaalsContact O-CD 3.32Å; I230-P232 WeakPolarHBondContact O-CD 3.3Å
233	L	95.8	Very high	93	Very high	14 Å²	14	64 Å²	64	7%	0.073	32%	0.323	C	S	.	.			trans	-97.8	154.7	171.1	-58.9	177.9	0	0	0	109.9	L177 Y178 M180 I196 L218 V231 Y235 F238 F265	L177-L233 HydrophobicContact CB-CD1 3.8Å; L177-L233 HydrophobicContact CD1-CD1 4.41Å; Y178-L233 WeakPolarHBondContact O-CA 3.27Å; Y178-L233 WeakPolarHBondContact O-CB 3.36Å; Y178-L233 PolarHBondContact O-N 2.81Å; M180-L233 HydrophobicContact CG-CD2 4.4Å; M180-L233 HydrophobicContact SD-CD2 4.18Å; I196-L233 HydrophobicContact CD1-CD2 3.46Å; I196-L233 VanDerWaalsContact CD1-CD2 3.46Å; L218-L233 HydrophobicContact CD1-CD2 4.11Å; V231-L233 PolarHBondContact O-N 3.43Å; L233-Y235 PolarHBondContact O-N 3.09Å; L233-F238 HydrophobicContact CB-CD2 4.07Å; L233-F238 HydrophobicContact CB-CE2 4.08Å; L233-F265 HydrophobicContact CD1-CD1 4.2Å; L233-F265 HydrophobicContact CD1-CE1 4.23Å
234	R	93.3	Very high	93.2	Very high	151 Å²	151	59 Å²	59	57%	0.57	30%	0.296	S	S	*	.			trans	-74.8	76.1	173	-68.1	-178.9	-172.8	-173.2	7.1	108.9	Q216 V236 K237 F238	Q216-R234 VanDerWaalsContact OE1-CB 3.31Å; R234-V236 PolarHBondContact O-N 3.4Å; R234-K237 HydrophobicContact CB-CG 4.36Å; R234-K237 WeakPolarHBondContact O-CB 3.35Å; R234-K237 PolarHBondContact O-N 3.29Å; R234-F238 VanDerWaalsContact O-CD2 3.3Å; R234-F238 WeakPolarHBondContact O-CD2 3.45Å
235	Y	87.2	Confident	93.3	Very high	70 Å²	70	57.3 Å²	57.3	28%	0.275	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-37.4	-41.7	-175.3	174.5	-104	0	0	0	114.3	K176 L177 Y178 L233 K237 F238 Q239	K176-Y235 HydrophobicContact CB-CE2 3.87Å; K176-Y235 HydrophobicContact CD-CE2 4.25Å; K176-Y235 WeakPolarHBondContact CD-OH 3.46Å; L177-Y235 WeakPolarHBondContact O-CD2 3.48Å; Y178-Y235 HydrophobicContact CD2-CD2 4.23Å; Y178-Y235 HydrophobicContact CD2-CG 4.42Å; L233-Y235 PolarHBondContact O-N 3.09Å; Y235-K237 PolarHBondContact O-N 2.75Å; Y235-K237 VanDerWaalsContact O-N 3.11Å; Y235-F238 CarbonylContact O-C 3.43Å; Y235-F238 PolarHBondContact O-N 2.86Å; Y235-Q239 PolarHBondContact O-NE2 3.29Å; Y235-Q239 PolarHBondContact OH-OE1 2.05Å
236	V	87.8	Confident	93.5	Very high	122 Å²	122	57.1 Å²	57.1	74%	0.739	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-54.4	-28	176.6	-63.1	0	0	0	0	115	R234	R234-V236 PolarHBondContact O-N 3.4Å
237	K	94	Very high	93.8	Very high	93 Å²	93	53.6 Å²	53.6	40%	0.404	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-85.4	-19.9	175.5	-64.7	-166	175	-165.8	0	113.1	I198 T215 R234 Y235	I198-K237 WeakPolarHBondContact CD1-O 3.45Å; T215-K237 HydrophobicContact CG2-CB 3.9Å; T215-K237 HydrophobicContact CG2-CD 4Å; T215-K237 WeakPolarHBondContact O-CD 3.2Å; T215-K237 WeakPolarHBondContact O-CE 3.3Å; T215-K237 PolarHBondContact O-NZ 2.9Å; R234-K237 HydrophobicContact CB-CG 4.36Å; R234-K237 WeakPolarHBondContact O-CB 3.35Å; R234-K237 PolarHBondContact O-N 3.29Å; Y235-K237 PolarHBondContact O-N 2.75Å; Y235-K237 VanDerWaalsContact O-N 3.11Å
238	F	96.9	Very high	94.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.			trans	-114.5	49.1	-172.1	-58	-85.9	0	0	0	111.4	K176 L177 I196 I198 T215 Q216 L233 R234 Y235 V241	K176-F238 CarbonylContact C-O 3.6Å; K176-F238 WeakPolarHBondContact CA-O 3.32Å; L177-F238 HydrophobicContact CB-CB 3.75Å; L177-F238 HydrophobicContact CB-CD1 4.45Å; L177-F238 HydrophobicContact CB-CG 4.2Å; L177-F238 HydrophobicContact CD1-CD1 3.97Å; L177-F238 HydrophobicContact CG-CB 4.22Å; L177-F238 PolarHBondContact N-O 2.83Å; I196-F238 HydrophobicContact CG2-CE1 3.79Å; I196-F238 HydrophobicContact CG2-CZ 4.08Å; I198-F238 HydrophobicContact CD1-CD1 4.18Å; I198-F238 HydrophobicContact CG2-CD1 3.68Å; I198-F238 HydrophobicContact CG2-CE1 3.56Å; T215-F238 HydrophobicContact CG2-CE1 3.84Å; T215-F238 HydrophobicContact CG2-CE2 4.32Å; T215-F238 HydrophobicContact CG2-CZ 3.71Å; Q216-F238 HydrophobicContact CB-CE2 4.17Å; Q216-F238 HydrophobicContact CB-CZ 3.89Å; L233-F238 HydrophobicContact CB-CD2 4.07Å; L233-F238 HydrophobicContact CB-CE2 4.08Å; R234-F238 VanDerWaalsContact O-CD2 3.3Å; R234-F238 WeakPolarHBondContact O-CD2 3.45Å; Y235-F238 CarbonylContact O-C 3.43Å; Y235-F238 PolarHBondContact O-N 2.86Å; F238-V241 HydrophobicContact CB-CG2 3.98Å; F238-V241 HydrophobicContact CD1-CG2 4.19Å
239	Q	93.1	Very high	94.9	Very high	62 Å²	62	43.8 Å²	43.8	29%	0.29	22%	0.222	S	C	.	.	S	Bend	trans	-89	-15.1	-177.7	-70.7	-56.5	-75.9	0	0	114.9	K176 Y235 V270	K176-Q239 WeakPolarHBondContact CG-O 3.45Å; Y235-Q239 PolarHBondContact O-NE2 3.29Å; Y235-Q239 PolarHBondContact OH-OE1 2.05Å; Q239-V270 WeakPolarHBondContact O-CG2 3.22Å
240	N	95.4	Very high	95.3	Very high	90 Å²	90	45.1 Å²	45.1	48%	0.481	23%	0.23	S	C	.	.	S	Bend	trans	-155.1	83.8	-176.5	-169	22	0	0	0	109	P174 N199	P174-N240 WeakPolarHBondContact CB-OD1 3.38Å; N199-N240 PolarHBondContact ND2-O 3.33Å
241	V	97.8	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	119.8	-171.8	-174.4	0	0	0	0	109.4	F171 P174 V175 L177 I198 F238 S243 V244	F171-V241 HydrophobicContact CD2-CG1 4.45Å; F171-V241 HydrophobicContact CE2-CG1 4.23Å; P174-V241 WeakPolarHBondContact CA-O 3.36Å; V175-V241 HydrophobicContact CG2-CB 4.18Å; V175-V241 WeakPolarHBondContact CG2-O 3.49Å; V175-V241 PolarHBondContact N-O 3.29Å; V175-V241 PolarHBondContact O-N 3.41Å; L177-V241 HydrophobicContact CD1-CB 4.41Å; L177-V241 HydrophobicContact CD1-CG1 4.09Å; L177-V241 HydrophobicContact CD1-CG2 4.19Å; L177-V241 HydrophobicContact CG-CB 4.34Å; L177-V241 HydrophobicContact CG-CG2 4.08Å; I198-V241 HydrophobicContact CB-CG1 4.23Å; I198-V241 HydrophobicContact CD1-CG2 4.16Å; I198-V241 HydrophobicContact CG2-CG1 4.02Å; I198-V241 HydrophobicContact CG2-CG2 4.37Å; F238-V241 HydrophobicContact CB-CG2 3.98Å; F238-V241 HydrophobicContact CD1-CG2 4.19Å; V241-S243 WeakPolarHBondContact CG1-O 3.16Å; V241-V244 HydrophobicContact CG1-CG2 3.47Å; V241-V244 VanDerWaalsContact CG1-CG2 3.47Å
242	N	96.3	Very high	95.8	Very high	81 Å²	81	44 Å²	44	43%	0.433	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	-31.3	173.9	-66.9	17.3	0	0	0	111.1	F171 P174 N199	F171-N242 PolarHBondContact N-O 2.87Å; P174-N242 VanDerWaalsContact CB-OD1 3.3Å; P174-N242 WeakPolarHBondContact CB-OD1 3.5Å; P174-N242 WeakPolarHBondContact CG-OD1 3.48Å; N199-N242 PolarHBondContact OD1-N 3.36Å
243	S	97.6	Very high	95.9	Very high	26 Å²	26	41.7 Å²	41.7	18%	0.182	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.5	174.3	59.5	0	0	0	0	111.1	V169 I198 N199 V241	V169-S243 CarbonylContact O-C 3.58Å; V169-S243 WeakPolarHBondContact O-CA 3.21Å; I198-S243 VanDerWaalsContact CA-O 3.3Å; I198-S243 WeakPolarHBondContact CA-O 3.42Å; N199-S243 PolarHBondContact N-O 2.92Å; N199-S243 PolarHBondContact OD1-N 2.65Å; V241-S243 WeakPolarHBondContact CG1-O 3.16Å
244	V	98.2	Very high	95.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	135.1	173.5	-177	0	0	0	0	108.2	T168 V169 F171 L177 I196 F197 I198 V241 L246 F265	T168-V244 CarbonylContact C-O 3.39Å; T168-V244 WeakPolarHBondContact CA-O 3.37Å; V169-V244 PolarHBondContact N-O 2.78Å; V169-V244 PolarHBondContact O-N 2.86Å; F171-V244 HydrophobicContact CE2-CG2 3.93Å; L177-V244 HydrophobicContact CD1-CG2 3.52Å; I196-V244 HydrophobicContact CG2-CG1 3.67Å; F197-V244 CarbonylContact O-C 3.54Å; F197-V244 WeakPolarHBondContact O-CA 3.18Å; I198-V244 HydrophobicContact CG2-CG1 4.48Å; I198-V244 HydrophobicContact CG2-CG2 4.08Å; V241-V244 HydrophobicContact CG1-CG2 3.47Å; V241-V244 VanDerWaalsContact CG1-CG2 3.47Å; V244-L246 HydrophobicContact CG1-CD2 3.84Å; V244-L246 HydrophobicContact CG1-CG 4.21Å; V244-F265 HydrophobicContact CB-CE2 4.13Å; V244-F265 HydrophobicContact CB-CZ 3.99Å; V244-F265 HydrophobicContact CG1-CE1 4.47Å; V244-F265 HydrophobicContact CG1-CE2 4.29Å; V244-F265 HydrophobicContact CG1-CZ 3.66Å; V244-F265 HydrophobicContact CG2-CE2 4.1Å; V244-F265 HydrophobicContact CG2-CZ 4.01Å
245	T	98.4	Very high	96	Very high	4 Å²	4	46.4 Å²	46.4	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.4	167.1	-59.5	0	0	0	0	108.4	L166 I167 T168 F197 M204	L166-T245 HydrophobicContact CD2-CG2 3.65Å; L166-T245 HydrophobicContact CG-CG2 3.98Å; I167-T245 CarbonylContact O-C 3.52Å; I167-T245 WeakPolarHBondContact O-CA 3.27Å; T168-T245 PolarHBondContact OG1-OG1 3.36Å; T168-T245 VanDerWaalsContact OG1-OG1 3.08Å; F197-T245 PolarHBondContact N-O 2.82Å; F197-T245 PolarHBondContact O-N 3.34Å; M204-T245 HydrophobicContact CB-CG2 4.45Å; M204-T245 HydrophobicContact SD-CG2 4.45Å
246	L	98.3	Very high	96.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.8	173.8	-56.6	176.7	0	0	0	107.9	L166 I167 M180 F182 V194 K195 I196 V244 F263 F265	L166-L246 CarbonylContact C-O 3.52Å; L166-L246 WeakPolarHBondContact CA-O 3.32Å; I167-L246 HydrophobicContact CB-CB 4.3Å; I167-L246 PolarHBondContact N-O 3.14Å; I167-L246 PolarHBondContact O-N 3.36Å; M180-L246 HydrophobicContact CE-CD1 4Å; M180-L246 HydrophobicContact CE-CD2 4.49Å; F182-L246 HydrophobicContact CE2-CD1 3.99Å; F182-L246 HydrophobicContact CZ-CD1 4.32Å; V194-L246 HydrophobicContact CG1-CB 4.32Å; V194-L246 HydrophobicContact CG1-CD2 4.4Å; K195-L246 CarbonylContact O-C 3.57Å; K195-L246 WeakPolarHBondContact O-CA 3.35Å; I196-L246 HydrophobicContact CB-CD2 4.23Å; I196-L246 HydrophobicContact CD1-CD2 4.15Å; I196-L246 HydrophobicContact CG1-CD2 3.66Å; I196-L246 HydrophobicContact CG2-CD2 4Å; V244-L246 HydrophobicContact CG1-CD2 3.84Å; V244-L246 HydrophobicContact CG1-CG 4.21Å; L246-F263 HydrophobicContact CD1-CD2 4.4Å; L246-F263 HydrophobicContact CD1-CE1 4.27Å; L246-F263 HydrophobicContact CD1-CE2 3.54Å; L246-F263 HydrophobicContact CD1-CZ 3.43Å; L246-F263 VanDerWaalsContact CD1-CZ 3.43Å; L246-F265 HydrophobicContact CD1-CZ 4.24Å; L246-F265 HydrophobicContact CD2-CZ 4.23Å; L246-F265 HydrophobicContact CG-CZ 4.46Å
247	F	98.6	Very high	96.9	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	106.8	168.4	169.9	-130.8	0	0	0	108.1	Q164 L165 V194 K195 F197 F206 A209 E210 Q249	Q164-F247 HydrophobicContact CB-CE2 4.11Å; Q164-F247 HydrophobicContact CG-CE2 4.24Å; L165-F247 WeakPolarHBondContact O-CA 3.42Å; V194-F247 CarbonylContact C-O 3.38Å; V194-F247 WeakPolarHBondContact CA-O 3.15Å; K195-F247 HydrophobicContact CB-CB 4.25Å; K195-F247 HydrophobicContact CB-CD1 4.28Å; K195-F247 HydrophobicContact CD-CD1 4.13Å; K195-F247 HydrophobicContact CG-CD1 4.4Å; K195-F247 PolarHBondContact N-O 3.09Å; K195-F247 PolarHBondContact O-N 3.4Å; F197-F247 HydrophobicContact CE2-CB 4.32Å; F206-F247 HydrophobicContact CD1-CD2 4.2Å; F206-F247 AromaticContact CD1-CE2 3.74Å; F206-F247 HydrophobicContact CD1-CE2 3.74Å; F206-F247 HydrophobicContact CE1-CD2 4.48Å; F206-F247 HydrophobicContact CE1-CE2 4.25Å; A209-F247 HydrophobicContact CB-CB 3.85Å; A209-F247 HydrophobicContact CB-CD1 3.62Å; A209-F247 HydrophobicContact CB-CD2 4.16Å; A209-F247 HydrophobicContact CB-CE1 4.17Å; A209-F247 HydrophobicContact CB-CG 3.61Å; E210-F247 HydrophobicContact CG-CE1 3.98Å; E210-F247 HydrophobicContact CG-CZ 3.98Å; F247-Q249 HydrophobicContact CD1-CB 4.36Å; F247-Q249 HydrophobicContact CE1-CB 3.86Å; F247-Q249 HydrophobicContact CE1-CG 3.94Å; F247-Q249 HydrophobicContact CZ-CB 4Å; F247-Q249 HydrophobicContact CZ-CG 4Å
248	V	98.4	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	114.2	171.3	-174.9	0	0	0	0	106.8	Q164 L165 F182 P191 V194 T258 I260	Q164-V248 VanDerWaalsContact CA-O 3.27Å; Q164-V248 WeakPolarHBondContact CA-O 3.34Å; L165-V248 HydrophobicContact CB-CB 4.08Å; L165-V248 HydrophobicContact CB-CG2 4.2Å; L165-V248 PolarHBondContact N-O 3.47Å; L165-V248 VanDerWaalsContact N-O 3.09Å; L165-V248 PolarHBondContact O-N 3.42Å; F182-V248 HydrophobicContact CE1-CG2 4.02Å; F182-V248 HydrophobicContact CZ-CG2 3.95Å; P191-V248 HydrophobicContact CB-CG1 3.81Å; V194-V248 HydrophobicContact CG1-CG2 4.49Å; V194-V248 HydrophobicContact CG2-CG1 4.49Å; V194-V248 HydrophobicContact CG2-CG2 4.32Å; V248-T258 HydrophobicContact CG1-CG2 4.04Å; V248-I260 HydrophobicContact CG2-CD1 4.41Å
249	Q	97.8	Very high	97.2	Very high	58 Å²	58	45.3 Å²	45.3	27%	0.271	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	-28.6	-173.4	-174.2	172.1	7.1	0	0	112.4	Y193 F247	Y193-Q249 HydrophobicContact CD1-CB 4.03Å; Y193-Q249 VanDerWaalsContact CE1-OE1 3.31Å; Y193-Q249 PolarHBondContact O-N 3.37Å; F247-Q249 HydrophobicContact CD1-CB 4.36Å; F247-Q249 HydrophobicContact CE1-CB 3.86Å; F247-Q249 HydrophobicContact CE1-CG 3.94Å; F247-Q249 HydrophobicContact CZ-CB 4Å; F247-Q249 HydrophobicContact CZ-CG 4Å
250	S	97.9	Very high	97.4	Very high	35 Å²	35	42.4 Å²	42.4	25%	0.245	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	163.7	179.6	64.1	0	0	0	0	112	K192 Y193	K192-S250 PolarHBondContact N-O 2.91Å; Y193-S250 WeakPolarHBondContact CB-OG 3.05Å; Y193-S250 PolarHBondContact N-O 2.68Å; Y193-S250 PolarHBondContact N-OG 2.66Å
251	N	97.9	Very high	97.4	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	175.5	174.1	58.8	42.7	0	0	0	112.5	E163 G190 K192 E254 E255 T257	E163-N251 WeakPolarHBondContact CB-ND2 3.27Å; G190-N251 CarbonylContact O-C 3.56Å; G190-N251 WeakPolarHBondContact O-CA 3.21Å; G190-N251 WeakPolarHBondContact O-CB 3.3Å; K192-N251 VanDerWaalsContact CB-C 3.42Å; K192-N251 VanDerWaalsContact CB-O 3.29Å; K192-N251 WeakPolarHBondContact CB-O 3.28Å; K192-N251 WeakPolarHBondContact CD-O 2.97Å; N251-E254 WeakPolarHBondContact OD1-CA 3.3Å; N251-E254 PolarHBondContact OD1-N 2.82Å; N251-E255 PolarHBondContact ND2-N 3.27Å; N251-E255 PolarHBondContact ND2-O 3.36Å; N251-E255 PolarHBondContact OD1-N 3.21Å; N251-T257 PolarHBondContact ND2-O 3.01Å
252	Q	97.4	Very high	97.2	Very high	29 Å²	29	40.5 Å²	40.5	14%	0.136	21%	0.211	C	C	.	.	S	Bend	trans	-67.3	-40.4	-173.8	-66.7	-60.6	-24	0	0	112.5	G188 G190 P191 L220 I225	G188-Q252 PolarHBondContact O-N 2.87Å; G190-Q252 WeakPolarHBondContact O-CG 3.37Å; G190-Q252 PolarHBondContact O-N 2.89Å; P191-Q252 PolarHBondContact O-NE2 3.01Å; L220-Q252 PolarHBondContact O-NE2 3.24Å; I225-Q252 HydrophobicContact CD1-CG 3.78Å
253	G	95.1	Very high	97.1	Very high	37 Å²	37	36.6 Å²	36.6	38%	0.381	19%	0.19	S	C	.	.	S	Bend	trans	-100.4	2.4	-170.2	0	0	0	0	0	116.2	G188 E255	G188-G253 PolarHBondContact O-N 3.1Å; G253-E255 PolarHBondContact O-N 3.33Å
254	E	94.7	Very high	96.9	Very high	179 Å²	179	35.4 Å²	35.4	84%	0.836	18%	0.182	S	C	*	.			trans	57.8	35.3	-167.7	-55.1	177.5	-175	0	0	112	N251	N251-E254 WeakPolarHBondContact OD1-CA 3.3Å; N251-E254 PolarHBondContact OD1-N 2.82Å
255	E	97.4	Very high	96.7	Very high	85 Å²	85	35.4 Å²	35.4	40%	0.397	18%	0.182	S	C	.	.			trans	-72.8	158.6	177.1	-63.2	-63.9	149	0	0	111.1	Q189 N251 G253 T257	Q189-E255 HydrophobicContact CG-CB 3.91Å; Q189-E255 HydrophobicContact CG-CG 3.86Å; N251-E255 PolarHBondContact ND2-N 3.27Å; N251-E255 PolarHBondContact ND2-O 3.36Å; N251-E255 PolarHBondContact OD1-N 3.21Å; G253-E255 PolarHBondContact O-N 3.33Å; E255-T257 VanDerWaalsContact C-N 3.26Å; E255-T257 PolarHBondContact O-N 3.28Å
256	E	96.4	Very high	96.5	Very high	169 Å²	169	35.2 Å²	35.2	79%	0.79	18%	0.181	S	C	*	.	S	Bend	trans	-67	-27.2	-179.1	-64.6	-176	165.4	0	0	113.1	D162 E163	D162-E256 CarbonylContact C-O 3.12Å; D162-E256 WeakPolarHBondContact CA-O 3.46Å; E163-E256 PolarHBondContact N-O 2.99Å; E163-E256 VanDerWaalsContact N-O 3.08Å
257	T	97.8	Very high	96.2	Very high	24 Å²	24	35.2 Å²	35.2	15%	0.147	18%	0.181	C	C	.	.	S	Bend	trans	-131	152.7	-179.4	65.4	0	0	0	0	111.5	E158 S159 Q189 N251 E255	E158-T257 PolarHBondContact OE1-OG1 3.48Å; S159-T257 WeakPolarHBondContact O-CG2 3.42Å; S159-T257 WeakPolarHBondContact OG-CA 3.49Å; S159-T257 WeakPolarHBondContact OG-CB 3.5Å; Q189-T257 PolarHBondContact NE2-OG1 3.21Å; N251-T257 PolarHBondContact ND2-O 3.01Å; E255-T257 VanDerWaalsContact C-N 3.26Å; E255-T257 PolarHBondContact O-N 3.28Å
258	T	98.3	Very high	95.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.188	C	C	.	.			trans	-102.4	136.5	172.6	-63.1	0	0	0	0	110.1	E158 S159 E163 L165 Q189 P191 V248 I260	E158-T258 WeakPolarHBondContact CA-O 3.38Å; S159-T258 PolarHBondContact N-O 2.9Å; S159-T258 PolarHBondContact OG-N 2.89Å; E163-T258 VanDerWaalsContact O-CB 3.31Å; E163-T258 WeakPolarHBondContact O-CB 3.45Å; E163-T258 PolarHBondContact O-OG1 3.39Å; L165-T258 HydrophobicContact CD1-CG2 4.26Å; Q189-T258 CarbonylContact O-C 3.6Å; Q189-T258 VanDerWaalsContact O-CA 3.32Å; Q189-T258 WeakPolarHBondContact O-CA 3.35Å; Q189-T258 WeakPolarHBondContact O-CG2 3.33Å; P191-T258 HydrophobicContact CB-CG2 4.19Å; V248-T258 HydrophobicContact CG1-CG2 4.04Å; T258-I260 HydrophobicContact CG2-CG1 4.41Å
259	R	97.9	Very high	95.4	Very high	70 Å²	70	36.6 Å²	36.6	26%	0.264	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	135.3	174.3	-69.1	-175.2	-178.9	-177	-9.3	111.6	F156 L157 E158 P185 Q189	F156-R259 HydrophobicContact CD2-CG 4.29Å; F156-R259 HydrophobicContact CE2-CG 4.49Å; L157-R259 CarbonylContact O-C 3.54Å; L157-R259 VanDerWaalsContact O-CA 3.28Å; L157-R259 WeakPolarHBondContact O-CA 3.25Å; E158-R259 HydrophobicContact CB-CG 4.05Å; E158-R259 VanDerWaalsContact CD-NH2 3.3Å; E158-R259 HydrophobicContact CG-CG 3.99Å; E158-R259 IonicContact OE1-CZ 3.92Å; E158-R259 VanDerWaalsContact OE1-CZ 3.24Å; E158-R259 IonicContact OE1-NE 2.76Å; E158-R259 PolarHBondContact OE1-NE 3.36Å; E158-R259 IonicContact OE1-NH2 2.78Å; E158-R259 PolarHBondContact OE1-NH2 3.21Å; E158-R259 IonicContact OE2-CZ 2.69Å; E158-R259 IonicContact OE2-NE 3Å; E158-R259 PolarHBondContact OE2-NE 3.38Å; E158-R259 IonicContact OE2-NH2 3.82Å; E158-R259 PolarHBondContact OE2-NH2 3.15Å; P185-R259 WeakPolarHBondContact CD-O 3.08Å; P185-R259 HydrophobicContact CG-CB 3.89Å; Q189-R259 HydrophobicContact CB-CB 4.16Å; Q189-R259 HydrophobicContact CB-CG 4.22Å; Q189-R259 PolarHBondContact O-N 3.3Å; Q189-R259 VanDerWaalsContact OE1-CD 3.3Å
260	I	97.6	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.7	176.4	-57.8	165.4	0	0	0	107.6	C149 F156 L157 L165 I167 F182 Q183 P191 V248 T258 F263	C149-I260 HydrophobicContact CB-CB 4.26Å; C149-I260 HydrophobicContact CB-CG2 3.92Å; C149-I260 VanDerWaalsContact CB-O 3.24Å; C149-I260 WeakPolarHBondContact CB-O 3.44Å; F156-I260 WeakPolarHBondContact CA-O 3.46Å; L157-I260 HydrophobicContact CB-CB 4.35Å; L157-I260 HydrophobicContact CD2-CD1 4.03Å; L157-I260 PolarHBondContact N-O 3.39Å; L157-I260 PolarHBondContact O-N 3.12Å; L165-I260 HydrophobicContact CD1-CD1 3.93Å; I167-I260 HydrophobicContact CD1-CD1 3.72Å; F182-I260 HydrophobicContact CD2-CG2 4.45Å; F182-I260 HydrophobicContact CE1-CD1 4.01Å; F182-I260 HydrophobicContact CE1-CG1 4.45Å; F182-I260 HydrophobicContact CE2-CD1 3.99Å; F182-I260 HydrophobicContact CE2-CG2 4.25Å; F182-I260 HydrophobicContact CZ-CD1 3.42Å; F182-I260 VanDerWaalsContact CZ-CD1 3.42Å; F182-I260 HydrophobicContact CZ-CG1 4.21Å; Q183-I260 WeakPolarHBondContact O-CA 3.32Å; P191-I260 HydrophobicContact CG-CG1 4.37Å; V248-I260 HydrophobicContact CG2-CD1 4.41Å; T258-I260 HydrophobicContact CG2-CG1 4.41Å; I260-F263 HydrophobicContact CG2-CB 4.1Å
261	S	95.3	Very high	93.6	Very high	37 Å²	37	42.4 Å²	42.4	26%	0.259	22%	0.216	S	C	.	.	S	Bend	trans	-81.6	-40.7	-179.7	50.8	0	0	0	0	111.7	Q183	Q183-S261 VanDerWaalsContact C-OG 3.29Å; Q183-S261 WeakPolarHBondContact CB-OG 3.44Å; Q183-S261 PolarHBondContact O-N 3.46Å; Q183-S261 PolarHBondContact O-OG 2.89Å
262	Y	94.5	Very high	91.6	Very high	13 Å²	13	43.7 Å²	43.7	5%	0.051	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.4	178.5	-179.4	-111.7	0	0	0	111.8	D125 C149 K152 Q183 T264	D125-Y262 PolarHBondContact OD2-OH 2.93Å; D125-Y262 VanDerWaalsContact OD2-OH 3.06Å; C149-Y262 CarbonylContact O-C 3.54Å; C149-Y262 VanDerWaalsContact O-CA 3.3Å; C149-Y262 WeakPolarHBondContact O-CA 3.44Å; K152-Y262 HydrophobicContact CD-CE1 4.36Å; K152-Y262 HydrophobicContact CD-CE2 4.22Å; K152-Y262 WeakPolarHBondContact CE-OH 3.25Å; K152-Y262 HydrophobicContact CG-CD1 4.28Å; K152-Y262 HydrophobicContact CG-CD2 3.47Å; K152-Y262 VanDerWaalsContact CG-CD2 3.47Å; K152-Y262 HydrophobicContact CG-CE1 4.19Å; K152-Y262 HydrophobicContact CG-CE2 3.36Å; K152-Y262 HydrophobicContact CG-CG 3.94Å; Q183-Y262 HydrophobicContact CG-CD1 4.38Å; Q183-Y262 PolarHBondContact N-O 2.92Å; Q183-Y262 VanDerWaalsContact OE1-CB 3.3Å; Y262-T264 HydrophobicContact CE1-CG2 3.58Å
263	F	92.7	Very high	89.3	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	133.1	177.5	158.8	-118	0	0	0	111.2	F146 C149 L150 V169 M180 K181 F182 L246 I260 F265	F146-F263 HydrophobicContact CE2-CD1 4.13Å; F146-F263 HydrophobicContact CE2-CE1 4.18Å; F146-F263 HydrophobicContact CZ-CE1 4.48Å; C149-F263 PolarHBondContact O-N 3.43Å; L150-F263 HydrophobicContact CD2-CD1 4.03Å; V169-F263 HydrophobicContact CG2-CE1 3.6Å; V169-F263 HydrophobicContact CG2-CZ 3.88Å; M180-F263 HydrophobicContact CE-CD2 4.11Å; M180-F263 HydrophobicContact CE-CE2 3.84Å; K181-F263 WeakPolarHBondContact O-CA 3.2Å; F182-F263 HydrophobicContact CD2-CB 3.88Å; F182-F263 AromaticContact CD2-CD2 3.38Å; F182-F263 HydrophobicContact CD2-CD2 3.38Å; F182-F263 HydrophobicContact CD2-CE2 4.14Å; F182-F263 AromaticContact CD2-CG 3.87Å; F182-F263 HydrophobicContact CD2-CG 3.87Å; F182-F263 HydrophobicContact CE2-CB 4.01Å; F182-F263 AromaticContact CE2-CD2 3.61Å; F182-F263 HydrophobicContact CE2-CD2 3.61Å; F182-F263 HydrophobicContact CE2-CE2 4.15Å; F182-F263 AromaticContact CE2-CG 3.83Å; F182-F263 HydrophobicContact CE2-CG 3.83Å; L246-F263 HydrophobicContact CD1-CD2 4.4Å; L246-F263 HydrophobicContact CD1-CE1 4.27Å; L246-F263 HydrophobicContact CD1-CE2 3.54Å; L246-F263 HydrophobicContact CD1-CZ 3.43Å; L246-F263 VanDerWaalsContact CD1-CZ 3.43Å; I260-F263 HydrophobicContact CG2-CB 4.1Å; F263-F265 HydrophobicContact CE1-CE2 4.37Å; F263-F265 HydrophobicContact CE2-CD2 4.14Å; F263-F265 HydrophobicContact CE2-CE1 4.23Å; F263-F265 AromaticContact CE2-CE2 3.78Å; F263-F265 HydrophobicContact CE2-CE2 3.78Å; F263-F265 AromaticContact CE2-CZ 3.78Å; F263-F265 HydrophobicContact CE2-CZ 3.78Å; F263-F265 AromaticContact CZ-CD2 3.88Å; F263-F265 HydrophobicContact CZ-CD2 3.88Å; F263-F265 AromaticContact CZ-CE2 3.31Å; F263-F265 HydrophobicContact CZ-CE2 3.31Å; F263-F265 AromaticContact CZ-CZ 3.65Å; F263-F265 HydrophobicContact CZ-CZ 3.65Å
264	T	93.3	Very high	86.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	160.3	168.7	-172.4	0	0	0	0	111.3	D125 M180 K181 Y262	D125-T264 VanDerWaalsContact CG-OG1 3.24Å; D125-T264 PolarHBondContact OD1-OG1 3.33Å; D125-T264 VanDerWaalsContact OD2-CG2 3.32Å; D125-T264 WeakPolarHBondContact OD2-CG2 3Å; D125-T264 PolarHBondContact OD2-OG1 3.49Å; M180-T264 CarbonylContact C-O 3.45Å; M180-T264 WeakPolarHBondContact CA-O 3.34Å; M180-T264 WeakPolarHBondContact CB-O 3.49Å; K181-T264 HydrophobicContact CB-CG2 4.05Å; K181-T264 HydrophobicContact CG-CG2 4.43Å; K181-T264 PolarHBondContact N-O 3.45Å; K181-T264 PolarHBondContact O-N 3Å; K181-T264 VanDerWaalsContact O-N 3.12Å; Y262-T264 HydrophobicContact CE1-CG2 3.58Å
265	F	95.6	Very high	84.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	143.5	166.5	-71.9	-71.4	0	0	0	111.3	L126 V169 F171 L177 M180 L233 V244 L246 F263	L126-F265 HydrophobicContact CB-CB 4.18Å; L126-F265 WeakPolarHBondContact CB-O 3.42Å; L126-F265 HydrophobicContact CD1-CB 4Å; L126-F265 PolarHBondContact N-O 2.9Å; V169-F265 HydrophobicContact CB-CE2 4.43Å; V169-F265 HydrophobicContact CG2-CE2 4.31Å; F171-F265 AromaticContact CZ-CD2 3.68Å; F171-F265 HydrophobicContact CZ-CD2 3.68Å; F171-F265 HydrophobicContact CZ-CE2 4.25Å; F171-F265 HydrophobicContact CZ-CG 4.33Å; L177-F265 HydrophobicContact CD1-CD1 3.94Å; L177-F265 HydrophobicContact CD1-CE1 4.02Å; L177-F265 HydrophobicContact CD1-CG 4.39Å; L177-F265 HydrophobicContact CD1-CZ 4.47Å; L177-F265 HydrophobicContact CD2-CB 3.97Å; L177-F265 HydrophobicContact CD2-CD1 4.25Å; L177-F265 HydrophobicContact CD2-CG 4.07Å; M180-F265 HydrophobicContact CB-CD1 3.75Å; M180-F265 HydrophobicContact CB-CE1 4Å; M180-F265 HydrophobicContact SD-CE1 4.09Å; L233-F265 HydrophobicContact CD1-CD1 4.2Å; L233-F265 HydrophobicContact CD1-CE1 4.23Å; V244-F265 HydrophobicContact CB-CE2 4.13Å; V244-F265 HydrophobicContact CB-CZ 3.99Å; V244-F265 HydrophobicContact CG1-CE1 4.47Å; V244-F265 HydrophobicContact CG1-CE2 4.29Å; V244-F265 HydrophobicContact CG1-CZ 3.66Å; V244-F265 HydrophobicContact CG2-CE2 4.1Å; V244-F265 HydrophobicContact CG2-CZ 4.01Å; L246-F265 HydrophobicContact CD1-CZ 4.24Å; L246-F265 HydrophobicContact CD2-CZ 4.23Å; L246-F265 HydrophobicContact CG-CZ 4.46Å; F263-F265 HydrophobicContact CE1-CE2 4.37Å; F263-F265 HydrophobicContact CE2-CD2 4.14Å; F263-F265 HydrophobicContact CE2-CE1 4.23Å; F263-F265 AromaticContact CE2-CE2 3.78Å; F263-F265 HydrophobicContact CE2-CE2 3.78Å; F263-F265 AromaticContact CE2-CZ 3.78Å; F263-F265 HydrophobicContact CE2-CZ 3.78Å; F263-F265 AromaticContact CZ-CD2 3.88Å; F263-F265 HydrophobicContact CZ-CD2 3.88Å; F263-F265 AromaticContact CZ-CE2 3.31Å; F263-F265 HydrophobicContact CZ-CE2 3.31Å; F263-F265 AromaticContact CZ-CZ 3.65Å; F263-F265 HydrophobicContact CZ-CZ 3.65Å
266	I	93.3	Very high	81.8	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.9	173.2	-62.4	169.5	0	0	0	108.2	I119 M124 Y178 S179 K181	I119-I266 HydrophobicContact CD1-CD1 4.24Å; I119-I266 HydrophobicContact CD1-CG1 4.08Å; I119-I266 HydrophobicContact CD1-CG2 4.46Å; I119-I266 HydrophobicContact CG1-CD1 4.06Å; I119-I266 HydrophobicContact CG1-CG1 4.43Å; I119-I266 HydrophobicContact CG2-CG2 3.75Å; M124-I266 WeakPolarHBondContact O-CA 3.18Å; Y178-I266 PolarHBondContact N-O 2.7Å; S179-I266 PolarHBondContact N-O 2.92Å; S179-I266 VanDerWaalsContact N-O 3.12Å; S179-I266 PolarHBondContact O-N 2.72Å; S179-I266 VanDerWaalsContact O-O 3.08Å; S179-I266 WeakPolarHBondContact OG-CB 3.22Å; K181-I266 HydrophobicContact CG-CD1 3.99Å
267	G	92.6	Very high	79.1	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.8	-148.6	-177	0	0	0	0	0	113.8	Y123 M124 K176	Y123-G267 WeakPolarHBondContact CA-O 3.47Å; M124-G267 PolarHBondContact N-O 3.32Å; M124-G267 PolarHBondContact O-N 2.88Å; K176-G267 CarbonylContact O-C 3.54Å; K176-G267 WeakPolarHBondContact O-CA 3.21Å
268	T	89.4	Confident	76.7	Confident	26 Å²	26	44 Å²	44	16%	0.16	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153.7	176.8	52.7	0	0	0	0	110.4	G122 Y123 V175 K176	G122-T268 WeakPolarHBondContact O-CG2 3.32Å; Y123-T268 HydrophobicContact CD1-CG2 4.11Å; V175-T268 CarbonylContact C-O 3.55Å; V175-T268 WeakPolarHBondContact CA-O 3.43Å; K176-T268 PolarHBondContact N-O 2.79Å; K176-T268 PolarHBondContact O-N 3.45Å
269	P	90.2	Very high	73.8	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	146.7	167.8	27.3	-31.5	0	0	0	111.7	V86 F129 Q271 A272	V86-P269 HydrophobicContact CG1-CG 3.45Å; V86-P269 VanDerWaalsContact CG1-CG 3.45Å; F129-P269 HydrophobicContact CE1-CB 4.37Å; F129-P269 HydrophobicContact CE1-CG 4.35Å; F129-P269 HydrophobicContact CE2-CG 4.49Å; F129-P269 HydrophobicContact CZ-CB 4.33Å; F129-P269 HydrophobicContact CZ-CG 3.91Å; P269-Q271 VanDerWaalsContact C-N 3.28Å; P269-Q271 PolarHBondContact O-N 3.21Å; P269-A272 HydrophobicContact CG-CB 4Å; P269-A272 PolarHBondContact O-N 2.64Å; P269-A272 VanDerWaalsContact O-N 3.14Å
270	V	86	Confident	71	Confident	52 Å²	52	60.9 Å²	60.9	32%	0.315	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-43.8	178.3	174.7	0	0	0	0	110.5	P174 K176 Q239	P174-V270 HydrophobicContact CB-CB 4.17Å; P174-V270 HydrophobicContact CB-CG2 3.83Å; P174-V270 WeakPolarHBondContact O-CG2 3.42Å; P174-V270 PolarHBondContact O-N 3.05Å; K176-V270 HydrophobicContact CG-CG2 3.91Å; Q239-V270 WeakPolarHBondContact O-CG2 3.22Å
271	Q	72.1	Confident	68.2	Low	163 Å²	163	67.6 Å²	67.6	76%	0.762	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	61.2	171.1	-60.2	-179.1	34.4	0	0	109.2	P269 T273	P269-Q271 VanDerWaalsContact C-N 3.28Å; P269-Q271 PolarHBondContact O-N 3.21Å; Q271-T273 PolarHBondContact O-N 3.38Å
272	A	55.8	Low	65.4	Low	30 Å²	30	72.1 Å²	72.1	25%	0.248	37%	0.366	C	S	.	.			trans	-60.4	129.1	152.7	0	0	0	0	0	105.9	P269 N274	P269-A272 HydrophobicContact CG-CB 4Å; P269-A272 PolarHBondContact O-N 2.64Å; P269-A272 VanDerWaalsContact O-N 3.14Å; A272-N274 PolarHBondContact O-N 3.26Å
273	T	48.8	Very low	62.7	Low	45 Å²	45	74.4 Å²	74.4	28%	0.276	39%	0.393	S	S	.	.			trans	-58.1	93.3	160.9	-53.2	0	0	0	0	105.8	T70 Q271 M275 F278	T70-T273 HydrophobicContact CG2-CG2 4.34Å; Q271-T273 PolarHBondContact O-N 3.38Å; T273-M275 PolarHBondContact O-N 3.45Å; T273-F278 HydrophobicContact CG2-CE2 4.43Å; T273-F278 HydrophobicContact CG2-CZ 4.31Å
274	N	41.2	Very low	60.1	Low	82 Å²	82	84.4 Å²	84.4	44%	0.439	44%	0.437	S	S	.	.			trans	-76	93.7	-168.2	-167.9	1.5	0	0	0	107.2	A272 N276 D277 F278	A272-N274 PolarHBondContact O-N 3.26Å; N274-N276 PolarHBondContact O-N 3.02Å; N274-D277 PolarHBondContact ND2-OD2 3.06Å; N274-D277 PolarHBondContact O-N 3Å; N274-F278 WeakPolarHBondContact O-CD2 3.46Å; N274-F278 WeakPolarHBondContact O-CE2 3.31Å
275	M	48.1	Very low	57.3	Low	29 Å²	29	94.4 Å²	94.4	14%	0.143	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-65.1	-6.5	-173.8	-77.7	167.9	149.8	0	0	114.1	F13 Q14 L17 T273 F278	F13-M275 HydrophobicContact CD1-CE 4.09Å; F13-M275 HydrophobicContact CE1-CE 3.64Å; Q14-M275 PolarHBondContact NE2-SD 3.12Å; Q14-M275 PolarHBondContact OE1-SD 3.2Å; Q14-M275 VanDerWaalsContact OE1-SD 3.37Å; L17-M275 HydrophobicContact CD1-CE 3.9Å; L17-M275 HydrophobicContact CD1-SD 4.33Å; T273-M275 PolarHBondContact O-N 3.45Å; M275-F278 VanDerWaalsContact C-CD2 3.41Å; M275-F278 HydrophobicContact CB-CD2 4.31Å; M275-F278 HydrophobicContact CB-CE2 4.46Å; M275-F278 HydrophobicContact CG-CD2 4.49Å; M275-F278 HydrophobicContact CG-CE2 4.23Å; M275-F278 WeakPolarHBondContact O-CB 3.42Å; M275-F278 VanDerWaalsContact O-CD2 3.22Å; M275-F278 WeakPolarHBondContact O-CD2 3.48Å
276	N	41.9	Very low	54.6	Low	146 Å²	146	97.3 Å²	97.3	78%	0.781	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-83.8	-16.7	171.8	-73.4	-24.5	0	0	0	114.2	N274 F278	N274-N276 PolarHBondContact O-N 3.02Å; N276-F278 PolarHBondContact O-N 3.26Å
277	D	38.5	Very low	52	Low	130 Å²	130	106.4 Å²	106.4	70%	0.695	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-74.1	-0.2	172.3	-73.4	-38.9	0	0	0	112.4	N274 K279	N274-D277 PolarHBondContact ND2-OD2 3.06Å; N274-D277 PolarHBondContact O-N 3Å; D277-K279 PolarHBondContact O-N 2.95Å; D277-K279 VanDerWaalsContact O-N 3.14Å
278	F	47	Very low	49.3	Very low	97 Å²	97	111.6 Å²	111.6	43%	0.425	59%	0.589	S	S	.	*			trans	-85.6	87.1	179.3	-66.8	-98.5	0	0	0	109.6	T70 T273 N274 M275 N276 R280	T70-F278 HydrophobicContact CG2-CD1 4.47Å; T70-F278 HydrophobicContact CG2-CE1 3.26Å; T70-F278 HydrophobicContact CG2-CE2 4.4Å; T70-F278 HydrophobicContact CG2-CZ 3.21Å; T273-F278 HydrophobicContact CG2-CE2 4.43Å; T273-F278 HydrophobicContact CG2-CZ 4.31Å; N274-F278 WeakPolarHBondContact O-CD2 3.46Å; N274-F278 WeakPolarHBondContact O-CE2 3.31Å; M275-F278 VanDerWaalsContact C-CD2 3.41Å; M275-F278 HydrophobicContact CB-CD2 4.31Å; M275-F278 HydrophobicContact CB-CE2 4.46Å; M275-F278 HydrophobicContact CG-CD2 4.49Å; M275-F278 HydrophobicContact CG-CE2 4.23Å; M275-F278 WeakPolarHBondContact O-CB 3.42Å; M275-F278 VanDerWaalsContact O-CD2 3.22Å; M275-F278 WeakPolarHBondContact O-CD2 3.48Å; N276-F278 PolarHBondContact O-N 3.26Å; F278-R280 PolarHBondContact O-N 3.23Å; F278-R280 VanDerWaalsContact O-N 3.12Å
279	K	38.3	Very low	46.9	Very low	191 Å²	191	123.3 Å²	123.3	83%	0.83	64%	0.641	S	S	*	*			trans	-53.1	122	160.1	-77.9	-177.7	177.9	176.4	0	108	D277 V281	D277-K279 PolarHBondContact O-N 2.95Å; D277-K279 VanDerWaalsContact O-N 3.14Å; K279-V281 PolarHBondContact O-N 2.86Å
280	R	38.6	Very low	44.7	Very low	234 Å²	234	129.3 Å²	129.3	88%	0.883	67%	0.673	S	S	*	*			trans	-42	110.2	163.7	-97.1	178.7	164.5	176.5	-4.3	107.5	F278 V282	F278-R280 PolarHBondContact O-N 3.23Å; F278-R280 VanDerWaalsContact O-N 3.12Å; R280-V282 PolarHBondContact O-N 2.91Å
281	V	38.2	Very low	42.5	Very low	141 Å²	141	133.4 Å²	133.4	86%	0.855	69%	0.691	S	S	*	*			trans	-69.2	94.7	165.3	-175.7	0	0	0	0	104.5	K279 G283	K279-V281 PolarHBondContact O-N 2.86Å; V281-G283 PolarHBondContact O-N 3.14Å
282	V	37.5	Very low	40.9	Very low	131 Å²	131	131.7 Å²	131.7	79%	0.794	69%	0.687	S	S	*	*			trans	-56.6	109.5	169.7	-178.6	0	0	0	0	105.1	R280 K284	R280-V282 PolarHBondContact O-N 2.91Å; V282-K284 PolarHBondContact O-N 3.01Å
283	G	36.8	Very low	40	Very low	61 Å²	61	137.7 Å²	137.7	63%	0.629	71%	0.713	S	S	*	*			trans	-50.2	128.7	-177.5	0	0	0	0	0	109.8	V281 K285	V281-G283 PolarHBondContact O-N 3.14Å; G283-K285 PolarHBondContact O-N 3.24Å
284	K	38.4	Very low	39.4	Very low	211 Å²	211	143.5 Å²	143.5	92%	0.917	74%	0.741	S	S	*	*			trans	-56.6	113.9	165.5	-84.9	-175.9	173.8	179.4	0	106.8	V282 G286	V282-K284 PolarHBondContact O-N 3.01Å; K284-G286 PolarHBondContact O-N 2.97Å
285	K	35.8	Very low	39.3	Very low	210 Å²	210	147.6 Å²	147.6	91%	0.913	76%	0.761	S	S	*	*			trans	-61.6	103.1	167.4	-133.4	-178.6	-177.8	-176.3	0	106.3	G283	G283-K285 PolarHBondContact O-N 3.24Å
286	G	37.6	Very low	38.7	Very low	61 Å²	61	156.1 Å²	156.1	63%	0.629	81%	0.805	S	S	*	*			trans	-63.2	134.6	170.8	0	0	0	0	0	110.2	K284	K284-G286 PolarHBondContact O-N 2.97Å
287	E	39.1	Very low	38.5	Very low	191 Å²	191	156.8 Å²	156.8	89%	0.893	81%	0.807	S	S	*	*			trans	-11.8	134.3	146	-63.7	168.5	146.2	0	0	115.4
288	S	36.4	Very low	38.5	Very low	110 Å²	110	159.1 Å²	159.1	77%	0.769	82%	0.816	S	S	*	*			trans	-154.8	116.4	151.5	-65.3	0	0	0	0	108.4
289	H	37.8	Very low	37.7	Very low	271 Å²	271	164.7 Å²	164.7	100%	1.255	85%	0.851	S	S	*	*			trans	51.7	0	152.7	-67.3	-71.5	0	0	0	120.7

Retrieved 289 of 289 residues in 55.4 ms (Link to these results)

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