A0A096NXK0_PAPAN Loading...

F-box-like/WD repeat-containing protein TBL1XR1

F-box-like protein involved in the recruitment of the ubiquitin/19S proteasome complex to nuclear receptor-regulated transcription units. Plays an essential role in transcription activation mediated by nuclear receptors. Probably acts as integral component of the N-Cor corepressor complex that mediates the recruitment of the 19S proteasome complex, leading to the subsequent proteasomal degradation of N-Cor complex, thereby allowing cofactor exchange, and transcription activation.

AlphaFold DB (Q9BZK7), UniProt , Accession A0A096NXK0, Species PAPAN (Papio anubis, Olive baboon), Gene TBL1XR1, Length 514 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	61.9	Low	88.9	Confident	241 Å²	241	86.5 Å²	86.5	100%	1.187	48%	0.483	S	S	*	.				0	117.9	0	-93.8	176.8	-99.8	0	0	107.1
2	S	81	Confident	89.5	Confident	116 Å²	116	82.5 Å²	82.5	81%	0.811	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-96.3	127.2	167.2	52.4	0	0	0	0	107.3
3	I	87	Confident	90	Very high	138 Å²	138	79.9 Å²	79.9	71%	0.708	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-101	123.8	170.4	-62	171.4	0	0	0	105.9	V8	I3-V8 HydrophobicContact CG2-CG2 3.29Å
4	S	91.2	Very high	90.3	Very high	47 Å²	47	78.3 Å²	78.3	33%	0.329	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-90.5	154.6	176.7	67.9	0	0	0	0	111.7	D6 E7 V8	S4-D6 PolarHBondContact O-N 3.38Å; S4-E7 WeakPolarHBondContact CB-OE2 3.39Å; S4-E7 PolarHBondContact N-OE2 3.11Å; S4-E7 PolarHBondContact O-N 2.92Å; S4-E7 WeakPolarHBondContact OG-CB 3.35Å; S4-E7 WeakPolarHBondContact OG-CG 3.41Å; S4-E7 PolarHBondContact OG-N 3.37Å; S4-E7 PolarHBondContact OG-OE2 3.49Å; S4-V8 WeakPolarHBondContact O-CG2 3.49Å; S4-V8 PolarHBondContact O-N 2.96Å
5	S	90.9	Very high	90.7	Very high	80 Å²	80	78.5 Å²	78.5	56%	0.559	42%	0.419	S	S	*	.	H	α-helix	trans	-57.9	-37.9	172.3	50.2	0	0	0	0	111.7	V8 N9	S5-V8 PolarHBondContact O-N 2.74Å; S5-N9 WeakPolarHBondContact O-CB 3.39Å; S5-N9 PolarHBondContact O-N 3.21Å; S5-N9 PolarHBondContact O-ND2 3.07Å
6	D	90.8	Very high	91	Very high	81 Å²	81	75.1 Å²	75.1	43%	0.433	40%	0.4	S	S	.	.	H	α-helix	trans	-66.7	-39.9	-176.5	-65.1	1.7	0	0	0	111.5	S4 F10 I39	S4-D6 PolarHBondContact O-N 3.38Å; D6-F10 VanDerWaalsContact O-CB 3.3Å; D6-F10 WeakPolarHBondContact O-CB 3.47Å; D6-F10 PolarHBondContact O-N 3.41Å; D6-I39 WeakPolarHBondContact O-CD1 3.33Å
7	E	93.3	Very high	91.1	Very high	94 Å²	94	74.3 Å²	74.3	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-65	-46.7	174.9	-71.7	161	145.1	0	0	111.7	S4 F10 L11 I39	S4-E7 WeakPolarHBondContact CB-OE2 3.39Å; S4-E7 PolarHBondContact N-OE2 3.11Å; S4-E7 PolarHBondContact O-N 2.92Å; S4-E7 WeakPolarHBondContact OG-CB 3.35Å; S4-E7 WeakPolarHBondContact OG-CG 3.41Å; S4-E7 PolarHBondContact OG-N 3.37Å; S4-E7 PolarHBondContact OG-OE2 3.49Å; E7-F10 PolarHBondContact O-N 2.93Å; E7-L11 WeakPolarHBondContact O-CG 3.14Å; E7-L11 PolarHBondContact O-N 3.29Å; E7-I39 HydrophobicContact CG-CD1 4.17Å
8	V	94.9	Very high	91.1	Very high	63 Å²	63	72.3 Å²	72.3	38%	0.382	38%	0.382	S	S	.	.	H	α-helix	trans	-64.7	-46.7	179.2	177.3	0	0	0	0	110.5	I3 S4 S5 F10 L11 V12	I3-V8 HydrophobicContact CG2-CG2 3.29Å; S4-V8 WeakPolarHBondContact O-CG2 3.49Å; S4-V8 PolarHBondContact O-N 2.96Å; S5-V8 PolarHBondContact O-N 2.74Å; V8-F10 VanDerWaalsContact C-N 3.31Å; V8-F10 PolarHBondContact O-N 3.28Å; V8-L11 PolarHBondContact O-N 3.44Å; V8-V12 HydrophobicContact CG1-CG2 4.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.43Å; V8-V12 PolarHBondContact O-N 3.38Å
9	N	95.8	Very high	91	Very high	42 Å²	42	70.9 Å²	70.9	23%	0.225	38%	0.379	C	S	.	.	H	α-helix	trans	-59.7	-44.1	177.9	-70.3	-16.2	0	0	0	110.5	S5 L11 V12 Y13 F28 I34	S5-N9 WeakPolarHBondContact O-CB 3.39Å; S5-N9 PolarHBondContact O-N 3.21Å; S5-N9 PolarHBondContact O-ND2 3.07Å; N9-L11 PolarHBondContact O-N 2.9Å; N9-V12 PolarHBondContact O-N 2.89Å; N9-Y13 VanDerWaalsContact O-CB 3.27Å; N9-Y13 WeakPolarHBondContact O-CB 3.33Å; N9-Y13 PolarHBondContact O-N 2.88Å; N9-F28 HydrophobicContact CB-CE1 3.96Å; N9-F28 HydrophobicContact CB-CZ 4.1Å; N9-F28 VanDerWaalsContact O-CE1 3.28Å; N9-F28 WeakPolarHBondContact O-CE1 3.48Å; N9-I34 HydrophobicContact CB-CD1 4.02Å
10	F	95.1	Very high	90.8	Very high	16 Å²	16	70.2 Å²	70.2	7%	0.07	39%	0.389	C	S	.	.	H	α-helix	trans	-61.3	-43.4	177.6	-170.7	-88.9	0	0	0	112.4	D6 E7 V8 Y13 R14 I34 I39 V44	D6-F10 VanDerWaalsContact O-CB 3.3Å; D6-F10 WeakPolarHBondContact O-CB 3.47Å; D6-F10 PolarHBondContact O-N 3.41Å; E7-F10 PolarHBondContact O-N 2.93Å; V8-F10 VanDerWaalsContact C-N 3.31Å; V8-F10 PolarHBondContact O-N 3.28Å; F10-Y13 PolarHBondContact O-N 3.4Å; F10-R14 HydrophobicContact CD1-CG 3.83Å; F10-R14 HydrophobicContact CE1-CG 3.36Å; F10-R14 HydrophobicContact CZ-CG 3.75Å; F10-R14 WeakPolarHBondContact O-CB 3.39Å; F10-R14 VanDerWaalsContact O-CG 3.28Å; F10-R14 WeakPolarHBondContact O-CG 3.32Å; F10-R14 PolarHBondContact O-N 3.49Å; F10-I34 HydrophobicContact CB-CD1 4.11Å; F10-I34 HydrophobicContact CD2-CD1 4.3Å; F10-I34 HydrophobicContact CD2-CG2 4.07Å; F10-I34 HydrophobicContact CE2-CG2 4.33Å; F10-I39 HydrophobicContact CB-CD1 3.59Å; F10-I39 HydrophobicContact CD1-CG2 3.73Å; F10-I39 HydrophobicContact CD2-CB 4.15Å; F10-I39 HydrophobicContact CD2-CG2 4.08Å; F10-I39 HydrophobicContact CE1-CG2 3.88Å; F10-I39 HydrophobicContact CE2-CG2 4.23Å; F10-I39 HydrophobicContact CG-CB 4.21Å; F10-I39 HydrophobicContact CG-CD1 3.99Å; F10-I39 HydrophobicContact CG-CG2 3.85Å; F10-I39 HydrophobicContact CZ-CG2 4.16Å; F10-V44 HydrophobicContact CD1-CG2 4.11Å; F10-V44 HydrophobicContact CE1-CB 4Å; F10-V44 HydrophobicContact CE1-CG1 4.27Å; F10-V44 HydrophobicContact CE1-CG2 3.66Å
11	L	96.1	Very high	90.7	Very high	33 Å²	33	72 Å²	72	17%	0.173	39%	0.393	C	S	.	.	H	α-helix	trans	-65	-39.6	176.8	-70.4	175.1	0	0	0	112.6	E7 V8 N9 Y15 V44 A48 L49 I52	E7-L11 WeakPolarHBondContact O-CG 3.14Å; E7-L11 PolarHBondContact O-N 3.29Å; V8-L11 PolarHBondContact O-N 3.44Å; N9-L11 PolarHBondContact O-N 2.9Å; L11-Y15 VanDerWaalsContact O-CB 3.3Å; L11-Y15 WeakPolarHBondContact O-CB 3.38Å; L11-Y15 PolarHBondContact O-N 3.43Å; L11-V44 HydrophobicContact CD2-CG1 3.93Å; L11-A48 HydrophobicContact CD2-CB 3.74Å; L11-L49 HydrophobicContact CB-CB 4.18Å; L11-L49 HydrophobicContact CB-CD1 4.13Å; L11-I52 HydrophobicContact CD1-CD1 3.72Å
12	V	96.6	Very high	91.8	Very high	39 Å²	39	62.5 Å²	62.5	24%	0.236	35%	0.35	C	S	.	.	H	α-helix	trans	-66	-46.2	174.9	172	0	0	0	0	110.8	V8 N9 R14 Y15 L16 F28 L49	V8-V12 HydrophobicContact CG1-CG2 4.32Å; V8-V12 WeakPolarHBondContact O-CG2 3.43Å; V8-V12 PolarHBondContact O-N 3.38Å; N9-V12 PolarHBondContact O-N 2.89Å; V12-R14 PolarHBondContact O-N 2.88Å; V12-Y15 PolarHBondContact O-N 3.42Å; V12-L16 HydrophobicContact CG1-CD1 4Å; V12-L16 HydrophobicContact CG1-CG 4.37Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 2.9Å; V12-F28 HydrophobicContact CB-CE1 3.97Å; V12-F28 HydrophobicContact CB-CZ 3.93Å; V12-F28 HydrophobicContact CG1-CD1 4.29Å; V12-F28 HydrophobicContact CG1-CD2 4.42Å; V12-F28 HydrophobicContact CG1-CE1 3.86Å; V12-F28 HydrophobicContact CG1-CE2 3.98Å; V12-F28 HydrophobicContact CG1-CZ 3.68Å; V12-L49 HydrophobicContact CG2-CD2 4.19Å
13	Y	95.6	Very high	91.5	Very high	49 Å²	49	60.8 Å²	60.8	19%	0.192	33%	0.329	C	S	.	.	H	α-helix	trans	-55.2	-50.7	175	170	-105.6	0	0	0	111.3	N9 F10 L16 Q17 A25 I34	N9-Y13 VanDerWaalsContact O-CB 3.27Å; N9-Y13 WeakPolarHBondContact O-CB 3.33Å; N9-Y13 PolarHBondContact O-N 2.88Å; F10-Y13 PolarHBondContact O-N 3.4Å; Y13-L16 PolarHBondContact O-N 3.42Å; Y13-Q17 VanDerWaalsContact CE1-CD 3.47Å; Y13-Q17 HydrophobicContact CE1-CG 4.3Å; Y13-Q17 HydrophobicContact CE2-CG 4.24Å; Y13-Q17 WeakPolarHBondContact O-CG 3.4Å; Y13-Q17 PolarHBondContact O-N 3.34Å; Y13-Q17 PolarHBondContact OH-NE2 2.62Å; Y13-A25 HydrophobicContact CD2-CB 4.21Å; Y13-A25 WeakPolarHBondContact CD2-O 3.34Å; Y13-A25 HydrophobicContact CE2-CB 4.2Å; Y13-A25 WeakPolarHBondContact CE2-O 3.33Å; Y13-I34 HydrophobicContact CD1-CG1 4.38Å; Y13-I34 HydrophobicContact CD1-CG2 3.94Å; Y13-I34 HydrophobicContact CD2-CG1 4.32Å; Y13-I34 HydrophobicContact CE1-CG2 4.06Å; Y13-I34 HydrophobicContact CG-CD1 4.44Å; Y13-I34 HydrophobicContact CG-CG1 3.96Å; Y13-I34 HydrophobicContact CG-CG2 4.33Å
14	R	94	Very high	91.8	Very high	57 Å²	57	57.1 Å²	57.1	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-61.1	-44.7	177.2	-74.1	-62.1	-58.5	-174.5	-3.7	112.3	F10 V12 L16 Q17 E18	F10-R14 HydrophobicContact CD1-CG 3.83Å; F10-R14 HydrophobicContact CE1-CG 3.36Å; F10-R14 HydrophobicContact CZ-CG 3.75Å; F10-R14 WeakPolarHBondContact O-CB 3.39Å; F10-R14 VanDerWaalsContact O-CG 3.28Å; F10-R14 WeakPolarHBondContact O-CG 3.32Å; F10-R14 PolarHBondContact O-N 3.49Å; V12-R14 PolarHBondContact O-N 2.88Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 2.95Å; R14-Q17 WeakPolarHBondContact O-CB 3.31Å; R14-Q17 PolarHBondContact O-N 2.91Å; R14-Q17 VanDerWaalsContact O-N 3.16Å; R14-E18 IonicContact CZ-OE1 3.53Å; R14-E18 IonicContact NE-OE1 2.79Å; R14-E18 PolarHBondContact NE-OE1 3.07Å; R14-E18 VanDerWaalsContact NE-OE1 3.13Å; R14-E18 IonicContact NH2-OE1 3.34Å; R14-E18 PolarHBondContact NH2-OE1 2.98Å; R14-E18 VanDerWaalsContact O-CB 3.31Å; R14-E18 WeakPolarHBondContact O-CB 3.34Å; R14-E18 WeakPolarHBondContact O-CG 3.32Å; R14-E18 PolarHBondContact O-N 3.38Å
15	Y	96	Very high	91.9	Very high	82 Å²	82	54.9 Å²	54.9	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-44.5	175.2	168.3	-104	0	0	0	112	L11 V12 Q17 E18 S19 L49 I50	L11-Y15 VanDerWaalsContact O-CB 3.3Å; L11-Y15 WeakPolarHBondContact O-CB 3.38Å; L11-Y15 PolarHBondContact O-N 3.43Å; V12-Y15 PolarHBondContact O-N 3.42Å; Y15-Q17 VanDerWaalsContact C-N 3.32Å; Y15-Q17 PolarHBondContact O-N 3.35Å; Y15-E18 PolarHBondContact O-N 2.85Å; Y15-S19 WeakPolarHBondContact CD2-OG 3.38Å; Y15-S19 WeakPolarHBondContact CE2-OG 3.41Å; Y15-S19 VanDerWaalsContact O-CB 3.24Å; Y15-S19 WeakPolarHBondContact O-CB 3.42Å; Y15-S19 PolarHBondContact O-N 2.88Å; Y15-S19 PolarHBondContact O-OG 3.42Å; Y15-S19 VanDerWaalsContact O-OG 3.06Å; Y15-L49 HydrophobicContact CD1-CD2 4.15Å; Y15-L49 HydrophobicContact CD2-CD2 4.46Å; Y15-L49 HydrophobicContact CG-CD2 3.79Å; Y15-I50 HydrophobicContact CD2-CD1 4.05Å; Y15-I50 HydrophobicContact CD2-CG1 3.86Å; Y15-I50 HydrophobicContact CE2-CD1 3.9Å; Y15-I50 HydrophobicContact CE2-CG1 3.93Å
16	L	96.4	Very high	91.8	Very high	24 Å²	24	57.5 Å²	57.5	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-62.9	-38.5	176.6	-67.5	170.5	0	0	0	111.6	V12 Y13 R14 F21 A25 F28	V12-L16 HydrophobicContact CG1-CD1 4Å; V12-L16 HydrophobicContact CG1-CG 4.37Å; V12-L16 VanDerWaalsContact O-CG 3.26Å; V12-L16 WeakPolarHBondContact O-CG 3.4Å; V12-L16 PolarHBondContact O-N 2.9Å; Y13-L16 PolarHBondContact O-N 3.42Å; R14-L16 VanDerWaalsContact C-N 3.32Å; R14-L16 PolarHBondContact O-N 2.95Å; L16-F21 HydrophobicContact CB-CB 4.26Å; L16-F21 HydrophobicContact CD2-CB 3.92Å; L16-F21 HydrophobicContact CD2-CD2 3.98Å; L16-F21 HydrophobicContact CD2-CG 4.27Å; L16-F21 CarbonylContact O-C 3.48Å; L16-F21 VanDerWaalsContact O-CA 3.3Å; L16-F21 WeakPolarHBondContact O-CA 3.47Å; L16-F21 WeakPolarHBondContact O-CB 3.08Å; L16-F21 PolarHBondContact O-N 3.38Å; L16-A25 HydrophobicContact CB-CB 3.59Å; L16-F28 HydrophobicContact CD1-CB 3.99Å; L16-F28 HydrophobicContact CD1-CD1 4.49Å; L16-F28 HydrophobicContact CD1-CG 4.13Å
17	Q	91.6	Very high	91.9	Very high	61 Å²	61	56.7 Å²	56.7	29%	0.285	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-48.4	173.3	-67.2	-172.3	-61	0	0	111.8	Y13 R14 Y15 S19 G20 A25	Y13-Q17 VanDerWaalsContact CE1-CD 3.47Å; Y13-Q17 HydrophobicContact CE1-CG 4.3Å; Y13-Q17 HydrophobicContact CE2-CG 4.24Å; Y13-Q17 WeakPolarHBondContact O-CG 3.4Å; Y13-Q17 PolarHBondContact O-N 3.34Å; Y13-Q17 PolarHBondContact OH-NE2 2.62Å; R14-Q17 WeakPolarHBondContact O-CB 3.31Å; R14-Q17 PolarHBondContact O-N 2.91Å; R14-Q17 VanDerWaalsContact O-N 3.16Å; Y15-Q17 VanDerWaalsContact C-N 3.32Å; Y15-Q17 PolarHBondContact O-N 3.35Å; Q17-S19 VanDerWaalsContact C-N 3.32Å; Q17-S19 PolarHBondContact O-N 2.92Å; Q17-G20 PolarHBondContact O-N 3.46Å; Q17-A25 HydrophobicContact CB-CB 4.44Å; Q17-A25 HydrophobicContact CG-CB 3.58Å
18	E	91.1	Very high	92	Very high	39 Å²	39	54.6 Å²	54.6	18%	0.182	29%	0.289	C	S	.	.	H	α-helix	trans	-69.9	-28.8	-174.6	-70.9	164.3	-171.6	0	0	112.4	R14 Y15 G20 A47	R14-E18 IonicContact CZ-OE1 3.53Å; R14-E18 IonicContact NE-OE1 2.79Å; R14-E18 PolarHBondContact NE-OE1 3.07Å; R14-E18 VanDerWaalsContact NE-OE1 3.13Å; R14-E18 IonicContact NH2-OE1 3.34Å; R14-E18 PolarHBondContact NH2-OE1 2.98Å; R14-E18 VanDerWaalsContact O-CB 3.31Å; R14-E18 WeakPolarHBondContact O-CB 3.34Å; R14-E18 WeakPolarHBondContact O-CG 3.32Å; R14-E18 PolarHBondContact O-N 3.38Å; Y15-E18 PolarHBondContact O-N 2.85Å; E18-G20 VanDerWaalsContact C-N 3.31Å; E18-A47 WeakPolarHBondContact OE2-CA 3.45Å; E18-A47 PolarHBondContact OE2-N 3.28Å
19	S	89.7	Confident	92	Very high	46 Å²	46	52 Å²	52	32%	0.322	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	10.5	175	-59.2	0	0	0	0	113.4	Y15 Q17 F21	Y15-S19 WeakPolarHBondContact CD2-OG 3.38Å; Y15-S19 WeakPolarHBondContact CE2-OG 3.41Å; Y15-S19 VanDerWaalsContact O-CB 3.24Å; Y15-S19 WeakPolarHBondContact O-CB 3.42Å; Y15-S19 PolarHBondContact O-N 2.88Å; Y15-S19 PolarHBondContact O-OG 3.42Å; Y15-S19 VanDerWaalsContact O-OG 3.06Å; Q17-S19 VanDerWaalsContact C-N 3.32Å; Q17-S19 PolarHBondContact O-N 2.92Å; S19-F21 PolarHBondContact O-N 2.88Å
20	G	87	Confident	91.8	Very high	56 Å²	56	54.7 Å²	54.7	58%	0.577	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	3.2	176.9	0	0	0	0	0	115.4	Q17 E18 S22	Q17-G20 PolarHBondContact O-N 3.46Å; E18-G20 VanDerWaalsContact C-N 3.31Å; G20-S22 PolarHBondContact O-N 3.34Å
21	F	89.6	Confident	91.8	Very high	109 Å²	109	60.7 Å²	60.7	48%	0.478	32%	0.316	S	S	.	.			trans	-78.4	49.5	174.3	-56.7	-63.9	0	0	0	112.2	L16 S19 H23 S24 A25	L16-F21 HydrophobicContact CB-CB 4.26Å; L16-F21 HydrophobicContact CD2-CB 3.92Å; L16-F21 HydrophobicContact CD2-CD2 3.98Å; L16-F21 HydrophobicContact CD2-CG 4.27Å; L16-F21 CarbonylContact O-C 3.48Å; L16-F21 VanDerWaalsContact O-CA 3.3Å; L16-F21 WeakPolarHBondContact O-CA 3.47Å; L16-F21 WeakPolarHBondContact O-CB 3.08Å; L16-F21 PolarHBondContact O-N 3.38Å; S19-F21 PolarHBondContact O-N 2.88Å; F21-H23 PolarHBondContact O-N 3.37Å; F21-S24 WeakPolarHBondContact O-CB 3.46Å; F21-S24 PolarHBondContact O-N 2.9Å; F21-A25 PolarHBondContact O-N 3Å
22	S	84.4	Confident	91.7	Very high	41 Å²	41	60.1 Å²	60.1	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-55.8	-29.5	-170.9	-50.7	0	0	0	0	113.8	G20 F26 Y245	G20-S22 PolarHBondContact O-N 3.34Å; S22-F26 WeakPolarHBondContact O-CB 3.34Å; S22-F26 PolarHBondContact O-N 3.3Å; S22-Y245 VanDerWaalsContact C-OH 3.25Å; S22-Y245 WeakPolarHBondContact CB-OH 3.14Å
23	H	74.4	Confident	91.5	Very high	80 Å²	80	63.6 Å²	63.6	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-72.3	-47.5	178.8	-94.2	-59.8	0	0	0	111.4	F21 A25 F26 T27 Y245 P268	F21-H23 PolarHBondContact O-N 3.37Å; H23-A25 VanDerWaalsContact C-N 3.27Å; H23-F26 PolarHBondContact O-N 2.9Å; H23-T27 WeakPolarHBondContact O-CB 3.21Å; H23-T27 PolarHBondContact O-N 2.89Å; H23-T27 PolarHBondContact O-OG1 2.77Å; H23-Y245 VanDerWaalsContact CA-OH 3.23Å; H23-Y245 WeakPolarHBondContact CA-OH 3.43Å; H23-Y245 WeakPolarHBondContact CB-OH 3.46Å; H23-Y245 AromaticContact CD2-CE1 3.9Å; H23-Y245 AromaticContact CD2-CZ 3.48Å; H23-Y245 VanDerWaalsContact CD2-CZ 3.48Å; H23-Y245 PolarHBondContact CD2-OH 3.2Å; H23-Y245 AromaticContact CE1-CE1 3.23Å; H23-Y245 WeakPolarHBondContact CE1-CE1 3.47Å; H23-Y245 AromaticContact CE1-CZ 3.67Å; H23-Y245 AromaticContact CG-CZ 3.77Å; H23-Y245 PolarHBondContact N-OH 3.4Å; H23-Y245 AromaticContact ND1-CE1 3.67Å; H23-Y245 AromaticContact ND1-CZ 3.88Å; H23-Y245 PolarHBondContact ND1-OH 3.42Å; H23-Y245 AromaticContact NE2-CE1 3.39Å; H23-Y245 WeakPolarHBondContact NE2-CE1 3.23Å; H23-Y245 AromaticContact NE2-CZ 3.44Å; H23-Y245 PolarHBondContact NE2-OH 2.58Å; H23-P268 WeakPolarHBondContact NE2-CD 3.47Å; H23-P268 WeakPolarHBondContact NE2-CG 3.19Å
24	S	92.7	Very high	91.2	Very high	60 Å²	60	62.2 Å²	62.2	42%	0.42	33%	0.325	S	S	.	.	H	α-helix	trans	-61.5	-43.2	174.3	-55.9	0	0	0	0	109	F21 F28	F21-S24 WeakPolarHBondContact O-CB 3.46Å; F21-S24 PolarHBondContact O-N 2.9Å; S24-F28 WeakPolarHBondContact O-CA 3.36Å; S24-F28 WeakPolarHBondContact O-CB 3.33Å; S24-F28 PolarHBondContact O-N 3.04Å
25	A	93.3	Very high	90.7	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.008	35%	0.35	C	S	.	.	H	α-helix	trans	-59.7	-49.3	175.9	0	0	0	0	0	112	Y13 L16 Q17 F21 H23 G29	Y13-A25 HydrophobicContact CD2-CB 4.21Å; Y13-A25 WeakPolarHBondContact CD2-O 3.34Å; Y13-A25 HydrophobicContact CE2-CB 4.2Å; Y13-A25 WeakPolarHBondContact CE2-O 3.33Å; L16-A25 HydrophobicContact CB-CB 3.59Å; Q17-A25 HydrophobicContact CB-CB 4.44Å; Q17-A25 HydrophobicContact CG-CB 3.58Å; F21-A25 PolarHBondContact O-N 3Å; H23-A25 VanDerWaalsContact C-N 3.27Å; A25-G29 WeakPolarHBondContact O-CA 3.13Å; A25-G29 PolarHBondContact O-N 3.33Å
26	F	89.3	Confident	90.3	Very high	134 Å²	134	67.6 Å²	67.6	59%	0.588	37%	0.367	S	S	*	.	H	α-helix	trans	-61.7	-51.7	179.1	177.9	-93.9	0	0	0	111.8	S22 H23 F28 G29 I30	S22-F26 WeakPolarHBondContact O-CB 3.34Å; S22-F26 PolarHBondContact O-N 3.3Å; H23-F26 PolarHBondContact O-N 2.9Å; F26-F28 PolarHBondContact O-N 3.38Å; F26-G29 PolarHBondContact O-N 2.92Å; F26-G29 VanDerWaalsContact O-N 3.16Å; F26-I30 HydrophobicContact CD1-CG1 4.49Å; F26-I30 HydrophobicContact CE1-CG1 4.04Å; F26-I30 HydrophobicContact CE2-CG1 4.38Å; F26-I30 HydrophobicContact CZ-CD1 4.32Å; F26-I30 HydrophobicContact CZ-CG1 3.98Å; F26-I30 WeakPolarHBondContact O-CG1 3.29Å; F26-I30 PolarHBondContact O-N 3.26Å
27	T	93.4	Very high	89.7	Confident	64 Å²	64	67.6 Å²	67.6	39%	0.393	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-49.4	-179.4	-52.8	0	0	0	0	110.2	H23 G29 I30 E31	H23-T27 WeakPolarHBondContact O-CB 3.21Å; H23-T27 PolarHBondContact O-N 2.89Å; H23-T27 PolarHBondContact O-OG1 2.77Å; T27-G29 VanDerWaalsContact C-N 3.31Å; T27-G29 PolarHBondContact O-N 3.18Å; T27-I30 PolarHBondContact O-N 3.03Å; T27-E31 HydrophobicContact CG2-CG 4.41Å; T27-E31 WeakPolarHBondContact CG2-OE1 3.44Å; T27-E31 WeakPolarHBondContact O-CB 3.25Å; T27-E31 WeakPolarHBondContact O-CG 3.48Å; T27-E31 PolarHBondContact O-N 3.02Å
28	F	95.9	Very high	89.6	Confident	51 Å²	51	72.7 Å²	72.7	22%	0.224	40%	0.398	C	S	.	.	H	α-helix	trans	-59.5	-41.6	175.5	-174.5	-90.3	0	0	0	111.5	N9 V12 L16 S24 F26 I30 E31 S32	N9-F28 HydrophobicContact CB-CE1 3.96Å; N9-F28 HydrophobicContact CB-CZ 4.1Å; N9-F28 VanDerWaalsContact O-CE1 3.28Å; N9-F28 WeakPolarHBondContact O-CE1 3.48Å; V12-F28 HydrophobicContact CB-CE1 3.97Å; V12-F28 HydrophobicContact CB-CZ 3.93Å; V12-F28 HydrophobicContact CG1-CD1 4.29Å; V12-F28 HydrophobicContact CG1-CD2 4.42Å; V12-F28 HydrophobicContact CG1-CE1 3.86Å; V12-F28 HydrophobicContact CG1-CE2 3.98Å; V12-F28 HydrophobicContact CG1-CZ 3.68Å; L16-F28 HydrophobicContact CD1-CB 3.99Å; L16-F28 HydrophobicContact CD1-CD1 4.49Å; L16-F28 HydrophobicContact CD1-CG 4.13Å; S24-F28 WeakPolarHBondContact O-CA 3.36Å; S24-F28 WeakPolarHBondContact O-CB 3.33Å; S24-F28 PolarHBondContact O-N 3.04Å; F26-F28 PolarHBondContact O-N 3.38Å; F28-I30 VanDerWaalsContact C-N 3.32Å; F28-I30 PolarHBondContact O-N 3.33Å; F28-E31 PolarHBondContact O-N 3.49Å; F28-S32 WeakPolarHBondContact CE1-OG 2.89Å; F28-S32 VanDerWaalsContact O-CB 3.24Å; F28-S32 WeakPolarHBondContact O-CB 3.43Å; F28-S32 PolarHBondContact O-N 2.89Å; F28-S32 PolarHBondContact O-OG 2.87Å
29	G	93.5	Very high	89.5	Confident	8 Å²	8	73.2 Å²	73.2	8%	0.082	40%	0.402	C	S	.	.	H	α-helix	trans	-62.8	-36.6	179.1	0	0	0	0	0	113.1	A25 F26 T27 H33 I34	A25-G29 WeakPolarHBondContact O-CA 3.13Å; A25-G29 PolarHBondContact O-N 3.33Å; F26-G29 PolarHBondContact O-N 2.92Å; F26-G29 VanDerWaalsContact O-N 3.16Å; T27-G29 VanDerWaalsContact C-N 3.31Å; T27-G29 PolarHBondContact O-N 3.18Å; G29-H33 PolarHBondContact O-N 3.46Å; G29-I34 PolarHBondContact O-N 3.42Å
30	I	92.3	Very high	89.5	Confident	98 Å²	98	75.7 Å²	75.7	50%	0.503	41%	0.411	S	S	.	.	H	α-helix	trans	-71.6	-50.1	172.2	-63.9	-59.8	0	0	0	110.9	F26 T27 F28 S32 H33	F26-I30 HydrophobicContact CD1-CG1 4.49Å; F26-I30 HydrophobicContact CE1-CG1 4.04Å; F26-I30 HydrophobicContact CE2-CG1 4.38Å; F26-I30 HydrophobicContact CZ-CD1 4.32Å; F26-I30 HydrophobicContact CZ-CG1 3.98Å; F26-I30 WeakPolarHBondContact O-CG1 3.29Å; F26-I30 PolarHBondContact O-N 3.26Å; T27-I30 PolarHBondContact O-N 3.03Å; F28-I30 VanDerWaalsContact C-N 3.32Å; F28-I30 PolarHBondContact O-N 3.33Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 3.32Å; I30-H33 PolarHBondContact O-N 2.86Å; I30-H33 PolarHBondContact O-ND1 3.46Å
31	E	94.1	Very high	89.4	Confident	142 Å²	142	74.1 Å²	74.1	66%	0.664	40%	0.395	S	S	*	.	H	α-helix	trans	-64	-35.2	-177	-73.4	179	-178.7	0	0	113	T27 F28	T27-E31 HydrophobicContact CG2-CG 4.41Å; T27-E31 WeakPolarHBondContact CG2-OE1 3.44Å; T27-E31 WeakPolarHBondContact O-CB 3.25Å; T27-E31 WeakPolarHBondContact O-CG 3.48Å; T27-E31 PolarHBondContact O-N 3.02Å; F28-E31 PolarHBondContact O-N 3.49Å
32	S	94.1	Very high	89.2	Confident	22 Å²	22	73.3 Å²	73.3	15%	0.154	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	3.4	177.9	64	0	0	0	0	113.7	F28 I30 I34	F28-S32 WeakPolarHBondContact CE1-OG 2.89Å; F28-S32 VanDerWaalsContact O-CB 3.24Å; F28-S32 WeakPolarHBondContact O-CB 3.43Å; F28-S32 PolarHBondContact O-N 2.89Å; F28-S32 PolarHBondContact O-OG 2.87Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 3.32Å; S32-I34 VanDerWaalsContact C-N 3.3Å; S32-I34 PolarHBondContact O-N 3.11Å; S32-I34 WeakPolarHBondContact OG-CG1 3.2Å
33	H	92.3	Very high	89.4	Confident	111 Å²	111	78 Å²	78	51%	0.514	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	41	179.5	-59.6	-59.9	0	0	0	114.2	G29 I30 S35 Q36	G29-H33 PolarHBondContact O-N 3.46Å; I30-H33 PolarHBondContact O-N 2.86Å; I30-H33 PolarHBondContact O-ND1 3.46Å; H33-S35 PolarHBondContact O-N 3.46Å; H33-S35 VanDerWaalsContact O-N 3.11Å; H33-Q36 HydrophobicContact CB-CB 4.47Å; H33-Q36 HydrophobicContact CB-CG 4.43Å; H33-Q36 WeakPolarHBondContact O-CB 3.26Å; H33-Q36 PolarHBondContact O-N 2.89Å
34	I	89.7	Confident	90.2	Very high	20 Å²	20	75.6 Å²	75.6	10%	0.103	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-53.6	-36.3	-179.7	-70.9	-64.5	0	0	0	112.5	N9 F10 Y13 G29 S32 Q36 S37	N9-I34 HydrophobicContact CB-CD1 4.02Å; F10-I34 HydrophobicContact CB-CD1 4.11Å; F10-I34 HydrophobicContact CD2-CD1 4.3Å; F10-I34 HydrophobicContact CD2-CG2 4.07Å; F10-I34 HydrophobicContact CE2-CG2 4.33Å; Y13-I34 HydrophobicContact CD1-CG1 4.38Å; Y13-I34 HydrophobicContact CD1-CG2 3.94Å; Y13-I34 HydrophobicContact CD2-CG1 4.32Å; Y13-I34 HydrophobicContact CE1-CG2 4.06Å; Y13-I34 HydrophobicContact CG-CD1 4.44Å; Y13-I34 HydrophobicContact CG-CG1 3.96Å; Y13-I34 HydrophobicContact CG-CG2 4.33Å; G29-I34 PolarHBondContact O-N 3.42Å; S32-I34 VanDerWaalsContact C-N 3.3Å; S32-I34 PolarHBondContact O-N 3.11Å; S32-I34 WeakPolarHBondContact OG-CG1 3.2Å; I34-Q36 PolarHBondContact O-N 3.21Å; I34-Q36 VanDerWaalsContact O-N 3.16Å; I34-S37 WeakPolarHBondContact O-CB 3.29Å; I34-S37 PolarHBondContact O-N 2.97Å
35	S	84	Confident	90.1	Very high	108 Å²	108	76.7 Å²	76.7	76%	0.755	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-65	-15.4	179	56.8	0	0	0	0	114.4	H33	H33-S35 PolarHBondContact O-N 3.46Å; H33-S35 VanDerWaalsContact O-N 3.11Å
36	Q	87	Confident	89.8	Confident	144 Å²	144	80.2 Å²	80.2	67%	0.673	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-95.9	-4.8	173.6	-58.7	-179.8	11.4	0	0	112.4	H33 I34	H33-Q36 HydrophobicContact CB-CB 4.47Å; H33-Q36 HydrophobicContact CB-CG 4.43Å; H33-Q36 WeakPolarHBondContact O-CB 3.26Å; H33-Q36 PolarHBondContact O-N 2.89Å; I34-Q36 PolarHBondContact O-N 3.21Å; I34-Q36 VanDerWaalsContact O-N 3.16Å
37	S	85.4	Confident	90	Very high	24 Å²	24	75.4 Å²	75.4	17%	0.168	43%	0.434	C	S	.	.			trans	-69.1	139.7	176.3	-176	0	0	0	0	110.9	I34 I39	I34-S37 WeakPolarHBondContact O-CB 3.29Å; I34-S37 PolarHBondContact O-N 2.97Å; S37-I39 PolarHBondContact O-N 3.46Å; S37-I39 WeakPolarHBondContact OG-CB 3.34Å; S37-I39 WeakPolarHBondContact OG-CD1 3.27Å; S37-I39 VanDerWaalsContact OG-CG1 3.27Å; S37-I39 WeakPolarHBondContact OG-CG1 3.44Å; S37-I39 PolarHBondContact OG-N 3.31Å
38	N	88.6	Confident	90	Very high	169 Å²	169	73 Å²	73	90%	0.904	42%	0.421	S	S	*	.			trans	-82.3	8	174.2	-67.9	-43.4	0	0	0	112.9	N40	N38-N40 PolarHBondContact O-N 3.39Å
39	I	89.9	Confident	90	Very high	50 Å²	50	72 Å²	72	26%	0.256	42%	0.418	S	S	.	.			trans	-76.9	121.3	-177.8	-63.8	168.3	0	0	0	109.8	D6 E7 F10 S37 G41 V44	D6-I39 WeakPolarHBondContact O-CD1 3.33Å; E7-I39 HydrophobicContact CG-CD1 4.17Å; F10-I39 HydrophobicContact CB-CD1 3.59Å; F10-I39 HydrophobicContact CD1-CG2 3.73Å; F10-I39 HydrophobicContact CD2-CB 4.15Å; F10-I39 HydrophobicContact CD2-CG2 4.08Å; F10-I39 HydrophobicContact CE1-CG2 3.88Å; F10-I39 HydrophobicContact CE2-CG2 4.23Å; F10-I39 HydrophobicContact CG-CB 4.21Å; F10-I39 HydrophobicContact CG-CD1 3.99Å; F10-I39 HydrophobicContact CG-CG2 3.85Å; F10-I39 HydrophobicContact CZ-CG2 4.16Å; S37-I39 PolarHBondContact O-N 3.46Å; S37-I39 WeakPolarHBondContact OG-CB 3.34Å; S37-I39 WeakPolarHBondContact OG-CD1 3.27Å; S37-I39 VanDerWaalsContact OG-CG1 3.27Å; S37-I39 WeakPolarHBondContact OG-CG1 3.44Å; S37-I39 PolarHBondContact OG-N 3.31Å; I39-G41 PolarHBondContact O-N 2.91Å; I39-V44 HydrophobicContact CG2-CG2 4.06Å
40	N	88.5	Confident	90	Very high	97 Å²	97	73.6 Å²	73.6	52%	0.519	42%	0.424	S	S	.	.			trans	-77.9	100.3	171.1	-177	-5.7	0	0	0	109.9	N38 A42 L43	N38-N40 PolarHBondContact O-N 3.39Å; N40-A42 PolarHBondContact O-N 2.98Å; N40-A42 VanDerWaalsContact O-N 3.1Å; N40-A42 WeakPolarHBondContact OD1-CB 3.46Å; N40-A42 PolarHBondContact OD1-N 2.93Å; N40-A42 VanDerWaalsContact OD1-N 3.14Å; N40-L43 HydrophobicContact CB-CD1 4.13Å; N40-L43 HydrophobicContact CB-CG 4.29Å; N40-L43 PolarHBondContact O-N 3.46Å
41	G	84.9	Confident	90	Very high	23 Å²	23	71 Å²	71	24%	0.237	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-56.7	-25.1	-179	0	0	0	0	0	115.3	I39 L43 V44	I39-G41 PolarHBondContact O-N 2.91Å; G41-L43 PolarHBondContact O-N 3.19Å; G41-V44 PolarHBondContact O-N 3.07Å
42	A	86.4	Confident	90	Very high	93 Å²	93	68.8 Å²	68.8	77%	0.769	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-69.4	-17.2	177	0	0	0	0	0	113.6	N40	N40-A42 PolarHBondContact O-N 2.98Å; N40-A42 VanDerWaalsContact O-N 3.1Å; N40-A42 WeakPolarHBondContact OD1-CB 3.46Å; N40-A42 PolarHBondContact OD1-N 2.93Å; N40-A42 VanDerWaalsContact OD1-N 3.14Å
43	L	88.7	Confident	90	Very high	139 Å²	139	70.8 Å²	70.8	73%	0.728	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-90.9	-10.5	175.7	-62.3	177.9	0	0	0	113	N40 G41 P45	N40-L43 HydrophobicContact CB-CD1 4.13Å; N40-L43 HydrophobicContact CB-CG 4.29Å; N40-L43 PolarHBondContact O-N 3.46Å; G41-L43 PolarHBondContact O-N 3.19Å; L43-P45 WeakPolarHBondContact O-CD 3.4Å
44	V	89.9	Confident	89.9	Confident	29 Å²	29	70.3 Å²	70.3	18%	0.176	41%	0.412	C	S	.	.	S	Bend	trans	-91.8	113.6	178.3	-176.7	0	0	0	0	107.9	F10 L11 I39 G41 A48	F10-V44 HydrophobicContact CD1-CG2 4.11Å; F10-V44 HydrophobicContact CE1-CB 4Å; F10-V44 HydrophobicContact CE1-CG1 4.27Å; F10-V44 HydrophobicContact CE1-CG2 3.66Å; L11-V44 HydrophobicContact CD2-CG1 3.93Å; I39-V44 HydrophobicContact CG2-CG2 4.06Å; G41-V44 PolarHBondContact O-N 3.07Å; V44-A48 HydrophobicContact CG1-CB 3.69Å
45	P	90	Very high	90	Very high	83 Å²	83	75.8 Å²	75.8	54%	0.539	44%	0.436	S	S	.	.			trans	-65.6	151.9	179.9	26.8	-32.9	0	0	0	111	L43 A48	L43-P45 WeakPolarHBondContact O-CD 3.4Å; P45-A48 HydrophobicContact CG-CB 4.29Å; P45-A48 VanDerWaalsContact O-CB 3.25Å; P45-A48 WeakPolarHBondContact O-CB 3.37Å; P45-A48 PolarHBondContact O-N 3.46Å
46	P	88.8	Confident	90.4	Very high	76 Å²	76	72.3 Å²	72.3	49%	0.494	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	149.5	170.4	-24.1	33.9	0	0	0	111.7	A48	P46-A48 PolarHBondContact O-N 3.5Å; P46-A48 VanDerWaalsContact O-N 3.14Å
47	A	91.9	Very high	90.6	Very high	33 Å²	33	67.3 Å²	67.3	27%	0.273	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	20	-178	0	0	0	0	0	114.5	E18 L49 I50 S51	E18-A47 WeakPolarHBondContact OE2-CA 3.45Å; E18-A47 PolarHBondContact OE2-N 3.28Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.96Å; A47-I50 HydrophobicContact CB-CB 4.32Å; A47-I50 HydrophobicContact CB-CD1 4.32Å; A47-I50 WeakPolarHBondContact O-CB 3.46Å; A47-I50 PolarHBondContact O-N 2.73Å; A47-S51 PolarHBondContact O-N 3.41Å
48	A	94.5	Very high	90.6	Very high	13 Å²	13	72 Å²	72	11%	0.107	41%	0.414	C	S	.	.	H	α-helix	trans	-54.8	-42.6	-179.7	0	0	0	0	0	113	L11 V44 P45 P46 S51 I52	L11-A48 HydrophobicContact CD2-CB 3.74Å; V44-A48 HydrophobicContact CG1-CB 3.69Å; P45-A48 HydrophobicContact CG-CB 4.29Å; P45-A48 VanDerWaalsContact O-CB 3.25Å; P45-A48 WeakPolarHBondContact O-CB 3.37Å; P45-A48 PolarHBondContact O-N 3.46Å; P46-A48 PolarHBondContact O-N 3.5Å; P46-A48 VanDerWaalsContact O-N 3.14Å; A48-S51 PolarHBondContact O-N 3.27Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.49Å
49	L	95.7	Very high	90.7	Very high	31 Å²	31	71 Å²	71	16%	0.162	40%	0.399	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176.5	-177.3	58.4	0	0	0	111.2	L11 V12 Y15 A47 S51 I52 I53	L11-L49 HydrophobicContact CB-CB 4.18Å; L11-L49 HydrophobicContact CB-CD1 4.13Å; V12-L49 HydrophobicContact CG2-CD2 4.19Å; Y15-L49 HydrophobicContact CD1-CD2 4.15Å; Y15-L49 HydrophobicContact CD2-CD2 4.46Å; Y15-L49 HydrophobicContact CG-CD2 3.79Å; A47-L49 VanDerWaalsContact C-N 3.3Å; A47-L49 PolarHBondContact O-N 2.96Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 2.93Å; L49-I52 PolarHBondContact O-N 2.85Å; L49-I53 HydrophobicContact CD1-CD1 4.09Å; L49-I53 HydrophobicContact CD1-CG1 4.38Å; L49-I53 HydrophobicContact CG-CD1 3.88Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 2.82Å
50	I	93.6	Very high	90.6	Very high	40 Å²	40	69.8 Å²	69.8	21%	0.205	39%	0.394	C	S	.	.	H	α-helix	trans	-61.6	-43.6	178.9	-58.4	178.2	0	0	0	110.2	Y15 A47 I52 I53 Q54	Y15-I50 HydrophobicContact CD2-CD1 4.05Å; Y15-I50 HydrophobicContact CD2-CG1 3.86Å; Y15-I50 HydrophobicContact CE2-CD1 3.9Å; Y15-I50 HydrophobicContact CE2-CG1 3.93Å; A47-I50 HydrophobicContact CB-CB 4.32Å; A47-I50 HydrophobicContact CB-CD1 4.32Å; A47-I50 WeakPolarHBondContact O-CB 3.46Å; A47-I50 PolarHBondContact O-N 2.73Å; I50-I52 PolarHBondContact O-N 3.47Å; I50-I53 PolarHBondContact O-N 3.2Å; I50-Q54 HydrophobicContact CG2-CG 4.36Å; I50-Q54 WeakPolarHBondContact O-CG 3.24Å; I50-Q54 PolarHBondContact O-N 3.28Å
51	S	92.8	Very high	90.5	Very high	44 Å²	44	67 Å²	67	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-42	177.9	-172.7	0	0	0	0	112.4	A47 A48 L49 Q54 K55	A47-S51 PolarHBondContact O-N 3.41Å; A48-S51 PolarHBondContact O-N 3.27Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 2.93Å; S51-Q54 PolarHBondContact O-N 3.2Å; S51-K55 WeakPolarHBondContact O-CG 3.47Å; S51-K55 PolarHBondContact O-N 2.91Å; S51-K55 VanDerWaalsContact O-N 3.08Å
52	I	93	Very high	90.5	Very high	95 Å²	95	68 Å²	68	49%	0.487	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-44.3	176.2	-69.7	165.3	0	0	0	110.4	L11 A48 L49 I50 K55 G56	L11-I52 HydrophobicContact CD1-CD1 3.72Å; A48-I52 WeakPolarHBondContact O-CG1 3.38Å; A48-I52 PolarHBondContact O-N 3.49Å; L49-I52 PolarHBondContact O-N 2.85Å; I50-I52 PolarHBondContact O-N 3.47Å; I52-K55 PolarHBondContact O-N 2.99Å; I52-G56 PolarHBondContact O-N 3.19Å
53	I	94.2	Very high	90.5	Very high	65 Å²	65	67.4 Å²	67.4	33%	0.333	37%	0.365	S	S	.	.	H	α-helix	trans	-60.8	-45.8	177.4	-71.3	169.8	0	0	0	111.2	L49 I50 K55 G56 L57 L83	L49-I53 HydrophobicContact CD1-CD1 4.09Å; L49-I53 HydrophobicContact CD1-CG1 4.38Å; L49-I53 HydrophobicContact CG-CD1 3.88Å; L49-I53 VanDerWaalsContact O-CG1 3.29Å; L49-I53 WeakPolarHBondContact O-CG1 3.47Å; L49-I53 PolarHBondContact O-N 2.82Å; I50-I53 PolarHBondContact O-N 3.2Å; I53-K55 PolarHBondContact O-N 3.36Å; I53-G56 PolarHBondContact O-N 2.95Å; I53-G56 VanDerWaalsContact O-N 3.17Å; I53-L57 PolarHBondContact O-N 3.49Å; I53-L83 HydrophobicContact CG2-CD1 3.4Å; I53-L83 HydrophobicContact CG2-CD2 3.72Å; I53-L83 HydrophobicContact CG2-CG 4.21Å
54	Q	91.3	Very high	90.4	Very high	100 Å²	100	60.9 Å²	60.9	47%	0.467	33%	0.33	S	S	.	.	H	α-helix	trans	-60.5	-43	177.6	-74.9	173.5	-16.9	0	0	112.2	I50 S51 G56 L57 Q58	I50-Q54 HydrophobicContact CG2-CG 4.36Å; I50-Q54 WeakPolarHBondContact O-CG 3.24Å; I50-Q54 PolarHBondContact O-N 3.28Å; S51-Q54 PolarHBondContact O-N 3.2Å; Q54-G56 VanDerWaalsContact C-N 3.33Å; Q54-L57 PolarHBondContact O-N 3.49Å; Q54-Q58 WeakPolarHBondContact O-CG 3.45Å; Q54-Q58 PolarHBondContact O-N 2.93Å
55	K	91.4	Very high	89.9	Confident	135 Å²	135	60.1 Å²	60.1	59%	0.587	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-38.5	174.9	-72.3	172.4	-177.7	172.7	0	111.9	S51 I52 I53 Q58 Y59	S51-K55 WeakPolarHBondContact O-CG 3.47Å; S51-K55 PolarHBondContact O-N 2.91Å; S51-K55 VanDerWaalsContact O-N 3.08Å; I52-K55 PolarHBondContact O-N 2.99Å; I53-K55 PolarHBondContact O-N 3.36Å; K55-Q58 PolarHBondContact O-N 3.42Å; K55-Y59 PolarHBondContact O-N 3.2Å
56	G	91.5	Very high	89.5	Confident	36 Å²	36	59.4 Å²	59.4	37%	0.371	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-44.6	173.5	0	0	0	0	0	112.3	I52 I53 Q54 Y59 V60	I52-G56 PolarHBondContact O-N 3.19Å; I53-G56 PolarHBondContact O-N 2.95Å; I53-G56 VanDerWaalsContact O-N 3.17Å; Q54-G56 VanDerWaalsContact C-N 3.33Å; G56-Y59 WeakPolarHBondContact O-CB 3.36Å; G56-Y59 PolarHBondContact O-N 3Å; G56-V60 WeakPolarHBondContact O-CG2 3.43Å; G56-V60 PolarHBondContact O-N 3.17Å
57	L	90.7	Very high	88.8	Confident	38 Å²	38	57.6 Å²	57.6	20%	0.199	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-46.1	176.3	-176.3	61.4	0	0	0	111.9	I53 Q54 Y59 V60 E61 L81 A86	I53-L57 PolarHBondContact O-N 3.49Å; Q54-L57 PolarHBondContact O-N 3.49Å; L57-Y59 VanDerWaalsContact C-N 3.27Å; L57-Y59 PolarHBondContact O-N 3.35Å; L57-V60 PolarHBondContact O-N 3Å; L57-E61 WeakPolarHBondContact O-CG 3.48Å; L57-E61 PolarHBondContact O-N 3.26Å; L57-L81 HydrophobicContact CD1-CB 3.82Å; L57-A86 HydrophobicContact CD1-CB 3.31Å
58	Q	86.9	Confident	88	Confident	123 Å²	123	65 Å²	65	58%	0.575	33%	0.332	S	S	*	.	H	α-helix	trans	-60.9	-35.6	175.2	-70.9	171.3	14.5	0	0	112.4	Q54 K55 E61 A62	Q54-Q58 WeakPolarHBondContact O-CG 3.45Å; Q54-Q58 PolarHBondContact O-N 2.93Å; K55-Q58 PolarHBondContact O-N 3.42Å; Q58-E61 PolarHBondContact O-N 3.38Å; Q58-A62 WeakPolarHBondContact O-CB 3.18Å; Q58-A62 PolarHBondContact O-N 3.42Å
59	Y	89.2	Confident	87.2	Confident	149 Å²	149	70 Å²	70	58%	0.584	36%	0.357	S	S	*	.	H	α-helix	trans	-66	-44.4	175.2	-174.9	-95.7	0	0	0	111.7	K55 G56 L57 E61 A62 E63	K55-Y59 PolarHBondContact O-N 3.2Å; G56-Y59 WeakPolarHBondContact O-CB 3.36Å; G56-Y59 PolarHBondContact O-N 3Å; L57-Y59 VanDerWaalsContact C-N 3.27Å; L57-Y59 PolarHBondContact O-N 3.35Å; Y59-E61 VanDerWaalsContact C-N 3.35Å; Y59-E61 PolarHBondContact O-N 3.22Å; Y59-A62 WeakPolarHBondContact O-CB 3.49Å; Y59-A62 PolarHBondContact O-N 3.07Å; Y59-E63 HydrophobicContact CD1-CG 4.27Å; Y59-E63 VanDerWaalsContact CE1-CD 3.48Å; Y59-E63 HydrophobicContact CE1-CG 3.89Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.25Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.39Å; Y59-E63 PolarHBondContact O-N 3.26Å; Y59-E63 PolarHBondContact OH-OE1 3.39Å
60	V	88.2	Confident	86.2	Confident	24 Å²	24	71.1 Å²	71.1	15%	0.145	38%	0.377	C	S	.	.	H	α-helix	trans	-62.5	-42.4	175.3	176.7	0	0	0	0	111	G56 L57 A62 E63 V64 L81 A86 V91 V92	G56-V60 WeakPolarHBondContact O-CG2 3.43Å; G56-V60 PolarHBondContact O-N 3.17Å; L57-V60 PolarHBondContact O-N 3Å; V60-A62 VanDerWaalsContact C-N 3.3Å; V60-A62 PolarHBondContact O-N 3.21Å; V60-E63 PolarHBondContact O-N 3.46Å; V60-V64 VanDerWaalsContact O-CG2 3.27Å; V60-V64 WeakPolarHBondContact O-CG2 3.17Å; V60-V64 PolarHBondContact O-N 2.98Å; V60-L81 HydrophobicContact CG1-CD1 4.36Å; V60-A86 HydrophobicContact CG1-CB 4.3Å; V60-V91 HydrophobicContact CG1-CG1 4.07Å; V60-V92 HydrophobicContact CG1-CG2 4.23Å
61	E	86.3	Confident	85.4	Confident	38 Å²	38	72.4 Å²	72.4	18%	0.178	39%	0.387	C	S	.	.	H	α-helix	trans	-60.6	-39	174.4	-74.2	176.5	162.3	0	0	112.2	L57 Q58 Y59 V64 S65 I78 S80 L81	L57-E61 WeakPolarHBondContact O-CG 3.48Å; L57-E61 PolarHBondContact O-N 3.26Å; Q58-E61 PolarHBondContact O-N 3.38Å; Y59-E61 VanDerWaalsContact C-N 3.35Å; Y59-E61 PolarHBondContact O-N 3.22Å; E61-V64 PolarHBondContact O-N 2.88Å; E61-S65 PolarHBondContact O-N 2.94Å; E61-S65 PolarHBondContact O-OG 3.46Å; E61-I78 HydrophobicContact CB-CG2 4.47Å; E61-I78 HydrophobicContact CG-CG2 4.41Å; E61-S80 WeakPolarHBondContact OE1-CA 3.5Å; E61-L81 HydrophobicContact CG-CB 4.2Å; E61-L81 HydrophobicContact CG-CD1 3.81Å; E61-L81 PolarHBondContact OE1-N 2.87Å
62	A	85.1	Confident	84.4	Confident	44 Å²	44	76.2 Å²	76.2	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-44.1	174.6	0	0	0	0	0	112	Q58 Y59 V60 V64 S65 I66	Q58-A62 WeakPolarHBondContact O-CB 3.18Å; Q58-A62 PolarHBondContact O-N 3.42Å; Y59-A62 WeakPolarHBondContact O-CB 3.49Å; Y59-A62 PolarHBondContact O-N 3.07Å; V60-A62 VanDerWaalsContact C-N 3.3Å; V60-A62 PolarHBondContact O-N 3.21Å; A62-V64 VanDerWaalsContact C-N 3.35Å; A62-V64 PolarHBondContact O-N 3.32Å; A62-S65 WeakPolarHBondContact O-CB 3.47Å; A62-S65 PolarHBondContact O-N 3.17Å; A62-I66 WeakPolarHBondContact O-CD1 3.29Å; A62-I66 WeakPolarHBondContact O-CG1 3.34Å; A62-I66 PolarHBondContact O-N 3.45Å
63	E	86.9	Confident	83.3	Confident	81 Å²	81	73.6 Å²	73.6	38%	0.379	39%	0.388	S	S	.	.	H	α-helix	trans	-61.6	-40.7	175.7	-75	-168	149.7	0	0	112.4	Y59 V60 S65 I66 V92 Q96	Y59-E63 HydrophobicContact CD1-CG 4.27Å; Y59-E63 VanDerWaalsContact CE1-CD 3.48Å; Y59-E63 HydrophobicContact CE1-CG 3.89Å; Y59-E63 VanDerWaalsContact CE1-OE1 3.25Å; Y59-E63 WeakPolarHBondContact CE1-OE1 3.39Å; Y59-E63 PolarHBondContact O-N 3.26Å; Y59-E63 PolarHBondContact OH-OE1 3.39Å; V60-E63 PolarHBondContact O-N 3.46Å; E63-S65 PolarHBondContact O-N 2.93Å; E63-I66 PolarHBondContact O-N 3.33Å; E63-V92 HydrophobicContact CB-CG1 4.14Å; E63-V92 HydrophobicContact CB-CG2 4.16Å; E63-Q96 PolarHBondContact O-NE2 3.27Å
64	V	85.8	Confident	81.7	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.006	41%	0.411	C	S	.	.	H	α-helix	trans	-58.5	-30.3	174.5	169.2	0	0	0	0	111.8	V60 E61 A62 L81 V92 R95 Q96 Y99	V60-V64 VanDerWaalsContact O-CG2 3.27Å; V60-V64 WeakPolarHBondContact O-CG2 3.17Å; V60-V64 PolarHBondContact O-N 2.98Å; E61-V64 PolarHBondContact O-N 2.88Å; A62-V64 VanDerWaalsContact C-N 3.35Å; A62-V64 PolarHBondContact O-N 3.32Å; V64-L81 HydrophobicContact CG2-CD1 4.07Å; V64-V92 HydrophobicContact CG2-CB 4.38Å; V64-V92 HydrophobicContact CG2-CG1 4.44Å; V64-V92 HydrophobicContact CG2-CG2 4.18Å; V64-R95 HydrophobicContact CG1-CB 3.64Å; V64-R95 HydrophobicContact CG1-CG 4.46Å; V64-R95 HydrophobicContact CG2-CB 4.15Å; V64-Q96 WeakPolarHBondContact O-CG 3.19Å; V64-Y99 HydrophobicContact CG1-CD2 4.34Å; V64-Y99 HydrophobicContact CG1-CE2 3.89Å
65	S	80.8	Confident	80	Confident	13 Å²	13	76.8 Å²	76.8	9%	0.091	43%	0.427	C	S	.	.	H	α-helix	trans	-90.1	-11.9	-171.5	-56.4	0	0	0	0	114.2	E61 A62 E63 L72 F73 I78	E61-S65 PolarHBondContact O-N 2.94Å; E61-S65 PolarHBondContact O-OG 3.46Å; A62-S65 WeakPolarHBondContact O-CB 3.47Å; A62-S65 PolarHBondContact O-N 3.17Å; E63-S65 PolarHBondContact O-N 2.93Å; S65-L72 CarbonylContact O-C 3.48Å; S65-L72 WeakPolarHBondContact O-CA 3.21Å; S65-F73 PolarHBondContact O-N 3.24Å; S65-I78 WeakPolarHBondContact OG-CD1 3.3Å; S65-I78 WeakPolarHBondContact OG-CG1 3.36Å
66	I	81.9	Confident	78.4	Confident	69 Å²	69	77.5 Å²	77.5	35%	0.354	43%	0.427	S	S	.	.	B	Isolated β-bridge	trans	-104.5	128.5	-174.6	-65.7	165.7	0	0	0	109.6	A62 E63 T71 L72 Q96	A62-I66 WeakPolarHBondContact O-CD1 3.29Å; A62-I66 WeakPolarHBondContact O-CG1 3.34Å; A62-I66 PolarHBondContact O-N 3.45Å; E63-I66 PolarHBondContact O-N 3.33Å; I66-T71 CarbonylContact C-O 3.59Å; I66-T71 WeakPolarHBondContact CA-O 3.47Å; I66-L72 HydrophobicContact CG1-CD2 4.21Å; I66-Q96 PolarHBondContact O-NE2 3.08Å
67	N	73.8	Confident	76.6	Confident	38 Å²	38	81.4 Å²	81.4	20%	0.203	45%	0.445	C	S	.	.			trans	-70.4	165	171	-74.7	-44.7	0	0	0	111.4	D69 G70 T71 F73	N67-D69 WeakPolarHBondContact CB-OD1 3.25Å; N67-D69 PolarHBondContact O-N 3.02Å; N67-G70 PolarHBondContact O-N 3.17Å; N67-T71 WeakPolarHBondContact CB-O 3.34Å; N67-T71 PolarHBondContact N-O 3.49Å; N67-T71 PolarHBondContact ND2-OG1 3.09Å; N67-F73 WeakPolarHBondContact OD1-CE1 3.34Å; N67-F73 WeakPolarHBondContact OD1-CE2 3.49Å; N67-F73 WeakPolarHBondContact OD1-CZ 3.3Å
68	E	75.2	Confident	75	Confident	187 Å²	187	82.8 Å²	82.8	87%	0.874	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.8	176.3	-66.4	-178	178	0	0	113.6
69	D	78	Confident	74	Confident	118 Å²	118	82.3 Å²	82.3	63%	0.631	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	1.1	176.4	68	-1.6	0	0	0	113.9	N67 T71	N67-D69 WeakPolarHBondContact CB-OD1 3.25Å; N67-D69 PolarHBondContact O-N 3.02Å; D69-T71 VanDerWaalsContact C-N 3.35Å; D69-T71 WeakPolarHBondContact OD1-CB 3.47Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.38Å; D69-T71 PolarHBondContact OD1-N 3.23Å; D69-T71 PolarHBondContact OD1-OG1 2.97Å; D69-T71 PolarHBondContact OD2-OG1 2.93Å
70	G	74.6	Confident	73.3	Confident	56 Å²	56	80 Å²	80	58%	0.577	46%	0.456	S	S	*	.	S	Bend	trans	85.4	-0.7	-178.4	0	0	0	0	0	114.8	N67	N67-G70 PolarHBondContact O-N 3.17Å
71	T	76.1	Confident	72.9	Confident	67 Å²	67	79.2 Å²	79.2	41%	0.411	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-79.2	149.5	176.5	63.9	0	0	0	0	111.4	I66 N67 D69	I66-T71 CarbonylContact C-O 3.59Å; I66-T71 WeakPolarHBondContact CA-O 3.47Å; N67-T71 WeakPolarHBondContact CB-O 3.34Å; N67-T71 PolarHBondContact N-O 3.49Å; N67-T71 PolarHBondContact ND2-OG1 3.09Å; D69-T71 VanDerWaalsContact C-N 3.35Å; D69-T71 WeakPolarHBondContact OD1-CB 3.47Å; D69-T71 WeakPolarHBondContact OD1-CG2 3.38Å; D69-T71 PolarHBondContact OD1-N 3.23Å; D69-T71 PolarHBondContact OD1-OG1 2.97Å; D69-T71 PolarHBondContact OD2-OG1 2.93Å
72	L	71.5	Confident	72.9	Confident	123 Å²	123	80 Å²	80	64%	0.644	46%	0.46	S	S	*	.	B	Isolated β-bridge	trans	-74.4	145.6	172.4	-75.8	161	0	0	0	110.1	S65 I66 D74	S65-L72 CarbonylContact O-C 3.48Å; S65-L72 WeakPolarHBondContact O-CA 3.21Å; I66-L72 HydrophobicContact CG1-CD2 4.21Å; L72-D74 PolarHBondContact O-N 2.68Å
73	F	69.7	Low	73	Confident	40 Å²	40	82 Å²	82	18%	0.175	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-58.8	129	163.8	-83.9	-83.8	0	0	0	109.7	S65 N67 G75 Q96 R100	S65-F73 PolarHBondContact O-N 3.24Å; N67-F73 WeakPolarHBondContact OD1-CE1 3.34Å; N67-F73 WeakPolarHBondContact OD1-CE2 3.49Å; N67-F73 WeakPolarHBondContact OD1-CZ 3.3Å; F73-G75 PolarHBondContact O-N 3.36Å; F73-Q96 HydrophobicContact CE2-CB 4.3Å; F73-Q96 HydrophobicContact CE2-CG 3.98Å; F73-Q96 HydrophobicContact CZ-CB 4.36Å; F73-R100 HydrophobicContact CE1-CG 3.85Å; F73-R100 HydrophobicContact CZ-CG 4.01Å
74	D	61.9	Low	73	Confident	154 Å²	154	83.8 Å²	83.8	82%	0.824	48%	0.475	S	S	*	.	S	Bend	trans	-56.4	111.5	-175	-98.3	-24.1	0	0	0	112.5	L72 R76	L72-D74 PolarHBondContact O-N 2.68Å; D74-R76 PolarHBondContact O-N 3.4Å
75	G	55.3	Low	73	Confident	78 Å²	78	86.8 Å²	86.8	80%	0.804	49%	0.491	S	S	*	.	S	Bend	trans	75	16.7	137.9	0	0	0	0	0	119.1	F73	F73-G75 PolarHBondContact O-N 3.36Å
76	R	57	Low	73.4	Confident	151 Å²	151	86.9 Å²	86.9	57%	0.57	49%	0.492	S	S	*	.			trans	-122.9	144	169.4	-78.1	-168.8	-177	-173	5.1	113.8	D74 I78	D74-R76 PolarHBondContact O-N 3.4Å; R76-I78 PolarHBondContact O-N 3.22Å
77	P	53.6	Low	73.6	Confident	118 Å²	118	88.6 Å²	88.6	77%	0.766	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-57.5	135.1	173	-14.5	26.7	0	0	0	109.7	E79	P77-E79 PolarHBondContact O-N 2.7Å
78	I	56.5	Low	74.4	Confident	67 Å²	67	91.8 Å²	91.8	34%	0.344	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-63.7	126.8	171.6	-55.3	155.7	0	0	0	106.6	E61 S65 R76 S80	E61-I78 HydrophobicContact CB-CG2 4.47Å; E61-I78 HydrophobicContact CG-CG2 4.41Å; S65-I78 WeakPolarHBondContact OG-CD1 3.3Å; S65-I78 WeakPolarHBondContact OG-CG1 3.36Å; R76-I78 PolarHBondContact O-N 3.22Å; I78-S80 PolarHBondContact O-N 2.85Å
79	E	66.1	Low	74.9	Confident	113 Å²	113	87.9 Å²	87.9	53%	0.528	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-64.4	119.3	165.5	-75.4	172.4	-170	0	0	107	P77 L81 R95	P77-E79 PolarHBondContact O-N 2.7Å; E79-L81 PolarHBondContact O-N 3.25Å; E79-R95 IonicContact OE2-NH1 3.56Å
80	S	74.2	Confident	75.4	Confident	100 Å²	100	87.2 Å²	87.2	70%	0.699	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-50.2	127.1	-178.7	54.8	0	0	0	0	110.8	E61 I78	E61-S80 WeakPolarHBondContact OE1-CA 3.5Å; I78-S80 PolarHBondContact O-N 2.85Å
81	L	81	Confident	76	Confident	8 Å²	8	85.4 Å²	85.4	4%	0.042	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-76.1	135.7	176.2	-90.3	138.5	0	0	0	109.1	L57 V60 E61 V64 E79 D85 A86 V91	L57-L81 HydrophobicContact CD1-CB 3.82Å; V60-L81 HydrophobicContact CG1-CD1 4.36Å; E61-L81 HydrophobicContact CG-CB 4.2Å; E61-L81 HydrophobicContact CG-CD1 3.81Å; E61-L81 PolarHBondContact OE1-N 2.87Å; V64-L81 HydrophobicContact CG2-CD1 4.07Å; E79-L81 PolarHBondContact O-N 3.25Å; L81-D85 HydrophobicContact CD2-CB 3.63Å; L81-A86 HydrophobicContact CB-CB 4.43Å; L81-V91 HydrophobicContact CD2-CG2 3.65Å
82	S	86.8	Confident	76.4	Confident	53 Å²	53	83.6 Å²	83.6	37%	0.371	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-70	154.6	164.9	77.6	0	0	0	0	109.2	I84 D85 A86	S82-I84 PolarHBondContact O-N 3.24Å; S82-D85 WeakPolarHBondContact CB-OD2 3.27Å; S82-D85 PolarHBondContact O-N 2.97Å; S82-D85 WeakPolarHBondContact OG-CB 3.38Å; S82-D85 PolarHBondContact OG-N 3.44Å; S82-D85 VanDerWaalsContact OG-N 3.09Å; S82-D85 PolarHBondContact OG-OD2 3.29Å; S82-A86 WeakPolarHBondContact O-CB 3.5Å; S82-A86 PolarHBondContact O-N 3.02Å
83	L	86.2	Confident	77.1	Confident	86 Å²	86	83.8 Å²	83.8	45%	0.45	47%	0.472	S	S	.	.	H	α-helix	trans	-58.5	-34.5	177.3	-178.6	59.1	0	0	0	112.1	I53 V87	I53-L83 HydrophobicContact CG2-CD1 3.4Å; I53-L83 HydrophobicContact CG2-CD2 3.72Å; I53-L83 HydrophobicContact CG2-CG 4.21Å; L83-V87 PolarHBondContact O-N 3.37Å
84	I	87.8	Confident	78	Confident	119 Å²	119	86.1 Å²	86.1	61%	0.61	49%	0.49	S	S	*	.	H	α-helix	trans	-69	-45.4	177	-65.5	-58.4	0	0	0	111.1	S82 A86 V87 M88	S82-I84 PolarHBondContact O-N 3.24Å; I84-A86 VanDerWaalsContact C-N 3.28Å; I84-A86 PolarHBondContact O-N 3.45Å; I84-V87 WeakPolarHBondContact O-CG2 3.46Å; I84-V87 PolarHBondContact O-N 2.86Å; I84-M88 WeakPolarHBondContact O-CG 3.19Å; I84-M88 PolarHBondContact O-N 3.39Å
85	D	85.9	Confident	79.1	Confident	65 Å²	65	82 Å²	82	35%	0.348	46%	0.463	S	S	.	.	H	α-helix	trans	-62.3	-40	178.2	-64.7	-42.8	0	0	0	111.2	L81 S82 V87 M88 V91	L81-D85 HydrophobicContact CD2-CB 3.63Å; S82-D85 WeakPolarHBondContact CB-OD2 3.27Å; S82-D85 PolarHBondContact O-N 2.97Å; S82-D85 WeakPolarHBondContact OG-CB 3.38Å; S82-D85 PolarHBondContact OG-N 3.44Å; S82-D85 VanDerWaalsContact OG-N 3.09Å; S82-D85 PolarHBondContact OG-OD2 3.29Å; D85-V87 PolarHBondContact O-N 3.26Å; D85-M88 WeakPolarHBondContact O-CB 3.41Å; D85-M88 PolarHBondContact O-N 2.93Å; D85-M88 VanDerWaalsContact O-N 3.07Å; D85-V91 WeakPolarHBondContact O-CB 3.35Å; D85-V91 VanDerWaalsContact O-CG2 3.24Å; D85-V91 WeakPolarHBondContact O-CG2 3.47Å
86	A	87.3	Confident	80.6	Confident	14 Å²	14	79.2 Å²	79.2	12%	0.116	43%	0.429	C	S	.	.	H	α-helix	trans	-64.3	-21.8	-178.7	0	0	0	0	0	114.1	L57 V60 L81 S82 I84	L57-A86 HydrophobicContact CD1-CB 3.31Å; V60-A86 HydrophobicContact CG1-CB 4.3Å; L81-A86 HydrophobicContact CB-CB 4.43Å; S82-A86 WeakPolarHBondContact O-CB 3.5Å; S82-A86 PolarHBondContact O-N 3.02Å; I84-A86 VanDerWaalsContact C-N 3.28Å; I84-A86 PolarHBondContact O-N 3.45Å
87	V	88.1	Confident	81.9	Confident	105 Å²	105	76.2 Å²	76.2	64%	0.636	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-0.6	176.3	-58.8	0	0	0	0	113.3	L83 I84 D85	L83-V87 PolarHBondContact O-N 3.37Å; I84-V87 WeakPolarHBondContact O-CG2 3.46Å; I84-V87 PolarHBondContact O-N 2.86Å; D85-V87 PolarHBondContact O-N 3.26Å
88	M	89.1	Confident	83.4	Confident	106 Å²	106	73.1 Å²	73.1	52%	0.522	41%	0.406	S	S	.	.	S	Bend	trans	-68.7	141.2	175	-67.4	-61.4	-70.6	0	0	110.7	I84 D85 V91	I84-M88 WeakPolarHBondContact O-CG 3.19Å; I84-M88 PolarHBondContact O-N 3.39Å; D85-M88 WeakPolarHBondContact O-CB 3.41Å; D85-M88 PolarHBondContact O-N 2.93Å; D85-M88 VanDerWaalsContact O-N 3.07Å; M88-V91 WeakPolarHBondContact O-CB 3.41Å; M88-V91 PolarHBondContact O-N 3.12Å
89	P	86	Confident	84.6	Confident	104 Å²	104	72.3 Å²	72.3	68%	0.675	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	143	173.2	-24	33.2	0	0	0	111.6	V91	P89-V91 PolarHBondContact O-N 3.02Å
90	D	87.9	Confident	85.3	Confident	104 Å²	104	71 Å²	71	56%	0.556	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	20.8	175.6	-48.6	-39	0	0	0	114.7	V92 Q93 T94	D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 3.37Å; D90-Q93 HydrophobicContact CB-CB 4.5Å; D90-Q93 PolarHBondContact O-N 3.04Å; D90-T94 WeakPolarHBondContact O-CB 3.46Å; D90-T94 PolarHBondContact O-N 3.38Å; D90-T94 PolarHBondContact O-OG1 3.28Å
91	V	88.1	Confident	85.8	Confident	18 Å²	18	70 Å²	70	11%	0.109	38%	0.376	C	S	.	.	H	α-helix	trans	-56.4	-41.9	-179.6	65.1	0	0	0	0	111.5	V60 L81 D85 M88 P89 T94 R95	V60-V91 HydrophobicContact CG1-CG1 4.07Å; L81-V91 HydrophobicContact CD2-CG2 3.65Å; D85-V91 WeakPolarHBondContact O-CB 3.35Å; D85-V91 VanDerWaalsContact O-CG2 3.24Å; D85-V91 WeakPolarHBondContact O-CG2 3.47Å; M88-V91 WeakPolarHBondContact O-CB 3.41Å; M88-V91 PolarHBondContact O-N 3.12Å; P89-V91 PolarHBondContact O-N 3.02Å; V91-T94 PolarHBondContact O-N 2.9Å; V91-R95 HydrophobicContact CG2-CG 4.14Å; V91-R95 VanDerWaalsContact O-CB 3.29Å; V91-R95 WeakPolarHBondContact O-CB 3.29Å; V91-R95 VanDerWaalsContact O-CG 3.26Å; V91-R95 WeakPolarHBondContact O-CG 3.5Å; V91-R95 PolarHBondContact O-N 3.25Å
92	V	85.1	Confident	85.8	Confident	30 Å²	30	74.1 Å²	74.1	18%	0.182	39%	0.393	C	S	.	.	H	α-helix	trans	-60.1	-53.5	178	178.4	0	0	0	0	110.2	V60 E63 V64 D90 T94 R95 Q96	V60-V92 HydrophobicContact CG1-CG2 4.23Å; E63-V92 HydrophobicContact CB-CG1 4.14Å; E63-V92 HydrophobicContact CB-CG2 4.16Å; V64-V92 HydrophobicContact CG2-CB 4.38Å; V64-V92 HydrophobicContact CG2-CG1 4.44Å; V64-V92 HydrophobicContact CG2-CG2 4.18Å; D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 3.37Å; V92-T94 PolarHBondContact O-N 2.82Å; V92-R95 PolarHBondContact O-N 2.93Å; V92-Q96 HydrophobicContact CG1-CG 4.4Å; V92-Q96 WeakPolarHBondContact O-CB 3.22Å; V92-Q96 WeakPolarHBondContact O-CG 3.35Å; V92-Q96 PolarHBondContact O-N 3.22Å
93	Q	86.5	Confident	85.5	Confident	126 Å²	126	75.1 Å²	75.1	59%	0.589	39%	0.394	S	S	*	.	H	α-helix	trans	-63.6	-42.4	-179.6	-72	169.1	1.4	0	0	112.3	D90 Q96 Q97	D90-Q93 HydrophobicContact CB-CB 4.5Å; D90-Q93 PolarHBondContact O-N 3.04Å; Q93-Q96 PolarHBondContact O-N 3.42Å; Q93-Q97 WeakPolarHBondContact O-CB 3.45Å; Q93-Q97 PolarHBondContact O-N 3.41Å
94	T	87.2	Confident	85.3	Confident	90 Å²	90	73.5 Å²	73.5	55%	0.552	39%	0.393	S	S	*	.	H	α-helix	trans	-63.8	-45.5	179.8	-57.3	0	0	0	0	111.1	D90 V91 V92 Q97 A98	D90-T94 WeakPolarHBondContact O-CB 3.46Å; D90-T94 PolarHBondContact O-N 3.38Å; D90-T94 PolarHBondContact O-OG1 3.28Å; V91-T94 PolarHBondContact O-N 2.9Å; V92-T94 PolarHBondContact O-N 2.82Å; T94-Q97 PolarHBondContact O-N 3.06Å; T94-A98 WeakPolarHBondContact O-CB 3.25Å; T94-A98 PolarHBondContact O-N 3.14Å
95	R	85.7	Confident	84.9	Confident	66 Å²	66	74.3 Å²	74.3	25%	0.249	39%	0.394	C	S	.	.	H	α-helix	trans	-67.2	-45.5	177.3	-72.1	-72.5	-170.6	157.6	1.3	111.2	V64 E79 V91 V92 Q97 A98 Y99	V64-R95 HydrophobicContact CG1-CB 3.64Å; V64-R95 HydrophobicContact CG1-CG 4.46Å; V64-R95 HydrophobicContact CG2-CB 4.15Å; E79-R95 IonicContact OE2-NH1 3.56Å; V91-R95 HydrophobicContact CG2-CG 4.14Å; V91-R95 VanDerWaalsContact O-CB 3.29Å; V91-R95 WeakPolarHBondContact O-CB 3.29Å; V91-R95 VanDerWaalsContact O-CG 3.26Å; V91-R95 WeakPolarHBondContact O-CG 3.5Å; V91-R95 PolarHBondContact O-N 3.25Å; V92-R95 PolarHBondContact O-N 2.93Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 3.45Å; R95-A98 PolarHBondContact O-N 2.76Å; R95-Y99 WeakPolarHBondContact O-CD2 3.42Å; R95-Y99 PolarHBondContact O-N 2.89Å
96	Q	86	Confident	84.6	Confident	21 Å²	21	75 Å²	75	10%	0.098	40%	0.395	C	S	.	.	H	α-helix	trans	-58.4	-41.9	175.4	-74.2	-179.8	-4.2	0	0	112	E63 V64 I66 F73 V92 Q93 Y99 R100	E63-Q96 PolarHBondContact O-NE2 3.27Å; V64-Q96 WeakPolarHBondContact O-CG 3.19Å; I66-Q96 PolarHBondContact O-NE2 3.08Å; F73-Q96 HydrophobicContact CE2-CB 4.3Å; F73-Q96 HydrophobicContact CE2-CG 3.98Å; F73-Q96 HydrophobicContact CZ-CB 4.36Å; V92-Q96 HydrophobicContact CG1-CG 4.4Å; V92-Q96 WeakPolarHBondContact O-CB 3.22Å; V92-Q96 WeakPolarHBondContact O-CG 3.35Å; V92-Q96 PolarHBondContact O-N 3.22Å; Q93-Q96 PolarHBondContact O-N 3.42Å; Q96-Y99 WeakPolarHBondContact O-CB 3.13Å; Q96-Y99 PolarHBondContact O-N 3.05Å; Q96-R100 WeakPolarHBondContact O-CG 3.38Å; Q96-R100 PolarHBondContact O-N 3.01Å
97	Q	85.8	Confident	84.3	Confident	88 Å²	88	80.3 Å²	80.3	41%	0.411	42%	0.418	S	S	.	.	H	α-helix	trans	-64.8	-44.8	175.7	-173.2	59.7	33.6	0	0	111.6	Q93 T94 R95 Y99 R100 D101	Q93-Q97 WeakPolarHBondContact O-CB 3.45Å; Q93-Q97 PolarHBondContact O-N 3.41Å; T94-Q97 PolarHBondContact O-N 3.06Å; R95-Q97 VanDerWaalsContact C-N 3.31Å; R95-Q97 PolarHBondContact O-N 3.45Å; Q97-Y99 VanDerWaalsContact C-N 3.25Å; Q97-Y99 PolarHBondContact O-N 3.17Å; Q97-R100 PolarHBondContact O-N 3.31Å; Q97-R100 VanDerWaalsContact O-N 3.11Å; Q97-D101 PolarHBondContact NE2-OD1 3.28Å; Q97-D101 VanDerWaalsContact O-CG 3.3Å; Q97-D101 PolarHBondContact O-N 3.35Å
98	A	84.7	Confident	84	Confident	52 Å²	52	78.2 Å²	78.2	43%	0.43	41%	0.412	S	S	.	.	H	α-helix	trans	-59.3	-36.9	175.4	0	0	0	0	0	112.1	T94 R95 K102	T94-A98 WeakPolarHBondContact O-CB 3.25Å; T94-A98 PolarHBondContact O-N 3.14Å; R95-A98 PolarHBondContact O-N 2.76Å; A98-K102 VanDerWaalsContact O-CB 3.29Å; A98-K102 WeakPolarHBondContact O-CB 3.43Å; A98-K102 PolarHBondContact O-N 3.14Å
99	Y	80.2	Confident	83.5	Confident	51 Å²	51	76.1 Å²	76.1	20%	0.2	41%	0.411	C	S	.	.	H	α-helix	trans	-63.6	-47.2	172.6	-84.4	-68.9	0	0	0	112.1	V64 R95 Q96 Q97 D101 K102 L103	V64-Y99 HydrophobicContact CG1-CD2 4.34Å; V64-Y99 HydrophobicContact CG1-CE2 3.89Å; R95-Y99 WeakPolarHBondContact O-CD2 3.42Å; R95-Y99 PolarHBondContact O-N 2.89Å; Q96-Y99 WeakPolarHBondContact O-CB 3.13Å; Q96-Y99 PolarHBondContact O-N 3.05Å; Q97-Y99 VanDerWaalsContact C-N 3.25Å; Q97-Y99 PolarHBondContact O-N 3.17Å; Y99-D101 VanDerWaalsContact C-N 3.34Å; Y99-D101 PolarHBondContact O-N 3.48Å; Y99-K102 PolarHBondContact O-N 3.29Å; Y99-L103 WeakPolarHBondContact O-CB 3.3Å; Y99-L103 PolarHBondContact O-N 3.11Å
100	R	81.9	Confident	83.2	Confident	86 Å²	86	74.1 Å²	74.1	33%	0.325	40%	0.403	S	S	.	.	H	α-helix	trans	-60	-43.7	176.8	-69.4	176.6	-169.4	133.7	3	111.8	F73 Q96 Q97 L103 A104	F73-R100 HydrophobicContact CE1-CG 3.85Å; F73-R100 HydrophobicContact CZ-CG 4.01Å; Q96-R100 WeakPolarHBondContact O-CG 3.38Å; Q96-R100 PolarHBondContact O-N 3.01Å; Q97-R100 PolarHBondContact O-N 3.31Å; Q97-R100 VanDerWaalsContact O-N 3.11Å; R100-L103 PolarHBondContact O-N 2.93Å; R100-A104 WeakPolarHBondContact O-CB 3.25Å; R100-A104 PolarHBondContact O-N 3.48Å
101	D	84.6	Confident	82.8	Confident	78 Å²	78	72.1 Å²	72.1	42%	0.417	40%	0.401	S	S	.	.	H	α-helix	trans	-64.7	-41.9	178.6	-67.3	-15.2	0	0	0	111.5	Q97 Y99 A104 Q105	Q97-D101 PolarHBondContact NE2-OD1 3.28Å; Q97-D101 VanDerWaalsContact O-CG 3.3Å; Q97-D101 PolarHBondContact O-N 3.35Å; Y99-D101 VanDerWaalsContact C-N 3.34Å; Y99-D101 PolarHBondContact O-N 3.48Å; D101-A104 PolarHBondContact O-N 2.77Å; D101-Q105 WeakPolarHBondContact O-CG 3.25Å; D101-Q105 PolarHBondContact O-N 3.1Å
102	K	81.3	Confident	82.3	Confident	94 Å²	94	74.1 Å²	74.1	41%	0.409	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-37	177.5	-157.7	174.8	-169.7	173.8	0	111.7	A98 Y99 Q106	A98-K102 VanDerWaalsContact O-CB 3.29Å; A98-K102 WeakPolarHBondContact O-CB 3.43Å; A98-K102 PolarHBondContact O-N 3.14Å; Y99-K102 PolarHBondContact O-N 3.29Å; K102-Q106 WeakPolarHBondContact O-CG 3.29Å; K102-Q106 PolarHBondContact O-N 3.28Å
103	L	79.4	Confident	81.9	Confident	75 Å²	75	75.6 Å²	75.6	39%	0.393	44%	0.435	S	S	.	.	H	α-helix	trans	-66.9	-45	174.4	-164.1	80.1	0	0	0	111	Y99 R100 Q105 Q106 Q107	Y99-L103 WeakPolarHBondContact O-CB 3.3Å; Y99-L103 PolarHBondContact O-N 3.11Å; R100-L103 PolarHBondContact O-N 2.93Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 3.18Å; L103-Q106 PolarHBondContact O-N 3.45Å; L103-Q107 WeakPolarHBondContact O-CG 3.34Å; L103-Q107 PolarHBondContact O-N 2.76Å
104	A	81.8	Confident	81.4	Confident	52 Å²	52	72.6 Å²	72.6	43%	0.43	43%	0.432	S	S	.	.	H	α-helix	trans	-61.2	-40.1	176.1	0	0	0	0	0	111.8	R100 D101 Q107 A108	R100-A104 WeakPolarHBondContact O-CB 3.25Å; R100-A104 PolarHBondContact O-N 3.48Å; D101-A104 PolarHBondContact O-N 2.77Å; A104-Q107 PolarHBondContact O-N 3Å; A104-A108 VanDerWaalsContact O-CB 3.31Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 2.57Å
105	Q	80.5	Confident	80.9	Confident	136 Å²	136	71.2 Å²	71.2	64%	0.636	43%	0.429	S	S	*	.	H	α-helix	trans	-64.2	-41	173.7	-76.1	176.6	5.5	0	0	112.5	D101 L103 A108 A109	D101-Q105 WeakPolarHBondContact O-CG 3.25Å; D101-Q105 PolarHBondContact O-N 3.1Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 3.18Å; Q105-A108 PolarHBondContact O-N 3.23Å; Q105-A109 VanDerWaalsContact O-CB 3.32Å; Q105-A109 WeakPolarHBondContact O-CB 3.41Å; Q105-A109 PolarHBondContact O-N 3.12Å
106	Q	79.5	Confident	80.2	Confident	79 Å²	79	70.5 Å²	70.5	37%	0.369	44%	0.438	S	S	.	.	H	α-helix	trans	-67.2	-41	176.7	-76	176.6	23.4	0	0	112	K102 L103 A109 A110	K102-Q106 WeakPolarHBondContact O-CG 3.29Å; K102-Q106 PolarHBondContact O-N 3.28Å; L103-Q106 PolarHBondContact O-N 3.45Å; Q106-A109 PolarHBondContact O-N 3.33Å; Q106-A110 VanDerWaalsContact O-CB 3.32Å; Q106-A110 WeakPolarHBondContact O-CB 3.43Å; Q106-A110 PolarHBondContact O-N 3.14Å
107	Q	81	Confident	79.4	Confident	126 Å²	126	72 Å²	72	59%	0.589	45%	0.454	S	S	*	.	H	α-helix	trans	-64.3	-41.7	174.6	-72.2	175.9	-10.1	0	0	111.5	L103 A104 A110 A111	L103-Q107 WeakPolarHBondContact O-CG 3.34Å; L103-Q107 PolarHBondContact O-N 2.76Å; A104-Q107 PolarHBondContact O-N 3Å; Q107-A110 PolarHBondContact O-N 2.84Å; Q107-A111 WeakPolarHBondContact O-CB 3.43Å; Q107-A111 PolarHBondContact O-N 3.32Å
108	A	81	Confident	78.4	Confident	61 Å²	61	71.2 Å²	71.2	50%	0.504	46%	0.462	S	S	.	.	H	α-helix	trans	-64.3	-41.5	174.9	0	0	0	0	0	112.2	A104 Q105 A111 A112	A104-A108 VanDerWaalsContact O-CB 3.31Å; A104-A108 WeakPolarHBondContact O-CB 3.48Å; A104-A108 PolarHBondContact O-N 2.57Å; Q105-A108 PolarHBondContact O-N 3.23Å; A108-A111 PolarHBondContact O-N 2.91Å; A108-A112 WeakPolarHBondContact O-CB 3.32Å; A108-A112 PolarHBondContact O-N 2.93Å
109	A	79.2	Confident	77.3	Confident	61 Å²	61	73.2 Å²	73.2	50%	0.504	47%	0.473	S	S	.	.	H	α-helix	trans	-65.9	-40.9	175.8	0	0	0	0	0	112.1	Q105 Q106 A112 A113	Q105-A109 VanDerWaalsContact O-CB 3.32Å; Q105-A109 WeakPolarHBondContact O-CB 3.41Å; Q105-A109 PolarHBondContact O-N 3.12Å; Q106-A109 PolarHBondContact O-N 3.33Å; A109-A112 PolarHBondContact O-N 3.35Å; A109-A113 WeakPolarHBondContact O-CB 3.43Å; A109-A113 PolarHBondContact O-N 3.33Å
110	A	79.1	Confident	76.1	Confident	62 Å²	62	78.6 Å²	78.6	51%	0.512	50%	0.5	S	S	.	.	H	α-helix	trans	-65.5	-41.8	175.3	0	0	0	0	0	111.8	Q106 Q107 A113 A114	Q106-A110 VanDerWaalsContact O-CB 3.32Å; Q106-A110 WeakPolarHBondContact O-CB 3.43Å; Q106-A110 PolarHBondContact O-N 3.14Å; Q107-A110 PolarHBondContact O-N 2.84Å; A110-A113 PolarHBondContact O-N 3.16Å; A110-A114 WeakPolarHBondContact O-CB 3.24Å; A110-A114 PolarHBondContact O-N 3.3Å
111	A	80	Confident	74.6	Confident	62 Å²	62	82.8 Å²	82.8	51%	0.512	52%	0.523	S	S	.	.	H	α-helix	trans	-63.9	-40.6	174.6	0	0	0	0	0	111.9	Q107 A108 A114 A115	Q107-A111 WeakPolarHBondContact O-CB 3.43Å; Q107-A111 PolarHBondContact O-N 3.32Å; A108-A111 PolarHBondContact O-N 2.91Å; A111-A114 PolarHBondContact O-N 3.2Å; A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 3.05Å
112	A	78.5	Confident	72.7	Confident	60 Å²	60	82.7 Å²	82.7	50%	0.496	54%	0.541	S	S	.	.	H	α-helix	trans	-65.4	-40.9	174.7	0	0	0	0	0	112.2	A108 A109 A115 A116	A108-A112 WeakPolarHBondContact O-CB 3.32Å; A108-A112 PolarHBondContact O-N 2.93Å; A109-A112 PolarHBondContact O-N 3.35Å; A112-A115 PolarHBondContact O-N 2.77Å; A112-A116 WeakPolarHBondContact O-CB 3.34Å; A112-A116 PolarHBondContact O-N 2.84Å
113	A	76.5	Confident	70.8	Confident	62 Å²	62	83 Å²	83	51%	0.512	56%	0.555	S	S	.	*	H	α-helix	trans	-65	-41.2	175.2	0	0	0	0	0	112	A109 A110 A116 A117	A109-A113 WeakPolarHBondContact O-CB 3.43Å; A109-A113 PolarHBondContact O-N 3.33Å; A110-A113 PolarHBondContact O-N 3.16Å; A113-A116 PolarHBondContact O-N 3.43Å; A113-A117 WeakPolarHBondContact O-CB 3.31Å; A113-A117 PolarHBondContact O-N 3.34Å
114	A	76.6	Confident	68.8	Low	63 Å²	63	84 Å²	84	52%	0.521	57%	0.574	S	S	.	*	H	α-helix	trans	-64.8	-40.7	174.9	0	0	0	0	0	112	A110 A111 A117 A118	A110-A114 WeakPolarHBondContact O-CB 3.24Å; A110-A114 PolarHBondContact O-N 3.3Å; A111-A114 PolarHBondContact O-N 3.2Å; A114-A117 PolarHBondContact O-N 2.96Å; A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 2.8Å
115	A	75.7	Confident	66.9	Low	60 Å²	60	90.5 Å²	90.5	50%	0.496	59%	0.593	S	S	.	*	H	α-helix	trans	-65.3	-39.5	174.8	0	0	0	0	0	112.1	A111 A112 A118 S119	A111-A115 WeakPolarHBondContact O-CB 3.42Å; A111-A115 PolarHBondContact O-N 3.05Å; A112-A115 PolarHBondContact O-N 2.77Å; A115-A118 PolarHBondContact O-N 3.44Å; A115-S119 PolarHBondContact O-N 3.12Å; A115-S119 VanDerWaalsContact O-N 3.07Å
116	A	71.8	Confident	64.8	Low	52 Å²	52	91.6 Å²	91.6	43%	0.43	60%	0.603	S	S	.	*	H	α-helix	trans	-63.8	-43.1	174.5	0	0	0	0	0	111.6	A112 A113 A118 S119 Q120	A112-A116 WeakPolarHBondContact O-CB 3.34Å; A112-A116 PolarHBondContact O-N 2.84Å; A113-A116 PolarHBondContact O-N 3.43Å; A116-A118 PolarHBondContact O-N 3.36Å; A116-S119 PolarHBondContact O-N 2.88Å; A116-S119 PolarHBondContact O-OG 3.46Å; A116-Q120 PolarHBondContact O-N 3.47Å
117	A	68.1	Low	62.8	Low	53 Å²	53	91.7 Å²	91.7	44%	0.438	63%	0.625	S	S	.	*	H	α-helix	trans	-63.2	-40.1	175.7	0	0	0	0	0	112.4	A113 A114 S119 Q120 Q121	A113-A117 WeakPolarHBondContact O-CB 3.31Å; A113-A117 PolarHBondContact O-N 3.34Å; A114-A117 PolarHBondContact O-N 2.96Å; A117-S119 VanDerWaalsContact C-N 3.3Å; A117-S119 PolarHBondContact O-N 2.83Å; A117-Q120 PolarHBondContact O-N 2.84Å; A117-Q121 PolarHBondContact O-N 3.25Å
118	A	64.8	Low	60.7	Low	71 Å²	71	94.7 Å²	94.7	59%	0.587	64%	0.639	S	S	*	*	H	α-helix	trans	-65.6	-31.6	175.7	0	0	0	0	0	112.7	A114 A115 A116	A114-A118 WeakPolarHBondContact O-CB 3.28Å; A114-A118 PolarHBondContact O-N 2.8Å; A115-A118 PolarHBondContact O-N 3.44Å; A116-A118 PolarHBondContact O-N 3.36Å
119	S	61.1	Low	58.7	Low	94 Å²	94	99.7 Å²	99.7	66%	0.657	66%	0.657	S	S	*	*	H	α-helix	trans	-75.7	-21.1	177.3	72.1	0	0	0	0	114.2	A115 A116 A117	A115-S119 PolarHBondContact O-N 3.12Å; A115-S119 VanDerWaalsContact O-N 3.07Å; A116-S119 PolarHBondContact O-N 2.88Å; A116-S119 PolarHBondContact O-OG 3.46Å; A117-S119 VanDerWaalsContact C-N 3.3Å; A117-S119 PolarHBondContact O-N 2.83Å
120	Q	56	Low	56.8	Low	163 Å²	163	103.1 Å²	103.1	76%	0.762	67%	0.672	S	S	*	*	H	α-helix	trans	-91.5	-10.1	178.7	-77.8	-173.3	-7.3	0	0	114.4	A116 A117 G122	A116-Q120 PolarHBondContact O-N 3.47Å; A117-Q120 PolarHBondContact O-N 2.84Å; Q120-G122 PolarHBondContact O-N 3.47Å; Q120-G122 VanDerWaalsContact O-N 3.11Å
121	Q	50	Low	55	Low	174 Å²	174	103.8 Å²	103.8	81%	0.813	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	20.2	179.6	-80.8	-178	-14.1	0	0	115	A117	A117-Q121 PolarHBondContact O-N 3.25Å
122	G	44.2	Very low	53.1	Low	77 Å²	77	108.9 Å²	108.9	79%	0.794	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-0.4	176.4	0	0	0	0	0	116.5	Q120	Q120-G122 PolarHBondContact O-N 3.47Å; Q120-G122 VanDerWaalsContact O-N 3.11Å
123	S	41.8	Very low	51.1	Low	101 Å²	101	109.8 Å²	109.8	71%	0.706	71%	0.711	S	S	*	*	S	Bend	trans	-141.5	126.3	180	65.6	0	0	0	0	114.5
124	A	38.2	Very low	49.1	Very low	95 Å²	95	116 Å²	116	79%	0.785	73%	0.73	S	S	*	*			trans	56.4	99.4	159.3	0	0	0	0	0	117.9
125	K	40.4	Very low	47.1	Very low	189 Å²	189	122.4 Å²	122.4	82%	0.822	75%	0.749	S	S	*	*				66.5	113.9	91.2	-87.4	-169.6	176	-180	0	116.3
126	N	36.9	Very low	45.3	Very low	159 Å²	159	127.8 Å²	127.8	85%	0.85	77%	0.769	S	S	*	*			trans	81.7	119.9	144.6	-64.2	4	0	0	0	119.1
127	G	37.9	Very low	43.5	Very low	81 Å²	81	128.9 Å²	128.9	84%	0.835	79%	0.786	S	S	*	*			trans	160.5	77.1	162	0	0	0	0	0	112.6
128	E	36.3	Very low	42	Very low	189 Å²	189	130.9 Å²	130.9	88%	0.883	80%	0.802	S	S	*	*			trans	-63.1	133.3	168.9	-69.9	170.4	142.1	0	0	110.7
129	N	38.8	Very low	40.5	Very low	166 Å²	166	136.5 Å²	136.5	89%	0.888	82%	0.816	S	S	*	*			trans	-161.3	131	139.2	-103.8	-16.9	0	0	0	111
130	T	40.8	Very low	39.2	Very low	133 Å²	133	138.2 Å²	138.2	82%	0.816	82%	0.823	S	S	*	*			trans	-91.2	156.6	-170.3	40.2	0	0	0	0	113.4
131	A	40.9	Very low	38.2	Very low	76 Å²	76	138 Å²	138	63%	0.628	83%	0.825	S	S	*	*			trans	95.1	108	138	0	0	0	0	0	120.2
132	N	39.9	Very low	37.4	Very low	168 Å²	168	133.7 Å²	133.7	90%	0.898	82%	0.82	S	S	*	*				84.4	131.2	122.3	-59.4	-5	0	0	0	120.3
133	G	35.8	Very low	36.8	Very low	79 Å²	79	137 Å²	137	81%	0.814	82%	0.819	S	S	*	*			trans	151.2	80.9	156.3	0	0	0	0	0	114
134	E	34.7	Very low	36.4	Very low	193 Å²	193	139.1 Å²	139.1	90%	0.902	82%	0.823	S	S	*	*			trans	-64.8	147.3	165.7	-64.4	166.2	146.6	0	0	111
135	E	36	Very low	36.2	Very low	198 Å²	198	142.8 Å²	142.8	93%	0.925	82%	0.823	S	S	*	*			trans	-169.6	119.4	130.3	-108.5	176.8	-172.7	0	0	111.6
136	N	37.1	Very low	35.8	Very low	172 Å²	172	140.3 Å²	140.3	92%	0.92	82%	0.824	S	S	*	*			trans	-81.4	128.1	168.4	-80.8	-36.8	0	0	0	109.4
137	G	34.6	Very low	35.6	Very low	75 Å²	75	139.8 Å²	139.8	77%	0.773	82%	0.821	S	S	*	*			trans	-115.9	92.7	168.3	0	0	0	0	0	110.8
138	A	35	Very low	35.6	Very low	96 Å²	96	144.7 Å²	144.7	79%	0.793	83%	0.825	S	S	*	*			trans	-78.3	119.7	168.7	0	0	0	0	0	109.6	T140	A138-T140 PolarHBondContact O-N 3.42Å
139	H	33.8	Very low	36.2	Very low	189 Å²	189	139.8 Å²	139.8	88%	0.875	80%	0.803	S	S	*	*			trans	-89.5	101.4	170	-92.3	-74.2	0	0	0	110.1
140	T	33.6	Very low	36.1	Very low	129 Å²	129	140.8 Å²	140.8	79%	0.791	80%	0.802	S	S	*	*			trans	-73.1	117.6	161.5	42.1	0	0	0	0	109.7	A138 A142	A138-T140 PolarHBondContact O-N 3.42Å; T140-A142 PolarHBondContact O-N 2.58Å
141	I	35.2	Very low	36.7	Very low	158 Å²	158	136.9 Å²	136.9	81%	0.81	78%	0.778	S	S	*	*			trans	-85.5	105.6	165.6	-62.6	176.9	0	0	0	106.9
142	A	34.4	Very low	37.3	Very low	85 Å²	85	138.4 Å²	138.4	70%	0.702	78%	0.776	S	S	*	*			trans	-81.2	117.2	171	0	0	0	0	0	109.4	T140 N144	T140-A142 PolarHBondContact O-N 2.58Å; A142-N144 PolarHBondContact O-N 3.31Å
143	N	31.1	Very low	38.4	Very low	145 Å²	145	133.4 Å²	133.4	78%	0.775	76%	0.764	S	S	*	*			trans	-65.4	104.5	163.6	-85.7	-20.8	0	0	0	109.4
144	N	32.8	Very low	40.5	Very low	147 Å²	147	137 Å²	137	79%	0.786	76%	0.764	S	S	*	*			trans	-111.2	90.7	157.8	-88.8	-1.7	0	0	0	108.1	A142	A142-N144 PolarHBondContact O-N 3.31Å
145	H	35.2	Very low	43.3	Very low	172 Å²	172	128.9 Å²	128.9	80%	0.796	73%	0.728	S	S	*	*			trans	-82.4	143.5	156	-100.8	-79.8	0	0	0	107.9
146	T	31.9	Very low	46.1	Very low	137 Å²	137	122.4 Å²	122.4	84%	0.84	70%	0.697	S	S	*	*			trans	87.9	63.9	-179.2	73.2	0	0	0	0	116.6
147	D	32.7	Very low	48.8	Very low	148 Å²	148	114.5 Å²	114.5	79%	0.791	66%	0.655	S	S	*	*			trans	-112	123.5	144.8	-86.2	-39.9	0	0	0	108.8	M149	D147-M149 PolarHBondContact O-N 2.91Å
148	M	37.5	Very low	51.7	Low	184 Å²	184	113.5 Å²	113.5	91%	0.906	64%	0.635	S	S	*	*			trans	-56.1	120.6	169.4	-65.4	176.5	67	0	0	107.4	E150	M148-E150 PolarHBondContact O-N 2.94Å
149	M	47.5	Very low	54.5	Low	86 Å²	86	114.6 Å²	114.6	42%	0.424	63%	0.634	S	S	.	*			trans	-58.2	107.7	177.3	-72.9	176.8	130.7	0	0	109.7	D147 V151 K440 Q442	D147-M149 PolarHBondContact O-N 2.91Å; M149-V151 VanDerWaalsContact C-N 3.31Å; M149-V151 PolarHBondContact O-N 3.16Å; M149-K440 HydrophobicContact CE-CD 4.48Å; M149-Q442 HydrophobicContact CE-CG 3.59Å; M149-Q442 VanDerWaalsContact SD-CD 3.51Å; M149-Q442 HydrophobicContact SD-CG 4.22Å; M149-Q442 PolarHBondContact SD-NE2 2.97Å; M149-Q442 VanDerWaalsContact SD-NE2 3.39Å
150	E	38.1	Very low	57.3	Low	186 Å²	186	112 Å²	112	87%	0.869	63%	0.627	S	S	*	*			trans	-61.5	100	156.7	-75.3	-174.2	156.2	0	0	106.7	M148	M148-E150 PolarHBondContact O-N 2.94Å
151	V	51.9	Low	60.3	Low	51 Å²	51	108 Å²	108	31%	0.309	60%	0.598	S	S	.	*			trans	-72.4	122.1	160	-176.9	0	0	0	0	105.1	M149 G153 V155 E156	M149-V151 VanDerWaalsContact C-N 3.31Å; M149-V151 PolarHBondContact O-N 3.16Å; V151-G153 PolarHBondContact O-N 2.96Å; V151-G153 VanDerWaalsContact O-N 3.12Å; V151-V155 HydrophobicContact CG1-CG2 3.81Å; V151-E156 HydrophobicContact CG1-CB 4.12Å
152	D	53.6	Low	63.1	Low	109 Å²	109	101.2 Å²	101.2	58%	0.583	57%	0.566	S	S	*	*			trans	-53.3	120.8	174.7	-163	-11.1	0	0	0	108.3	D154 V155	D152-D154 PolarHBondContact O-N 3.42Å; D152-V155 HydrophobicContact CB-CG2 4.42Å; D152-V155 VanDerWaalsContact O-CG2 3.29Å; D152-V155 WeakPolarHBondContact O-CG2 3.47Å; D152-V155 PolarHBondContact O-N 3.11Å
153	G	63.5	Low	66	Low	63 Å²	63	100.5 Å²	100.5	65%	0.649	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-17.8	-170.3	0	0	0	0	0	113.3	V151	V151-G153 PolarHBondContact O-N 2.96Å; V151-G153 VanDerWaalsContact O-N 3.12Å
154	D	80.5	Confident	69.1	Low	154 Å²	154	96.2 Å²	96.2	82%	0.824	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.4	179.5	-72.8	-13	0	0	0	114.1	D152	D152-D154 PolarHBondContact O-N 3.42Å
155	V	92.7	Very high	72.1	Confident	22 Å²	22	89.5 Å²	89.5	13%	0.133	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-20.4	179.4	-60.2	0	0	0	0	114.3	V151 D152 I157 L476 H478 S479	V151-V155 HydrophobicContact CG1-CG2 3.81Å; D152-V155 HydrophobicContact CB-CG2 4.42Å; D152-V155 VanDerWaalsContact O-CG2 3.29Å; D152-V155 WeakPolarHBondContact O-CG2 3.47Å; D152-V155 PolarHBondContact O-N 3.11Å; V155-I157 PolarHBondContact O-N 2.8Å; V155-L476 HydrophobicContact CG2-CD2 4.12Å; V155-H478 CarbonylContact O-C 3.56Å; V155-H478 WeakPolarHBondContact O-CA 3.26Å; V155-S479 PolarHBondContact O-N 2.99Å
156	E	94.6	Very high	74.9	Confident	62 Å²	62	88.2 Å²	88.2	29%	0.29	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-69.8	130.3	-176.4	-169.8	67.3	-172.7	0	0	111.2	V151 P158 S479 Y480 R481	V151-E156 HydrophobicContact CG1-CB 4.12Å; E156-P158 WeakPolarHBondContact O-CD 3.11Å; E156-S479 CarbonylContact C-O 3.56Å; E156-S479 WeakPolarHBondContact CA-O 3.36Å; E156-S479 VanDerWaalsContact OE2-C 3.3Å; E156-S479 VanDerWaalsContact OE2-CB 3.25Å; E156-S479 WeakPolarHBondContact OE2-CB 3.28Å; E156-S479 PolarHBondContact OE2-OG 2.9Å; E156-Y480 WeakPolarHBondContact OE1-CA 3.27Å; E156-R481 PolarHBondContact OE1-N 3.24Å; E156-R481 VanDerWaalsContact OE1-N 3.12Å
157	I	95.5	Very high	77.7	Confident	7 Å²	7	82.6 Å²	82.6	4%	0.036	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-70.2	118.6	176	-63.4	177.3	0	0	0	107.5	V155 K161 A162 H478 S479 L510 L512	V155-I157 PolarHBondContact O-N 2.8Å; I157-K161 HydrophobicContact CG2-CB 3.76Å; I157-A162 HydrophobicContact CG2-CB 4.49Å; I157-H478 HydrophobicContact CD1-CB 4.02Å; I157-H478 HydrophobicContact CG1-CB 3.94Å; I157-S479 WeakPolarHBondContact CG1-O 3.42Å; I157-S479 PolarHBondContact N-O 2.91Å; I157-L510 HydrophobicContact CD1-CB 3.87Å; I157-L510 HydrophobicContact CD1-CD1 4.04Å; I157-L510 HydrophobicContact CD1-CD2 4.46Å; I157-L510 HydrophobicContact CD1-CG 4.34Å; I157-L512 HydrophobicContact CD1-CD2 3.44Å; I157-L512 VanDerWaalsContact CD1-CD2 3.44Å; I157-L512 HydrophobicContact CG1-CD2 4.37Å
158	P	94.9	Very high	80.7	Confident	53 Å²	53	76.2 Å²	76.2	34%	0.344	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-68.7	151.9	-174.9	30.3	-37	0	0	0	110.6	E156 N160 K161	E156-P158 WeakPolarHBondContact O-CD 3.11Å; P158-N160 VanDerWaalsContact CB-OD1 3.27Å; P158-N160 WeakPolarHBondContact CB-OD1 3.39Å; P158-N160 WeakPolarHBondContact CG-OD1 3.26Å; P158-N160 PolarHBondContact O-N 3.25Å; P158-K161 HydrophobicContact CG-CB 4.23Å; P158-K161 HydrophobicContact CG-CD 4.06Å; P158-K161 HydrophobicContact CG-CG 4.15Å; P158-K161 PolarHBondContact O-N 2.88Å
159	P	93.5	Very high	83.2	Confident	120 Å²	120	75.2 Å²	75.2	78%	0.779	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-54.7	-28.9	-175.1	-29.4	35.5	0	0	0	115.3	K161 A162	P159-K161 PolarHBondContact O-N 3.43Å; P159-A162 PolarHBondContact O-N 2.98Å
160	N	93.4	Very high	85.2	Confident	135 Å²	135	73.1 Å²	73.1	72%	0.722	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-72.3	-11.5	177.1	67.6	-52.8	0	0	0	114	P158	P158-N160 VanDerWaalsContact CB-OD1 3.27Å; P158-N160 WeakPolarHBondContact CB-OD1 3.39Å; P158-N160 WeakPolarHBondContact CG-OD1 3.26Å; P158-N160 PolarHBondContact O-N 3.25Å
161	K	95.1	Very high	87.7	Confident	43 Å²	43	66.8 Å²	66.8	19%	0.187	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-107.3	4.4	174	-71	-173.4	179.2	171.2	0	112.8	I157 P158 P159 D511 R513 K514	I157-K161 HydrophobicContact CG2-CB 3.76Å; P158-K161 HydrophobicContact CG-CB 4.23Å; P158-K161 HydrophobicContact CG-CD 4.06Å; P158-K161 HydrophobicContact CG-CG 4.15Å; P158-K161 PolarHBondContact O-N 2.88Å; P159-K161 PolarHBondContact O-N 3.43Å; K161-D511 HydrophobicContact CB-CB 4.13Å; K161-D511 HydrophobicContact CG-CB 4.41Å; K161-D511 PolarHBondContact O-N 2.96Å; K161-R513 WeakPolarHBondContact CE-O 3.24Å; K161-R513 PolarHBondContact NZ-O 3.27Å; K161-K514 VanDerWaalsContact NZ-C 3.27Å; K161-K514 PolarHBondContact NZ-OXT 3.45Å
162	A	95.7	Very high	89.8	Confident	16 Å²	16	64.3 Å²	64.3	13%	0.132	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	105	176.4	0	0	0	0	0	110.1	I157 P159 Y480 L510	I157-A162 HydrophobicContact CG2-CB 4.49Å; P159-A162 PolarHBondContact O-N 2.98Å; A162-Y480 HydrophobicContact CB-CD2 3.86Å; A162-Y480 HydrophobicContact CB-CE2 3.47Å; A162-Y480 VanDerWaalsContact CB-CE2 3.47Å; A162-L510 HydrophobicContact CB-CD2 3.97Å
163	V	95.1	Very high	91.7	Very high	71 Å²	71	61.6 Å²	61.6	43%	0.43	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116	175.4	-179.5	0	0	0	0	108.8	L165 C508 V509	V163-L165 HydrophobicContact CG1-CD2 3.74Å; V163-L165 HydrophobicContact CG1-CG 4.3Å; V163-C508 CarbonylContact O-C 3.51Å; V163-C508 WeakPolarHBondContact O-CA 3.38Å; V163-V509 HydrophobicContact CB-CB 4.36Å; V163-V509 PolarHBondContact N-O 3.06Å; V163-V509 PolarHBondContact O-N 2.83Å
164	V	95.7	Very high	93.4	Very high	55 Å²	55	59.6 Å²	59.6	33%	0.333	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	105.5	175.8	-174.4	0	0	0	0	109.3	R166	V164-R166 HydrophobicContact CG1-CG 4.25Å
165	L	95.9	Very high	94.2	Very high	6 Å²	6	52.3 Å²	52.3	3%	0.031	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	124.3	177.2	-53.9	171.4	0	0	0	108.9	V163 W196 L198 V507 V509	V163-L165 HydrophobicContact CG1-CD2 3.74Å; V163-L165 HydrophobicContact CG1-CG 4.3Å; L165-W196 HydrophobicContact CB-CD2 4.19Å; L165-W196 HydrophobicContact CB-CE3 3.81Å; L165-W196 HydrophobicContact CB-CH2 3.92Å; L165-W196 HydrophobicContact CB-CZ2 4.35Å; L165-W196 HydrophobicContact CB-CZ3 3.64Å; L165-W196 HydrophobicContact CD1-CB 3.82Å; L165-W196 HydrophobicContact CD1-CD2 3.74Å; L165-W196 HydrophobicContact CD1-CE3 3.91Å; L165-W196 HydrophobicContact CD1-CG 3.7Å; L165-W196 HydrophobicContact CD2-CE3 4.24Å; L165-W196 HydrophobicContact CG-CD2 4.48Å; L165-W196 HydrophobicContact CG-CE3 4.21Å; L165-W196 HydrophobicContact CG-CZ3 4.5Å; L165-L198 HydrophobicContact CD1-CD1 4.37Å; L165-L198 HydrophobicContact CD1-CD2 4.2Å; L165-L198 HydrophobicContact CD2-CD1 4.39Å; L165-V507 WeakPolarHBondContact CA-O 3.43Å; L165-V507 HydrophobicContact CB-CB 4.26Å; L165-V507 VanDerWaalsContact CB-O 3.26Å; L165-V507 WeakPolarHBondContact CB-O 3.47Å; L165-V507 HydrophobicContact CD1-CG1 4.4Å; L165-V507 PolarHBondContact N-O 2.81Å; L165-V507 PolarHBondContact O-N 2.9Å; L165-V509 HydrophobicContact CD1-CG2 3.86Å
166	R	93.5	Very high	94.5	Very high	144 Å²	144	52.2 Å²	52.2	54%	0.543	28%	0.281	S	S	.	.			trans	-118.1	152.3	178.8	-65.4	-169.3	-180	-79.1	-4.3	110.8	V164	V164-R166 HydrophobicContact CG1-CG 4.25Å
167	G	91.4	Very high	94.7	Very high	20 Å²	20	50.1 Å²	50.1	21%	0.206	27%	0.271	C	S	.	.			trans	150.9	-25.8	174.2	0	0	0	0	0	112.8	R194	G167-R194 VanDerWaalsContact C-NH2 3.29Å; G167-R194 PolarHBondContact O-NH1 3.3Å; G167-R194 VanDerWaalsContact O-NH1 3.07Å; G167-R194 PolarHBondContact O-NH2 3.44Å
168	H	94.5	Very high	94.8	Very high	13 Å²	13	49.9 Å²	49.9	6%	0.06	27%	0.269	C	S	.	.			trans	-64	141.8	167.7	-78.4	-64.6	0	0	0	110	V172 S186 S188 D190 T192 R194 W196 G505	H168-V172 HydrophobicContact CB-CG2 3.77Å; H168-S186 PolarHBondContact NE2-OG 3.22Å; H168-S188 WeakPolarHBondContact CE1-CB 3.44Å; H168-S188 WeakPolarHBondContact ND1-CB 3.1Å; H168-D190 WeakPolarHBondContact CA-OD2 3.49Å; H168-D190 IonicContact CE1-OD1 2.85Å; H168-D190 IonicContact CG-OD2 2.89Å; H168-D190 IonicContact ND1-OD1 3.84Å; H168-D190 PolarHBondContact ND1-OD1 3.28Å; H168-D190 IonicContact ND1-OD2 3.28Å; H168-D190 PolarHBondContact ND1-OD2 3.39Å; H168-T192 PolarHBondContact CE1-O 3.27Å; H168-T192 PolarHBondContact CE1-OG1 3.5Å; H168-T192 VanDerWaalsContact CE1-OG1 3.3Å; H168-T192 PolarHBondContact ND1-OG1 3.12Å; H168-R194 VanDerWaalsContact CE1-CD 3.49Å; H168-R194 WeakPolarHBondContact CE1-CD 3.44Å; H168-R194 PolarHBondContact CE1-NE 2.95Å; H168-R194 PolarHBondContact ND1-NE 3.29Å; H168-R194 WeakPolarHBondContact NE2-CD 3.26Å; H168-W196 AromaticContact CD2-CZ2 3.98Å; H168-G505 WeakPolarHBondContact CB-O 3.29Å
169	E	91.1	Very high	95	Very high	164 Å²	164	50 Å²	50	77%	0.766	27%	0.27	S	S	*	.	S	Bend	trans	-103.4	2.6	-173.6	-57.4	-65.7	152.2	0	0	112.8	D190	E169-D190 HydrophobicContact CB-CB 4.11Å; E169-D190 PolarHBondContact N-OD2 3.19Å; E169-D190 VanDerWaalsContact N-OD2 3.09Å
170	S	89.3	Confident	95.1	Very high	42 Å²	42	48.7 Å²	48.7	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	-149.8	-178.7	179	-145	0	0	0	0	109.5	V172 S188 G505	S170-V172 PolarHBondContact O-N 3.13Å; S170-S188 PolarHBondContact O-OG 3.06Å; S170-G505 WeakPolarHBondContact O-CA 3.14Å
171	E	91	Very high	95.2	Very high	52 Å²	52	44 Å²	44	24%	0.243	24%	0.238	C	C	.	.			trans	-44.7	136.1	172.9	-59.2	81.8	177.8	0	0	112.1	F173 S188 G189 F487	E171-F173 HydrophobicContact CB-CD1 4.26Å; E171-F173 HydrophobicContact CB-CE1 3.67Å; E171-F173 HydrophobicContact CB-CZ 3.86Å; E171-F173 HydrophobicContact CG-CE1 4.29Å; E171-S188 CarbonylContact O-C 3.34Å; E171-S188 WeakPolarHBondContact O-CA 3.23Å; E171-S188 VanDerWaalsContact O-CB 3.25Å; E171-S188 WeakPolarHBondContact O-CB 3.33Å; E171-S188 PolarHBondContact O-OG 2.8Å; E171-G189 PolarHBondContact O-N 3.15Å; E171-F487 HydrophobicContact CB-CE2 3.93Å; E171-F487 HydrophobicContact CG-CE2 4.19Å
172	V	96.2	Very high	95.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	105.2	171.4	-165.7	0	0	0	0	107.8	H168 S170 G187 F487 S501 A502 V507	H168-V172 HydrophobicContact CB-CG2 3.77Å; S170-V172 PolarHBondContact O-N 3.13Å; V172-G187 CarbonylContact C-O 3.59Å; V172-G187 VanDerWaalsContact CG1-O 3.27Å; V172-G187 WeakPolarHBondContact CG1-O 3.3Å; V172-F487 VanDerWaalsContact O-CD2 3.32Å; V172-F487 WeakPolarHBondContact O-CD2 3.49Å; V172-S501 CarbonylContact O-C 3.57Å; V172-S501 WeakPolarHBondContact O-CB 3.48Å; V172-S501 PolarHBondContact O-OG 3.25Å; V172-A502 PolarHBondContact N-O 3.39Å; V172-V507 HydrophobicContact CB-CG2 4.36Å; V172-V507 HydrophobicContact CG1-CG2 3.89Å; V172-V507 HydrophobicContact CG2-CG2 4.11Å
173	F	93.4	Very high	95.3	Very high	51 Å²	51	43.7 Å²	43.7	22%	0.224	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-28.9	-173.3	-58.1	-61.2	0	0	0	113	E171 G187 D227 F487	E171-F173 HydrophobicContact CB-CD1 4.26Å; E171-F173 HydrophobicContact CB-CE1 3.67Å; E171-F173 HydrophobicContact CB-CZ 3.86Å; E171-F173 HydrophobicContact CG-CE1 4.29Å; F173-G187 PolarHBondContact N-O 2.66Å; F173-D227 HydrophobicContact CE2-CB 4.04Å; F173-D227 WeakPolarHBondContact CE2-OD2 3.44Å; F173-F487 HydrophobicContact CD1-CD1 4.36Å; F173-F487 HydrophobicContact CD1-CD2 4.18Å; F173-F487 HydrophobicContact CD1-CE1 4.12Å; F173-F487 AromaticContact CD1-CE2 3.91Å; F173-F487 HydrophobicContact CD1-CE2 3.91Å; F173-F487 HydrophobicContact CD1-CG 4.39Å; F173-F487 AromaticContact CD1-CZ 3.87Å; F173-F487 HydrophobicContact CD1-CZ 3.87Å; F173-F487 HydrophobicContact CE1-CE1 4.47Å; F173-F487 HydrophobicContact CE1-CE2 4.15Å; F173-F487 AromaticContact CE1-CZ 3.94Å; F173-F487 HydrophobicContact CE1-CZ 3.94Å; F173-F487 VanDerWaalsContact O-CB 3.27Å; F173-F487 WeakPolarHBondContact O-CB 3.24Å
174	I	97.5	Very high	95.4	Very high	22 Å²	22	40.3 Å²	40.3	11%	0.113	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	147.8	-166.5	56	-175.8	0	0	0	112.2	S186 G187 V228 L231 E488	I174-S186 CarbonylContact O-C 3.56Å; I174-S186 VanDerWaalsContact O-CA 3.24Å; I174-S186 WeakPolarHBondContact O-CA 3.24Å; I174-G187 PolarHBondContact N-O 3.18Å; I174-G187 PolarHBondContact O-N 3.2Å; I174-V228 HydrophobicContact CD1-CG1 4.38Å; I174-L231 HydrophobicContact CB-CD2 4.49Å; I174-L231 HydrophobicContact CB-CG 4.45Å; I174-L231 HydrophobicContact CD1-CB 3.96Å; I174-L231 HydrophobicContact CD1-CD2 3.67Å; I174-L231 HydrophobicContact CD1-CG 3.57Å; I174-L231 HydrophobicContact CG1-CD2 3.67Å; I174-L231 HydrophobicContact CG1-CG 3.92Å; I174-E488 WeakPolarHBondContact CA-OE2 3.34Å; I174-E488 WeakPolarHBondContact CB-OE2 3.45Å; I174-E488 WeakPolarHBondContact CG2-OE2 3.49Å
175	C	98.5	Very high	95.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	143.2	168.3	62.4	0	0	0	0	112.2	L184 A185 E488 C490	C175-L184 HydrophobicContact CB-CD1 4.11Å; C175-A185 CarbonylContact C-O 3.59Å; C175-A185 WeakPolarHBondContact CA-O 3.22Å; C175-A185 WeakPolarHBondContact CB-O 3.46Å; C175-E488 PolarHBondContact N-OE2 3.3Å; C175-C490 PolarHBondContact O-SG 3.48Å; C175-C490 VanDerWaalsContact SG-SG 3.64Å
176	A	98.7	Very high	95.7	Very high	21 Å²	21	37.4 Å²	37.4	17%	0.174	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	131.3	178.1	0	0	0	0	0	111.9	A185 L231 W233	A176-A185 PolarHBondContact N-O 2.97Å; A176-A185 PolarHBondContact O-N 3.44Å; A176-L231 HydrophobicContact CB-CD1 3.49Å; A176-L231 VanDerWaalsContact CB-CD1 3.49Å; A176-W233 PolarHBondContact O-NE1 2.97Å
177	W	98.6	Very high	95.9	Very high	18 Å²	18	30.5 Å²	30.5	7%	0.068	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.2	172.4	-71.3	94.8	0	0	0	111.6	D182 L183 L184 L198 W233 C490 N492 K497 V509	W177-D182 HydrophobicContact CE3-CB 4.48Å; W177-D182 HydrophobicContact CZ3-CB 3.86Å; W177-L183 CarbonylContact C-O 3.45Å; W177-L183 WeakPolarHBondContact CA-O 3.32Å; W177-L184 HydrophobicContact CD2-CB 4.3Å; W177-L184 HydrophobicContact CD2-CD1 3.94Å; W177-L184 HydrophobicContact CE3-CB 4.13Å; W177-L184 HydrophobicContact CG-CD1 3.95Å; W177-L184 HydrophobicContact CH2-CB 4.43Å; W177-L184 HydrophobicContact CZ2-CD2 4.48Å; W177-L184 HydrophobicContact CZ3-CB 4.2Å; W177-L198 HydrophobicContact CH2-CB 4.05Å; W177-L198 HydrophobicContact CH2-CG 4.03Å; W177-L198 HydrophobicContact CZ3-CB 4.08Å; W177-L198 HydrophobicContact CZ3-CG 4.34Å; W177-W233 VanDerWaalsContact O-CD1 3.31Å; W177-C490 PolarHBondContact NE1-O 2.86Å; W177-N492 HydrophobicContact CB-CB 4.32Å; W177-N492 VanDerWaalsContact CD1-N 3.26Å; W177-N492 HydrophobicContact CD2-CB 3.52Å; W177-N492 HydrophobicContact CE3-CB 3.8Å; W177-N492 VanDerWaalsContact CG-CA 3.46Å; W177-N492 HydrophobicContact CG-CB 3.77Å; W177-N492 HydrophobicContact CZ2-CB 4.34Å; W177-N492 HydrophobicContact CZ3-CB 4.31Å; W177-K497 HydrophobicContact CH2-CB 4.27Å; W177-K497 HydrophobicContact CH2-CD 4.14Å; W177-K497 HydrophobicContact CZ2-CB 3.92Å; W177-V509 HydrophobicContact CH2-CG1 3.91Å; W177-V509 HydrophobicContact CH2-CG2 4.38Å; W177-V509 HydrophobicContact CZ2-CG1 3.88Å; W177-V509 HydrophobicContact CZ2-CG2 4.26Å
178	N	98.5	Very high	96.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.162	C	C	.	.			trans	-66.6	136.8	169.4	-177.7	-78.5	0	0	0	109.6	V180 S181 L183 W233 G237	N178-V180 PolarHBondContact O-N 3.13Å; N178-V180 WeakPolarHBondContact OD1-CG2 3.48Å; N178-V180 PolarHBondContact OD1-N 2.9Å; N178-V180 VanDerWaalsContact OD1-N 3.14Å; N178-S181 PolarHBondContact OD1-N 3.45Å; N178-S181 PolarHBondContact OD1-OG 3.43Å; N178-L183 HydrophobicContact CB-CB 3.76Å; N178-L183 VanDerWaalsContact CB-O 3.31Å; N178-L183 WeakPolarHBondContact CB-O 3.09Å; N178-L183 PolarHBondContact N-O 2.81Å; N178-W233 HydrophobicContact CB-CD2 4.2Å; N178-W233 HydrophobicContact CB-CZ2 4.13Å; N178-W233 VanDerWaalsContact ND2-CE3 3.28Å; N178-W233 VanDerWaalsContact ND2-CZ3 3.28Å; N178-W233 WeakPolarHBondContact ND2-CZ3 3.1Å; N178-G237 VanDerWaalsContact ND2-CA 3.34Å; N178-G237 WeakPolarHBondContact ND2-CA 3.4Å; N178-G237 PolarHBondContact ND2-O 2.74Å
179	P	97.6	Very high	95.8	Very high	56 Å²	56	29.6 Å²	29.6	36%	0.364	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.3	-171.1	26.6	-35.2	0	0	0	114.5	N234 S235 A493	P179-N234 WeakPolarHBondContact CG-O 3.19Å; P179-S235 WeakPolarHBondContact CG-O 3.31Å; P179-A493 WeakPolarHBondContact O-CB 3.31Å
180	V	96.5	Very high	95.8	Very high	93 Å²	93	23 Å²	23	56%	0.564	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.9	-6	-173.9	-59.1	0	0	0	0	113.9	N178 E236	N178-V180 PolarHBondContact O-N 3.13Å; N178-V180 WeakPolarHBondContact OD1-CG2 3.48Å; N178-V180 PolarHBondContact OD1-N 2.9Å; N178-V180 VanDerWaalsContact OD1-N 3.14Å; V180-E236 WeakPolarHBondContact CG2-O 3.3Å
181	S	95.4	Very high	95.9	Very high	37 Å²	37	21.6 Å²	21.6	26%	0.259	13%	0.126	S	C	.	.	S	Bend	trans	-155.3	160	-177.4	54.5	0	0	0	0	111.4	N178 L183	N178-S181 PolarHBondContact OD1-N 3.45Å; N178-S181 PolarHBondContact OD1-OG 3.43Å; S181-L183 PolarHBondContact O-N 3.16Å
182	D	95.7	Very high	96.1	Very high	34 Å²	34	19.3 Å²	19.3	18%	0.182	12%	0.116	C	C	.	.	S	Bend	trans	-76.7	53.7	175.4	-79.7	-5	0	0	0	111.6	W177 L198 N492 K497	W177-D182 HydrophobicContact CE3-CB 4.48Å; W177-D182 HydrophobicContact CZ3-CB 3.86Å; D182-L198 HydrophobicContact CB-CB 4.4Å; D182-L198 WeakPolarHBondContact O-CA 3.33Å; D182-L198 WeakPolarHBondContact O-CB 3.36Å; D182-L198 PolarHBondContact O-N 2.53Å; D182-N492 PolarHBondContact OD1-ND2 2.91Å; D182-K497 IonicContact OD2-NZ 2.9Å; D182-K497 PolarHBondContact OD2-NZ 3.43Å
183	L	97.1	Very high	96.2	Very high	17 Å²	17	19.3 Å²	19.3	9%	0.089	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.1	164.2	-59.8	179.2	0	0	0	108.4	W177 N178 S181 I195 W196 N197	W177-L183 CarbonylContact C-O 3.45Å; W177-L183 WeakPolarHBondContact CA-O 3.32Å; N178-L183 HydrophobicContact CB-CB 3.76Å; N178-L183 VanDerWaalsContact CB-O 3.31Å; N178-L183 WeakPolarHBondContact CB-O 3.09Å; N178-L183 PolarHBondContact N-O 2.81Å; S181-L183 PolarHBondContact O-N 3.16Å; L183-I195 HydrophobicContact CB-CG2 4.13Å; L183-I195 HydrophobicContact CD1-CG2 4.33Å; L183-I195 HydrophobicContact CD2-CG2 4.46Å; L183-W196 CarbonylContact C-O 3.44Å; L183-W196 VanDerWaalsContact CA-O 3.32Å; L183-W196 WeakPolarHBondContact CA-O 3.43Å; L183-N197 HydrophobicContact CD2-CB 3.75Å
184	L	98.3	Very high	96.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.7	174	-178.3	61.8	0	0	0	108.7	C175 W177 I195 W196 L198 V507 V509	C175-L184 HydrophobicContact CB-CD1 4.11Å; W177-L184 HydrophobicContact CD2-CB 4.3Å; W177-L184 HydrophobicContact CD2-CD1 3.94Å; W177-L184 HydrophobicContact CE3-CB 4.13Å; W177-L184 HydrophobicContact CG-CD1 3.95Å; W177-L184 HydrophobicContact CH2-CB 4.43Å; W177-L184 HydrophobicContact CZ2-CD2 4.48Å; W177-L184 HydrophobicContact CZ3-CB 4.2Å; L184-I195 CarbonylContact O-C 3.57Å; L184-I195 WeakPolarHBondContact O-CA 3.25Å; L184-W196 HydrophobicContact CB-CB 4.33Å; L184-W196 PolarHBondContact N-O 3.43Å; L184-W196 PolarHBondContact O-N 2.78Å; L184-L198 HydrophobicContact CB-CD2 4.17Å; L184-V507 HydrophobicContact CD2-CG1 3.54Å; L184-V509 HydrophobicContact CD2-CG2 3.78Å
185	A	98.6	Very high	96.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.7	167.2	0	0	0	0	0	109.8	C175 A176 R194 L231 W233 L240	C175-A185 CarbonylContact C-O 3.59Å; C175-A185 WeakPolarHBondContact CA-O 3.22Å; C175-A185 WeakPolarHBondContact CB-O 3.46Å; A176-A185 PolarHBondContact N-O 2.97Å; A176-A185 PolarHBondContact O-N 3.44Å; A185-R194 CarbonylContact C-O 3.53Å; A185-R194 VanDerWaalsContact CA-O 3.23Å; A185-R194 WeakPolarHBondContact CA-O 3.31Å; A185-L231 HydrophobicContact CB-CD1 4.01Å; A185-L231 HydrophobicContact CB-CD2 4.27Å; A185-W233 HydrophobicContact CB-CZ2 3.84Å; A185-L240 HydrophobicContact CB-CD1 3.93Å; A185-L240 HydrophobicContact CB-CD2 3.92Å
186	S	98.5	Very high	96.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	149.2	169.8	61.8	0	0	0	0	111.6	H168 I174 A193 R194 W196 L231	H168-S186 PolarHBondContact NE2-OG 3.22Å; I174-S186 CarbonylContact O-C 3.56Å; I174-S186 VanDerWaalsContact O-CA 3.24Å; I174-S186 WeakPolarHBondContact O-CA 3.24Å; S186-A193 CarbonylContact O-C 3.56Å; S186-A193 WeakPolarHBondContact O-CA 3.32Å; S186-A193 WeakPolarHBondContact O-CB 3.49Å; S186-R194 PolarHBondContact N-O 2.94Å; S186-R194 PolarHBondContact O-N 2.84Å; S186-W196 PolarHBondContact OG-NE1 2.97Å; S186-L231 VanDerWaalsContact C-CD2 3.48Å
187	G	97.3	Very high	96.1	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.5	178.6	0	0	0	0	0	111.1	V172 F173 I174	V172-G187 CarbonylContact C-O 3.59Å; V172-G187 VanDerWaalsContact CG1-O 3.27Å; V172-G187 WeakPolarHBondContact CG1-O 3.3Å; F173-G187 PolarHBondContact N-O 2.66Å; I174-G187 PolarHBondContact N-O 3.18Å; I174-G187 PolarHBondContact O-N 3.2Å
188	S	95.5	Very high	95.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	160.2	-169	173.3	0	0	0	0	113.4	H168 S170 E171 D190 S191 T192 V228	H168-S188 WeakPolarHBondContact CE1-CB 3.44Å; H168-S188 WeakPolarHBondContact ND1-CB 3.1Å; S170-S188 PolarHBondContact O-OG 3.06Å; E171-S188 CarbonylContact O-C 3.34Å; E171-S188 WeakPolarHBondContact O-CA 3.23Å; E171-S188 VanDerWaalsContact O-CB 3.25Å; E171-S188 WeakPolarHBondContact O-CB 3.33Å; E171-S188 PolarHBondContact O-OG 2.8Å; S188-D190 WeakPolarHBondContact CB-OD1 3.48Å; S188-D190 PolarHBondContact O-N 3.42Å; S188-D190 PolarHBondContact OG-N 3.19Å; S188-D190 VanDerWaalsContact OG-N 3.12Å; S188-D190 PolarHBondContact OG-OD1 2.89Å; S188-S191 PolarHBondContact O-N 2.87Å; S188-T192 PolarHBondContact N-O 2.91Å; S188-V228 PolarHBondContact O-N 3.38Å
189	G	89.5	Confident	95.2	Very high	14 Å²	14	20.3 Å²	20.3	14%	0.144	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-15.8	166.2	0	0	0	0	0	113.9	E171 S191	E171-G189 PolarHBondContact O-N 3.15Å; G189-S191 PolarHBondContact O-N 3.04Å
190	D	89.9	Confident	94.2	Very high	26 Å²	26	23.9 Å²	23.9	14%	0.139	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	9.7	176.3	77.4	0.2	0	0	0	114.6	H168 E169 S188 T192 R194	H168-D190 WeakPolarHBondContact CA-OD2 3.49Å; H168-D190 IonicContact CE1-OD1 2.85Å; H168-D190 IonicContact CG-OD2 2.89Å; H168-D190 IonicContact ND1-OD1 3.84Å; H168-D190 PolarHBondContact ND1-OD1 3.28Å; H168-D190 IonicContact ND1-OD2 3.28Å; H168-D190 PolarHBondContact ND1-OD2 3.39Å; E169-D190 HydrophobicContact CB-CB 4.11Å; E169-D190 PolarHBondContact N-OD2 3.19Å; E169-D190 VanDerWaalsContact N-OD2 3.09Å; S188-D190 WeakPolarHBondContact CB-OD1 3.48Å; S188-D190 PolarHBondContact O-N 3.42Å; S188-D190 PolarHBondContact OG-N 3.19Å; S188-D190 VanDerWaalsContact OG-N 3.12Å; S188-D190 PolarHBondContact OG-OD1 2.89Å; D190-T192 VanDerWaalsContact CG-OG1 3.25Å; D190-T192 PolarHBondContact O-N 3.13Å; D190-T192 WeakPolarHBondContact OD1-CA 3.33Å; D190-T192 VanDerWaalsContact OD1-CB 3.29Å; D190-T192 WeakPolarHBondContact OD1-CB 3.44Å; D190-T192 PolarHBondContact OD1-N 2.77Å; D190-T192 PolarHBondContact OD1-OG1 3.01Å; D190-T192 PolarHBondContact OD2-OG1 3.08Å; D190-R194 IonicContact OD2-NH2 3.88Å; D190-R194 PolarHBondContact OD2-NH2 2.85Å
191	S	91.9	Very high	92.5	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.084	15%	0.147	C	C	.	.	S	Bend	trans	61.7	23.5	-175.6	71.4	0	0	0	0	115.1	S188 G189 H213 K226	S188-S191 PolarHBondContact O-N 2.87Å; G189-S191 PolarHBondContact O-N 3.04Å; S191-H213 WeakPolarHBondContact O-CB 3.32Å; S191-H213 PolarHBondContact O-N 3.36Å; S191-K226 VanDerWaalsContact CA-O 3.29Å; S191-K226 WeakPolarHBondContact CA-O 3.42Å; S191-K226 WeakPolarHBondContact CB-O 3.37Å
192	T	95.4	Very high	90.6	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.025	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.1	173.3	75.2	0	0	0	0	111.7	H168 S188 D190 R194 V210 L211 R212 V228	H168-T192 PolarHBondContact CE1-O 3.27Å; H168-T192 PolarHBondContact CE1-OG1 3.5Å; H168-T192 VanDerWaalsContact CE1-OG1 3.3Å; H168-T192 PolarHBondContact ND1-OG1 3.12Å; S188-T192 PolarHBondContact N-O 2.91Å; D190-T192 VanDerWaalsContact CG-OG1 3.25Å; D190-T192 PolarHBondContact O-N 3.13Å; D190-T192 WeakPolarHBondContact OD1-CA 3.33Å; D190-T192 VanDerWaalsContact OD1-CB 3.29Å; D190-T192 WeakPolarHBondContact OD1-CB 3.44Å; D190-T192 PolarHBondContact OD1-N 2.77Å; D190-T192 PolarHBondContact OD1-OG1 3.01Å; D190-T192 PolarHBondContact OD2-OG1 3.08Å; T192-R194 PolarHBondContact OG1-NE 2.84Å; T192-V210 HydrophobicContact CG2-CG1 3.93Å; T192-L211 WeakPolarHBondContact CA-O 3.38Å; T192-R212 HydrophobicContact CG2-CG 4.4Å; T192-V228 WeakPolarHBondContact O-CG2 3.19Å
193	A	97.7	Very high	88.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	154.2	152.1	0	0	0	0	0	108.4	S186 L211 V228 T242	S186-A193 CarbonylContact O-C 3.56Å; S186-A193 WeakPolarHBondContact O-CA 3.32Å; S186-A193 WeakPolarHBondContact O-CB 3.49Å; A193-L211 HydrophobicContact CB-CB 4.06Å; A193-L211 HydrophobicContact CB-CD2 4.31Å; A193-L211 PolarHBondContact N-O 3.01Å; A193-L211 WeakPolarHBondContact O-CA 3.2Å; A193-L211 WeakPolarHBondContact O-CB 3.21Å; A193-L211 PolarHBondContact O-N 3.44Å; A193-V228 HydrophobicContact CB-CG1 4.5Å; A193-T242 HydrophobicContact CB-CG2 4.15Å
194	R	97.8	Very high	85.9	Confident	18 Å²	18	35.6 Å²	35.6	7%	0.068	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143	175.2	-66.1	178.5	-170.6	-128.2	1.4	110.4	G167 H168 A185 S186 D190 T192 W196 Q208 L209 V210	G167-R194 VanDerWaalsContact C-NH2 3.29Å; G167-R194 PolarHBondContact O-NH1 3.3Å; G167-R194 VanDerWaalsContact O-NH1 3.07Å; G167-R194 PolarHBondContact O-NH2 3.44Å; H168-R194 VanDerWaalsContact CE1-CD 3.49Å; H168-R194 WeakPolarHBondContact CE1-CD 3.44Å; H168-R194 PolarHBondContact CE1-NE 2.95Å; H168-R194 PolarHBondContact ND1-NE 3.29Å; H168-R194 WeakPolarHBondContact NE2-CD 3.26Å; A185-R194 CarbonylContact C-O 3.53Å; A185-R194 VanDerWaalsContact CA-O 3.23Å; A185-R194 WeakPolarHBondContact CA-O 3.31Å; S186-R194 PolarHBondContact N-O 2.94Å; S186-R194 PolarHBondContact O-N 2.84Å; D190-R194 IonicContact OD2-NH2 3.88Å; D190-R194 PolarHBondContact OD2-NH2 2.85Å; T192-R194 PolarHBondContact OG1-NE 2.84Å; R194-W196 HydrophobicContact CB-CD2 4.47Å; R194-W196 HydrophobicContact CB-CZ2 3.91Å; R194-W196 HydrophobicContact CG-CZ2 4.36Å; R194-Q208 VanDerWaalsContact NH1-CD 3.33Å; R194-L209 WeakPolarHBondContact CA-O 3.41Å; R194-V210 HydrophobicContact CG-CG2 4.47Å
195	I	98	Very high	83.8	Confident	3 Å²	3	38.7 Å²	38.7	2%	0.015	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.1	170.5	-57.3	169.7	0	0	0	107.1	L183 L184 L209 L211 W233 L240	L183-I195 HydrophobicContact CB-CG2 4.13Å; L183-I195 HydrophobicContact CD1-CG2 4.33Å; L183-I195 HydrophobicContact CD2-CG2 4.46Å; L184-I195 CarbonylContact O-C 3.57Å; L184-I195 WeakPolarHBondContact O-CA 3.25Å; I195-L209 HydrophobicContact CB-CB 4.2Å; I195-L209 HydrophobicContact CB-CD1 4.26Å; I195-L209 PolarHBondContact N-O 3.35Å; I195-L209 PolarHBondContact O-N 2.8Å; I195-L211 HydrophobicContact CD1-CD1 4.05Å; I195-L211 HydrophobicContact CD1-CD2 4.06Å; I195-L211 HydrophobicContact CG1-CD1 4.07Å; I195-L211 HydrophobicContact CG1-CD2 4.34Å; I195-W233 HydrophobicContact CD1-CH2 3.9Å; I195-W233 HydrophobicContact CD1-CZ2 4.45Å; I195-W233 HydrophobicContact CG1-CH2 4.29Å; I195-W233 HydrophobicContact CG1-CZ2 4.35Å; I195-W233 HydrophobicContact CG2-CH2 4.39Å; I195-W233 HydrophobicContact CG2-CZ2 4.4Å; I195-L240 HydrophobicContact CD1-CD2 4.48Å; I195-L240 HydrophobicContact CG1-CD2 4.39Å
196	W	96.8	Very high	82	Confident	6 Å²	6	41.3 Å²	41.3	2%	0.023	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	127.8	-179.2	-46.1	93.1	0	0	0	108.8	L165 H168 L183 L184 S186 R194 L198 Q208 V507	L165-W196 HydrophobicContact CB-CD2 4.19Å; L165-W196 HydrophobicContact CB-CE3 3.81Å; L165-W196 HydrophobicContact CB-CH2 3.92Å; L165-W196 HydrophobicContact CB-CZ2 4.35Å; L165-W196 HydrophobicContact CB-CZ3 3.64Å; L165-W196 HydrophobicContact CD1-CB 3.82Å; L165-W196 HydrophobicContact CD1-CD2 3.74Å; L165-W196 HydrophobicContact CD1-CE3 3.91Å; L165-W196 HydrophobicContact CD1-CG 3.7Å; L165-W196 HydrophobicContact CD2-CE3 4.24Å; L165-W196 HydrophobicContact CG-CD2 4.48Å; L165-W196 HydrophobicContact CG-CE3 4.21Å; L165-W196 HydrophobicContact CG-CZ3 4.5Å; H168-W196 AromaticContact CD2-CZ2 3.98Å; L183-W196 CarbonylContact C-O 3.44Å; L183-W196 VanDerWaalsContact CA-O 3.32Å; L183-W196 WeakPolarHBondContact CA-O 3.43Å; L184-W196 HydrophobicContact CB-CB 4.33Å; L184-W196 PolarHBondContact N-O 3.43Å; L184-W196 PolarHBondContact O-N 2.78Å; S186-W196 PolarHBondContact OG-NE1 2.97Å; R194-W196 HydrophobicContact CB-CD2 4.47Å; R194-W196 HydrophobicContact CB-CZ2 3.91Å; R194-W196 HydrophobicContact CG-CZ2 4.36Å; W196-L198 VanDerWaalsContact C-CD2 3.48Å; W196-L198 HydrophobicContact CB-CD2 3.44Å; W196-L198 VanDerWaalsContact CB-CD2 3.44Å; W196-L198 VanDerWaalsContact O-CD2 3.27Å; W196-L198 WeakPolarHBondContact O-CD2 3.26Å; W196-Q208 HydrophobicContact CE3-CB 4.12Å; W196-Q208 HydrophobicContact CE3-CG 3.97Å; W196-Q208 HydrophobicContact CH2-CG 4.46Å; W196-Q208 HydrophobicContact CZ3-CB 4.3Å; W196-Q208 HydrophobicContact CZ3-CG 3.92Å; W196-V507 HydrophobicContact CZ2-CG2 4.29Å
197	N	94.4	Very high	80.8	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.214	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.3	175.1	-170.9	-13.6	0	0	0	110.8	L183 S199 S206 T207	L183-N197 HydrophobicContact CD2-CB 3.75Å; N197-S199 WeakPolarHBondContact OD1-CB 3.35Å; N197-S199 PolarHBondContact OD1-N 2.86Å; N197-S199 PolarHBondContact OD1-OG 2.72Å; N197-S206 WeakPolarHBondContact O-CA 3.38Å; N197-T207 WeakPolarHBondContact CB-OG1 3.41Å; N197-T207 PolarHBondContact N-O 3.36Å
198	L	92.6	Very high	80.3	Confident	25 Å²	25	48.2 Å²	48.2	13%	0.131	30%	0.295	C	S	.	.			trans	-113	15.5	-178.2	-69.4	-60.6	0	0	0	111.6	L165 W177 D182 L184 W196 E200 V509	L165-L198 HydrophobicContact CD1-CD1 4.37Å; L165-L198 HydrophobicContact CD1-CD2 4.2Å; L165-L198 HydrophobicContact CD2-CD1 4.39Å; W177-L198 HydrophobicContact CH2-CB 4.05Å; W177-L198 HydrophobicContact CH2-CG 4.03Å; W177-L198 HydrophobicContact CZ3-CB 4.08Å; W177-L198 HydrophobicContact CZ3-CG 4.34Å; D182-L198 HydrophobicContact CB-CB 4.4Å; D182-L198 WeakPolarHBondContact O-CA 3.33Å; D182-L198 WeakPolarHBondContact O-CB 3.36Å; D182-L198 PolarHBondContact O-N 2.53Å; L184-L198 HydrophobicContact CB-CD2 4.17Å; W196-L198 VanDerWaalsContact C-CD2 3.48Å; W196-L198 HydrophobicContact CB-CD2 3.44Å; W196-L198 VanDerWaalsContact CB-CD2 3.44Å; W196-L198 VanDerWaalsContact O-CD2 3.27Å; W196-L198 WeakPolarHBondContact O-CD2 3.26Å; L198-E200 PolarHBondContact O-N 3.5Å; L198-V509 HydrophobicContact CD1-CG2 4.19Å; L198-V509 HydrophobicContact CG-CG1 4.43Å; L198-V509 HydrophobicContact CG-CG2 4.12Å
199	S	85.9	Confident	80.3	Confident	41 Å²	41	51.3 Å²	51.3	29%	0.287	31%	0.311	S	S	.	.			trans	-67.6	130.2	175.2	63.8	0	0	0	0	111	N197 N201 S202	N197-S199 WeakPolarHBondContact OD1-CB 3.35Å; N197-S199 PolarHBondContact OD1-N 2.86Å; N197-S199 PolarHBondContact OD1-OG 2.72Å; S199-N201 PolarHBondContact O-N 3.47Å; S199-S202 PolarHBondContact O-N 2.82Å; S199-S202 VanDerWaalsContact O-N 3.1Å; S199-S202 PolarHBondContact O-OG 2.85Å; S199-S202 VanDerWaalsContact O-OG 3.05Å
200	E	75	Confident	80.6	Confident	132 Å²	132	53 Å²	53	62%	0.617	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.2	-177.3	-65.1	177.5	176	0	0	113.8	L198 S202 R513	L198-E200 PolarHBondContact O-N 3.5Å; E200-S202 VanDerWaalsContact C-N 3.29Å; E200-S202 PolarHBondContact O-N 2.96Å; E200-R513 IonicContact OE1-CZ 3.33Å; E200-R513 IonicContact OE1-NH1 3.48Å; E200-R513 PolarHBondContact OE1-NH1 3.22Å; E200-R513 IonicContact OE1-NH2 3.33Å; E200-R513 PolarHBondContact OE1-NH2 3.28Å
201	N	62.2	Low	80.8	Confident	151 Å²	151	51.8 Å²	51.8	81%	0.807	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-5.1	180	-65.5	-17.6	0	0	0	113.3	S199 T203	S199-N201 PolarHBondContact O-N 3.47Å; N201-T203 PolarHBondContact O-N 2.95Å; N201-T203 VanDerWaalsContact O-N 3.15Å
202	S	54.3	Low	80.9	Confident	39 Å²	39	59 Å²	59	27%	0.273	34%	0.337	S	S	.	.			trans	-76.2	102.1	176.6	66.4	0	0	0	0	110.4	S199 E200 S204	S199-S202 PolarHBondContact O-N 2.82Å; S199-S202 VanDerWaalsContact O-N 3.1Å; S199-S202 PolarHBondContact O-OG 2.85Å; S199-S202 VanDerWaalsContact O-OG 3.05Å; E200-S202 VanDerWaalsContact C-N 3.29Å; E200-S202 PolarHBondContact O-N 2.96Å; S202-S204 CarbonylContact C-O 3.56Å; S202-S204 WeakPolarHBondContact CB-O 3.45Å; S202-S204 PolarHBondContact O-N 2.86Å; S202-S204 PolarHBondContact OG-O 3.43Å
203	T	47.1	Very low	80.6	Confident	152 Å²	152	58.9 Å²	58.9	93%	0.933	34%	0.336	S	S	*	.	S	Bend	trans	-69.3	-9.6	177.3	46.1	0	0	0	0	114.2	N201	N201-T203 PolarHBondContact O-N 2.95Å; N201-T203 VanDerWaalsContact O-N 3.15Å
204	S	46.4	Very low	79.6	Confident	85 Å²	85	60.3 Å²	60.3	59%	0.594	35%	0.346	S	S	*	.	S	Bend	trans	-107.9	134.7	161.7	-79.4	0	0	0	0	107.4	S202	S202-S204 CarbonylContact C-O 3.56Å; S202-S204 WeakPolarHBondContact CB-O 3.45Å; S202-S204 PolarHBondContact O-N 2.86Å; S202-S204 PolarHBondContact OG-O 3.43Å
205	G	54.9	Low	78.3	Confident	65 Å²	65	62.1 Å²	62.1	67%	0.67	36%	0.356	S	S	*	.	S	Bend	trans	-47.1	163.2	-180	0	0	0	0	0	113.7	T207	G205-T207 PolarHBondContact O-N 3.46Å
206	S	60	Low	76.8	Confident	55 Å²	55	72 Å²	72	39%	0.385	39%	0.394	S	S	.	.			trans	-33.9	109.2	-170.2	61	0	0	0	0	113	N197	N197-S206 WeakPolarHBondContact O-CA 3.38Å
207	T	74.7	Confident	75.2	Confident	71 Å²	71	77.8 Å²	77.8	44%	0.436	42%	0.421	S	S	.	.			trans	-76.7	138.3	175.3	49.1	0	0	0	0	108.9	N197 G205	N197-T207 WeakPolarHBondContact CB-OG1 3.41Å; N197-T207 PolarHBondContact N-O 3.36Å; G205-T207 PolarHBondContact O-N 3.46Å
208	Q	87.1	Confident	73.8	Confident	73 Å²	73	80 Å²	80	34%	0.341	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.5	-176.9	175.7	-172	60	0	0	109	R194 W196 V210	R194-Q208 VanDerWaalsContact NH1-CD 3.33Å; W196-Q208 HydrophobicContact CE3-CB 4.12Å; W196-Q208 HydrophobicContact CE3-CG 3.97Å; W196-Q208 HydrophobicContact CH2-CG 4.46Å; W196-Q208 HydrophobicContact CZ3-CB 4.3Å; W196-Q208 HydrophobicContact CZ3-CG 3.92Å; Q208-V210 HydrophobicContact CG-CG2 4.15Å
209	L	94.4	Very high	72.6	Confident	65 Å²	65	82.3 Å²	82.3	34%	0.34	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.2	167.3	-56.1	172.1	0	0	0	108.4	R194 I195 L211 D255	R194-L209 WeakPolarHBondContact CA-O 3.41Å; I195-L209 HydrophobicContact CB-CB 4.2Å; I195-L209 HydrophobicContact CB-CD1 4.26Å; I195-L209 PolarHBondContact N-O 3.35Å; I195-L209 PolarHBondContact O-N 2.8Å; L209-L211 HydrophobicContact CB-CD1 4.07Å; L209-D255 VanDerWaalsContact CD1-C 3.48Å
210	V	95.4	Very high	71.6	Confident	49 Å²	49	87.3 Å²	87.3	30%	0.297	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.6	179.5	-175.7	0	0	0	0	109.4	T192 R194 Q208 R212	T192-V210 HydrophobicContact CG2-CG1 3.93Å; R194-V210 HydrophobicContact CG-CG2 4.47Å; Q208-V210 HydrophobicContact CG-CG2 4.15Å; V210-R212 HydrophobicContact CG1-CG 4.02Å; V210-R212 PolarHBondContact O-N 2.92Å
211	L	95.3	Very high	71.2	Confident	2 Å²	2	86 Å²	86	1%	0.01	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	89.6	-179	-72.3	60.1	0	0	0	108.2	T192 A193 I195 L209 H213 L240 W252	T192-L211 WeakPolarHBondContact CA-O 3.38Å; A193-L211 HydrophobicContact CB-CB 4.06Å; A193-L211 HydrophobicContact CB-CD2 4.31Å; A193-L211 PolarHBondContact N-O 3.01Å; A193-L211 WeakPolarHBondContact O-CA 3.2Å; A193-L211 WeakPolarHBondContact O-CB 3.21Å; A193-L211 PolarHBondContact O-N 3.44Å; I195-L211 HydrophobicContact CD1-CD1 4.05Å; I195-L211 HydrophobicContact CD1-CD2 4.06Å; I195-L211 HydrophobicContact CG1-CD1 4.07Å; I195-L211 HydrophobicContact CG1-CD2 4.34Å; L209-L211 HydrophobicContact CB-CD1 4.07Å; L211-H213 PolarHBondContact O-N 3.45Å; L211-H213 PolarHBondContact O-ND1 2.93Å; L211-H213 VanDerWaalsContact O-ND1 3.15Å; L211-L240 HydrophobicContact CD2-CD2 4.06Å; L211-W252 HydrophobicContact CB-CD2 4.09Å; L211-W252 HydrophobicContact CB-CE3 3.79Å; L211-W252 HydrophobicContact CB-CH2 4.06Å; L211-W252 HydrophobicContact CB-CZ2 4.31Å; L211-W252 HydrophobicContact CB-CZ3 3.77Å; L211-W252 HydrophobicContact CD2-CB 3.69Å; L211-W252 HydrophobicContact CD2-CD2 3.59Å; L211-W252 HydrophobicContact CD2-CE3 3.77Å; L211-W252 HydrophobicContact CD2-CG 3.55Å; L211-W252 HydrophobicContact CG-CD2 3.95Å; L211-W252 HydrophobicContact CG-CE3 3.61Å; L211-W252 HydrophobicContact CG-CG 4.4Å; L211-W252 HydrophobicContact CG-CZ3 4.05Å
212	R	92.9	Very high	71.4	Confident	164 Å²	164	81.2 Å²	81.2	62%	0.619	48%	0.475	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	118	-178	-60.9	-176.9	-174.1	-79.4	-1.9	110.1	T192 V210 C214 W252	T192-R212 HydrophobicContact CG2-CG 4.4Å; V210-R212 HydrophobicContact CG1-CG 4.02Å; V210-R212 PolarHBondContact O-N 2.92Å; R212-C214 PolarHBondContact O-N 2.84Å; R212-C214 VanDerWaalsContact O-N 3.13Å; R212-W252 WeakPolarHBondContact O-CH2 3.18Å
213	H	90	Very high	72	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	48%	0.481	C	S	.	.			trans	-76.9	105.1	176.2	-72.1	46.3	0	0	0	108.6	S191 L211 S224 T242 W252	S191-H213 WeakPolarHBondContact O-CB 3.32Å; S191-H213 PolarHBondContact O-N 3.36Å; L211-H213 PolarHBondContact O-N 3.45Å; L211-H213 PolarHBondContact O-ND1 2.93Å; L211-H213 VanDerWaalsContact O-ND1 3.15Å; H213-S224 WeakPolarHBondContact O-CB 3.5Å; H213-S224 PolarHBondContact O-N 3.27Å; H213-S224 PolarHBondContact O-OG 3.31Å; H213-T242 PolarHBondContact CE1-OG1 2.75Å; H213-T242 WeakPolarHBondContact NE2-CB 3.32Å; H213-T242 PolarHBondContact NE2-OG1 2.85Å; H213-W252 AromaticContact CE1-CE2 3.93Å; H213-W252 AromaticContact CE1-CZ2 3.51Å; H213-W252 AromaticContact CE1-NE1 3.96Å; H213-W252 AromaticContact ND1-CZ2 3.65Å; H213-W252 AromaticContact NE2-CZ2 3.96Å
214	C	75.8	Confident	72.9	Confident	31 Å²	31	75.5 Å²	75.5	21%	0.209	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	154.9	175.8	-60.1	0	0	0	0	110.7	R212 D221 V222 R250	R212-C214 PolarHBondContact O-N 2.84Å; R212-C214 VanDerWaalsContact O-N 3.13Å; C214-D221 HydrophobicContact CB-CB 3.77Å; C214-V222 CarbonylContact C-O 3.58Å; C214-V222 WeakPolarHBondContact CA-O 2.95Å; C214-V222 WeakPolarHBondContact CB-O 3.47Å; C214-R250 PolarHBondContact O-NH2 3.3Å
215	I	71.3	Confident	74	Confident	55 Å²	55	76.8 Å²	76.8	28%	0.282	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.7	164.1	54.8	172.8	0	0	0	108.3	E217 V222 F248	I215-E217 PolarHBondContact O-N 3.07Å; I215-V222 HydrophobicContact CG1-CB 4.34Å; I215-V222 WeakPolarHBondContact CG1-O 3.27Å; I215-V222 PolarHBondContact N-O 3.39Å; I215-V222 PolarHBondContact O-N 2.65Å; I215-F248 HydrophobicContact CG2-CD2 4.23Å; I215-F248 HydrophobicContact CG2-CE2 3.98Å
216	R	66.8	Low	75.1	Confident	211 Å²	211	77.5 Å²	77.5	80%	0.796	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	109.8	173.7	-78.2	-174.9	176.8	-176.9	3.4	109.4	Q220 D221	R216-Q220 WeakPolarHBondContact CA-O 3.35Å; R216-D221 VanDerWaalsContact CG-OD1 3.22Å; R216-D221 WeakPolarHBondContact CG-OD1 3.45Å; R216-D221 IonicContact NE-OD1 2.81Å
217	E	63.6	Low	76.4	Confident	128 Å²	128	76.6 Å²	76.6	60%	0.598	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.1	173.8	-158.9	175.3	-174.8	0	0	108.6	I215 G219 Q220 V222	I215-E217 PolarHBondContact O-N 3.07Å; E217-G219 PolarHBondContact O-N 3.32Å; E217-G219 VanDerWaalsContact O-N 3.09Å; E217-Q220 PolarHBondContact N-O 2.84Å; E217-Q220 PolarHBondContact O-N 3.01Å; E217-V222 HydrophobicContact CB-CG2 3.97Å
218	G	63.5	Low	77.3	Confident	87 Å²	87	73.2 Å²	73.2	90%	0.897	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	20.8	-178.8	0	0	0	0	0	115.5
219	G	68	Low	77.6	Confident	72 Å²	72	71 Å²	71	74%	0.742	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	4.7	-176.6	0	0	0	0	0	114.8	E217	E217-G219 PolarHBondContact O-N 3.32Å; E217-G219 VanDerWaalsContact O-N 3.09Å
220	Q	64.8	Low	77.6	Confident	147 Å²	147	68.4 Å²	68.4	69%	0.687	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.7	171.5	-67.1	-176.7	-4.7	0	0	110.5	R216 E217 V222	R216-Q220 WeakPolarHBondContact CA-O 3.35Å; E217-Q220 PolarHBondContact N-O 2.84Å; E217-Q220 PolarHBondContact O-N 3.01Å; Q220-V222 PolarHBondContact O-N 2.69Å
221	D	67.3	Low	77.8	Confident	105 Å²	105	66.7 Å²	66.7	56%	0.561	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.5	107.6	172	-71.4	-22.4	0	0	0	108.6	C214 R216	C214-D221 HydrophobicContact CB-CB 3.77Å; R216-D221 VanDerWaalsContact CG-OD1 3.22Å; R216-D221 WeakPolarHBondContact CG-OD1 3.45Å; R216-D221 IonicContact NE-OD1 2.81Å
222	V	65.4	Low	77.9	Confident	50 Å²	50	67.8 Å²	67.8	30%	0.303	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.6	176	-177.1	0	0	0	0	107.8	C214 I215 E217 Q220 S224	C214-V222 CarbonylContact C-O 3.58Å; C214-V222 WeakPolarHBondContact CA-O 2.95Å; C214-V222 WeakPolarHBondContact CB-O 3.47Å; I215-V222 HydrophobicContact CG1-CB 4.34Å; I215-V222 WeakPolarHBondContact CG1-O 3.27Å; I215-V222 PolarHBondContact N-O 3.39Å; I215-V222 PolarHBondContact O-N 2.65Å; E217-V222 HydrophobicContact CB-CG2 3.97Å; Q220-V222 PolarHBondContact O-N 2.69Å; V222-S224 PolarHBondContact O-N 3.41Å
223	P	66.8	Low	78.2	Confident	61 Å²	61	60.8 Å²	60.8	40%	0.396	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	132	173.9	-26.5	34.7	0	0	0	110.6	N225	P223-N225 PolarHBondContact O-N 3.17Å
224	S	66.6	Low	78.6	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.063	34%	0.344	C	S	.	.			trans	-61	-27.8	178.6	66.4	0	0	0	0	110.9	H213 V222 K226 D246	H213-S224 WeakPolarHBondContact O-CB 3.5Å; H213-S224 PolarHBondContact O-N 3.27Å; H213-S224 PolarHBondContact O-OG 3.31Å; V222-S224 PolarHBondContact O-N 3.41Å; S224-K226 WeakPolarHBondContact O-CG 3.46Å; S224-K226 PolarHBondContact O-N 2.78Å; S224-K226 PolarHBondContact O-NZ 3.48Å; S224-K226 VanDerWaalsContact O-NZ 3.14Å; S224-K226 PolarHBondContact OG-N 2.9Å; S224-K226 VanDerWaalsContact OG-N 3.16Å; S224-K226 PolarHBondContact OG-O 3.41Å; S224-D246 WeakPolarHBondContact CB-OD2 3.3Å
225	N	69.6	Low	79.6	Confident	113 Å²	113	62.8 Å²	62.8	60%	0.604	36%	0.355	S	S	*	.			trans	48.7	40.7	-167.8	-58.6	-44.1	0	0	0	109.7	P223	P223-N225 PolarHBondContact O-N 3.17Å
226	K	78.8	Confident	80.9	Confident	79 Å²	79	66.5 Å²	66.5	34%	0.343	37%	0.372	S	S	.	.			trans	-134.2	135.9	-178.5	-70.3	-50.7	159.5	-68.7	0	109.5	S191 S224 Y245 D246	S191-K226 VanDerWaalsContact CA-O 3.29Å; S191-K226 WeakPolarHBondContact CA-O 3.42Å; S191-K226 WeakPolarHBondContact CB-O 3.37Å; S224-K226 WeakPolarHBondContact O-CG 3.46Å; S224-K226 PolarHBondContact O-N 2.78Å; S224-K226 PolarHBondContact O-NZ 3.48Å; S224-K226 VanDerWaalsContact O-NZ 3.14Å; S224-K226 PolarHBondContact OG-N 2.9Å; S224-K226 VanDerWaalsContact OG-N 3.16Å; S224-K226 PolarHBondContact OG-O 3.41Å; K226-Y245 HydrophobicContact CD-CD1 4.08Å; K226-D246 HydrophobicContact CB-CB 4.11Å; K226-D246 HydrophobicContact CG-CB 3.91Å
227	D	86.1	Confident	82.3	Confident	36 Å²	36	56.4 Å²	56.4	19%	0.193	33%	0.334	C	S	.	.			trans	-55.7	142	-173.4	-50	30.3	0	0	0	111.2	F173 T229 S244 Y245	F173-D227 HydrophobicContact CE2-CB 4.04Å; F173-D227 WeakPolarHBondContact CE2-OD2 3.44Å; D227-T229 HydrophobicContact CB-CG2 4.3Å; D227-T229 PolarHBondContact O-N 2.81Å; D227-S244 CarbonylContact O-C 3.57Å; D227-S244 WeakPolarHBondContact O-CA 3.19Å; D227-S244 WeakPolarHBondContact O-CB 3.29Å; D227-Y245 PolarHBondContact O-N 2.64Å
228	V	93.7	Very high	84	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	107.5	163.5	-175.3	0	0	0	0	107.3	I174 S188 T192 A193 T242	I174-V228 HydrophobicContact CD1-CG1 4.38Å; S188-V228 PolarHBondContact O-N 3.38Å; T192-V228 WeakPolarHBondContact O-CG2 3.19Å; A193-V228 HydrophobicContact CB-CG1 4.5Å; V228-T242 HydrophobicContact CG1-CG2 4.4Å
229	T	92.9	Very high	85.6	Confident	28 Å²	28	51.2 Å²	51.2	17%	0.172	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-25.8	-169.2	54.8	0	0	0	0	113.1	D227 G243 Y245 I269	D227-T229 HydrophobicContact CB-CG2 4.3Å; D227-T229 PolarHBondContact O-N 2.81Å; T229-G243 PolarHBondContact N-O 3.23Å; T229-G243 PolarHBondContact OG1-O 3.47Å; T229-G243 VanDerWaalsContact OG1-O 3.12Å; T229-Y245 HydrophobicContact CG2-CD2 3.96Å; T229-I269 VanDerWaalsContact CB-O 3.23Å; T229-I269 WeakPolarHBondContact CB-O 3.47Å; T229-I269 PolarHBondContact OG1-O 3.43Å
230	S	96.1	Very high	87.1	Confident	10 Å²	10	47.8 Å²	47.8	7%	0.07	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	149.4	-179.2	45.2	0	0	0	0	111.1	T242 G243 L272	S230-T242 WeakPolarHBondContact O-CA 3.29Å; S230-G243 PolarHBondContact N-O 3.17Å; S230-G243 PolarHBondContact O-N 2.73Å; S230-L272 WeakPolarHBondContact O-CD2 3.18Å; S230-L272 WeakPolarHBondContact OG-CD2 3.38Å
231	L	98.2	Very high	88.7	Confident	13 Å²	13	40.9 Å²	40.9	7%	0.068	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150.8	175.6	66.5	82.2	0	0	0	110.9	I174 A176 A185 S186 L240 A241 T242	I174-L231 HydrophobicContact CB-CD2 4.49Å; I174-L231 HydrophobicContact CB-CG 4.45Å; I174-L231 HydrophobicContact CD1-CB 3.96Å; I174-L231 HydrophobicContact CD1-CD2 3.67Å; I174-L231 HydrophobicContact CD1-CG 3.57Å; I174-L231 HydrophobicContact CG1-CD2 3.67Å; I174-L231 HydrophobicContact CG1-CG 3.92Å; A176-L231 HydrophobicContact CB-CD1 3.49Å; A176-L231 VanDerWaalsContact CB-CD1 3.49Å; A185-L231 HydrophobicContact CB-CD1 4.01Å; A185-L231 HydrophobicContact CB-CD2 4.27Å; S186-L231 VanDerWaalsContact C-CD2 3.48Å; L231-L240 HydrophobicContact CB-CD1 4.25Å; L231-L240 HydrophobicContact CD1-CD1 4.16Å; L231-A241 CarbonylContact C-O 3.57Å; L231-A241 WeakPolarHBondContact CA-O 3.17Å; L231-T242 HydrophobicContact CB-CG2 4.14Å
232	D	98.7	Very high	90.2	Very high	25 Å²	25	35.9 Å²	35.9	13%	0.134	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	133.7	179.3	-158.8	55.7	0	0	0	110.8	A241 L272 K273 W274	D232-A241 PolarHBondContact N-O 3.26Å; D232-A241 PolarHBondContact O-N 2.83Å; D232-L272 HydrophobicContact CB-CD1 3.68Å; D232-K273 HydrophobicContact CB-CD 4.45Å; D232-K273 WeakPolarHBondContact OD1-CD 3.22Å; D232-K273 IonicContact OD1-NZ 3.42Å; D232-K273 PolarHBondContact OD1-NZ 2.8Å; D232-K273 WeakPolarHBondContact OD2-CA 3.46Å; D232-W274 PolarHBondContact O-NE1 3.47Å; D232-W274 PolarHBondContact OD2-N 2.81Å
233	W	98.7	Very high	91.6	Very high	17 Å²	17	33.5 Å²	33.5	6%	0.064	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	141.5	172.8	-72	102.5	0	0	0	110.3	A176 W177 N178 A185 I195 L240 K254 W274	A176-W233 PolarHBondContact O-NE1 2.97Å; W177-W233 VanDerWaalsContact O-CD1 3.31Å; N178-W233 HydrophobicContact CB-CD2 4.2Å; N178-W233 HydrophobicContact CB-CZ2 4.13Å; N178-W233 VanDerWaalsContact ND2-CE3 3.28Å; N178-W233 VanDerWaalsContact ND2-CZ3 3.28Å; N178-W233 WeakPolarHBondContact ND2-CZ3 3.1Å; A185-W233 HydrophobicContact CB-CZ2 3.84Å; I195-W233 HydrophobicContact CD1-CH2 3.9Å; I195-W233 HydrophobicContact CD1-CZ2 4.45Å; I195-W233 HydrophobicContact CG1-CH2 4.29Å; I195-W233 HydrophobicContact CG1-CZ2 4.35Å; I195-W233 HydrophobicContact CG2-CH2 4.39Å; I195-W233 HydrophobicContact CG2-CZ2 4.4Å; W233-L240 HydrophobicContact CD2-CB 4.33Å; W233-L240 HydrophobicContact CD2-CD1 3.83Å; W233-L240 HydrophobicContact CE3-CB 3.96Å; W233-L240 HydrophobicContact CE3-CD1 4.33Å; W233-L240 HydrophobicContact CG-CD1 4.05Å; W233-L240 HydrophobicContact CH2-CB 4.25Å; W233-L240 HydrophobicContact CZ2-CD1 4.36Å; W233-L240 HydrophobicContact CZ3-CB 3.92Å; W233-K254 HydrophobicContact CH2-CB 4.16Å; W233-K254 HydrophobicContact CZ3-CB 3.89Å; W233-W274 VanDerWaalsContact C-CD1 3.43Å
234	N	98.3	Very high	92.9	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.043	16%	0.164	C	C	.	.			trans	-67.9	158.6	165.8	73.7	-17.8	0	0	0	110.5	P179 E236 G237 T238 L239 W274	P179-N234 WeakPolarHBondContact CG-O 3.19Å; N234-E236 PolarHBondContact O-N 2.76Å; N234-G237 PolarHBondContact O-N 2.69Å; N234-G237 WeakPolarHBondContact OD1-CA 3.42Å; N234-G237 PolarHBondContact OD1-N 2.99Å; N234-T238 PolarHBondContact ND2-OG1 2.85Å; N234-T238 PolarHBondContact OD1-N 3.16Å; N234-T238 PolarHBondContact OD1-OG1 2.86Å; N234-L239 PolarHBondContact N-O 3.04Å; N234-L239 PolarHBondContact OD1-N 2.85Å; N234-L239 PolarHBondContact OD1-O 3Å; N234-W274 HydrophobicContact CB-CD2 3.71Å; N234-W274 HydrophobicContact CB-CE3 4.03Å; N234-W274 HydrophobicContact CB-CG 4.01Å; N234-W274 HydrophobicContact CB-CH2 4.48Å; N234-W274 HydrophobicContact CB-CZ2 4.22Å; N234-W274 HydrophobicContact CB-CZ3 4.38Å
235	S	96.6	Very high	93.9	Very high	64 Å²	64	31.7 Å²	31.7	45%	0.448	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-28.7	-176.5	-54.9	0	0	0	0	114.5	P179 K276	P179-S235 WeakPolarHBondContact CG-O 3.31Å; S235-K276 PolarHBondContact OG-O 3.04Å
236	E	97.6	Very high	94.7	Very high	133 Å²	133	27.3 Å²	27.3	62%	0.621	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.1	178.9	-62.9	179.4	-173.2	0	0	113.3	V180 N234 T238	V180-E236 WeakPolarHBondContact CG2-O 3.3Å; N234-E236 PolarHBondContact O-N 2.76Å; E236-T238 HydrophobicContact CB-CG2 4.14Å; E236-T238 PolarHBondContact O-N 3.38Å
237	G	97.9	Very high	95.3	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	64.3	23.1	-177.3	0	0	0	0	0	114.1	N178 N234	N178-G237 VanDerWaalsContact ND2-CA 3.34Å; N178-G237 WeakPolarHBondContact ND2-CA 3.4Å; N178-G237 PolarHBondContact ND2-O 2.74Å; N234-G237 PolarHBondContact O-N 2.69Å; N234-G237 WeakPolarHBondContact OD1-CA 3.42Å; N234-G237 PolarHBondContact OD1-N 2.99Å
238	T	97.9	Very high	95.6	Very high	58 Å²	58	24 Å²	24	36%	0.356	13%	0.128	S	C	.	.	S	Bend	trans	-92.1	-28.8	179.5	50.7	0	0	0	0	112.2	N234 E236 K254	N234-T238 PolarHBondContact ND2-OG1 2.85Å; N234-T238 PolarHBondContact OD1-N 3.16Å; N234-T238 PolarHBondContact OD1-OG1 2.86Å; E236-T238 HydrophobicContact CB-CG2 4.14Å; E236-T238 PolarHBondContact O-N 3.38Å; T238-K254 PolarHBondContact O-N 3.24Å
239	L	98.2	Very high	95.7	Very high	47 Å²	47	24.1 Å²	24.1	25%	0.246	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.9	-176.3	-59.3	173.5	0	0	0	111	N234 I251 W252 T253 W274	N234-L239 PolarHBondContact N-O 3.04Å; N234-L239 PolarHBondContact OD1-N 2.85Å; N234-L239 PolarHBondContact OD1-O 3Å; L239-I251 HydrophobicContact CB-CG2 4.03Å; L239-I251 HydrophobicContact CD1-CG2 4.1Å; L239-I251 HydrophobicContact CD2-CG2 3.99Å; L239-I251 HydrophobicContact CG-CG2 4.26Å; L239-W252 CarbonylContact C-O 3.55Å; L239-W252 VanDerWaalsContact CA-O 3.24Å; L239-W252 WeakPolarHBondContact CA-O 3.49Å; L239-T253 HydrophobicContact CD2-CG2 4.44Å; L239-W274 HydrophobicContact CB-CH2 4.16Å; L239-W274 HydrophobicContact CB-CZ2 3.86Å; L239-W274 HydrophobicContact CD1-CH2 3.92Å; L239-W274 HydrophobicContact CD1-CZ2 4.46Å
240	L	98.6	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.7	171.9	179.2	69.8	0	0	0	108.1	A185 I195 L211 L231 W233 T242 I251 W252	A185-L240 HydrophobicContact CB-CD1 3.93Å; A185-L240 HydrophobicContact CB-CD2 3.92Å; I195-L240 HydrophobicContact CD1-CD2 4.48Å; I195-L240 HydrophobicContact CG1-CD2 4.39Å; L211-L240 HydrophobicContact CD2-CD2 4.06Å; L231-L240 HydrophobicContact CB-CD1 4.25Å; L231-L240 HydrophobicContact CD1-CD1 4.16Å; W233-L240 HydrophobicContact CD2-CB 4.33Å; W233-L240 HydrophobicContact CD2-CD1 3.83Å; W233-L240 HydrophobicContact CE3-CB 3.96Å; W233-L240 HydrophobicContact CE3-CD1 4.33Å; W233-L240 HydrophobicContact CG-CD1 4.05Å; W233-L240 HydrophobicContact CH2-CB 4.25Å; W233-L240 HydrophobicContact CZ2-CD1 4.36Å; W233-L240 HydrophobicContact CZ3-CB 3.92Å; L240-T242 HydrophobicContact CD2-CG2 4.15Å; L240-T242 HydrophobicContact CG-CG2 4.17Å; L240-I251 CarbonylContact O-C 3.52Å; L240-I251 WeakPolarHBondContact O-CA 3.49Å; L240-W252 HydrophobicContact CB-CB 4.39Å; L240-W252 PolarHBondContact N-O 2.9Å; L240-W252 PolarHBondContact O-N 3.34Å
241	A	98.4	Very high	95.9	Very high	2 Å²	2	22.6 Å²	22.6	2%	0.017	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	141.5	168.8	0	0	0	0	0	109.2	L231 D232 R250 L272 W274 I281	L231-A241 CarbonylContact C-O 3.57Å; L231-A241 WeakPolarHBondContact CA-O 3.17Å; D232-A241 PolarHBondContact N-O 3.26Å; D232-A241 PolarHBondContact O-N 2.83Å; A241-R250 CarbonylContact C-O 3.54Å; A241-R250 VanDerWaalsContact CA-O 3.26Å; A241-R250 WeakPolarHBondContact CA-O 3.19Å; A241-L272 HydrophobicContact CB-CD1 3.46Å; A241-L272 VanDerWaalsContact CB-CD1 3.46Å; A241-W274 HydrophobicContact CB-CZ2 3.99Å; A241-I281 HydrophobicContact CB-CD1 3.78Å; A241-I281 HydrophobicContact CB-CG1 4.28Å
242	T	98.2	Very high	95.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.4	174.6	66.3	0	0	0	0	110.7	A193 H213 V228 S230 L231 L240 A249 R250 W252	A193-T242 HydrophobicContact CB-CG2 4.15Å; H213-T242 PolarHBondContact CE1-OG1 2.75Å; H213-T242 WeakPolarHBondContact NE2-CB 3.32Å; H213-T242 PolarHBondContact NE2-OG1 2.85Å; V228-T242 HydrophobicContact CG1-CG2 4.4Å; S230-T242 WeakPolarHBondContact O-CA 3.29Å; L231-T242 HydrophobicContact CB-CG2 4.14Å; L240-T242 HydrophobicContact CD2-CG2 4.15Å; L240-T242 HydrophobicContact CG-CG2 4.17Å; T242-A249 CarbonylContact O-C 3.53Å; T242-A249 WeakPolarHBondContact O-CA 3.41Å; T242-R250 PolarHBondContact N-O 3.08Å; T242-R250 PolarHBondContact O-N 2.93Å; T242-W252 PolarHBondContact OG1-NE1 2.85Å
243	G	96.1	Very high	95.9	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	-125.4	142.9	177.3	0	0	0	0	0	107.1	T229 S230 L272	T229-G243 PolarHBondContact N-O 3.23Å; T229-G243 PolarHBondContact OG1-O 3.47Å; T229-G243 VanDerWaalsContact OG1-O 3.12Å; S230-G243 PolarHBondContact N-O 3.17Å; S230-G243 PolarHBondContact O-N 2.73Å; G243-L272 VanDerWaalsContact CA-CD2 3.49Å
244	S	93.3	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	166	-175.1	44	0	0	0	0	112.4	D227 D246 G247 F248 R250 I269	D227-S244 CarbonylContact O-C 3.57Å; D227-S244 WeakPolarHBondContact O-CA 3.19Å; D227-S244 WeakPolarHBondContact O-CB 3.29Å; S244-D246 WeakPolarHBondContact CB-OD1 3.36Å; S244-D246 PolarHBondContact O-N 3.18Å; S244-D246 PolarHBondContact OG-OD1 3.23Å; S244-G247 WeakPolarHBondContact O-CA 3.36Å; S244-G247 PolarHBondContact O-N 2.98Å; S244-F248 PolarHBondContact N-O 3.01Å; S244-F248 PolarHBondContact OG-O 2.85Å; S244-R250 PolarHBondContact OG-NH1 3.01Å; S244-I269 PolarHBondContact O-N 3.12Å
245	Y	88	Confident	95.6	Very high	32 Å²	32	29.9 Å²	29.9	13%	0.125	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-22.2	-177.7	-154.4	-92.6	0	0	0	113.5	S22 H23 K226 D227 T229 G247 P268	S22-Y245 VanDerWaalsContact C-OH 3.25Å; S22-Y245 WeakPolarHBondContact CB-OH 3.14Å; H23-Y245 VanDerWaalsContact CA-OH 3.23Å; H23-Y245 WeakPolarHBondContact CA-OH 3.43Å; H23-Y245 WeakPolarHBondContact CB-OH 3.46Å; H23-Y245 AromaticContact CD2-CE1 3.9Å; H23-Y245 AromaticContact CD2-CZ 3.48Å; H23-Y245 VanDerWaalsContact CD2-CZ 3.48Å; H23-Y245 PolarHBondContact CD2-OH 3.2Å; H23-Y245 AromaticContact CE1-CE1 3.23Å; H23-Y245 WeakPolarHBondContact CE1-CE1 3.47Å; H23-Y245 AromaticContact CE1-CZ 3.67Å; H23-Y245 AromaticContact CG-CZ 3.77Å; H23-Y245 PolarHBondContact N-OH 3.4Å; H23-Y245 AromaticContact ND1-CE1 3.67Å; H23-Y245 AromaticContact ND1-CZ 3.88Å; H23-Y245 PolarHBondContact ND1-OH 3.42Å; H23-Y245 AromaticContact NE2-CE1 3.39Å; H23-Y245 WeakPolarHBondContact NE2-CE1 3.23Å; H23-Y245 AromaticContact NE2-CZ 3.44Å; H23-Y245 PolarHBondContact NE2-OH 2.58Å; K226-Y245 HydrophobicContact CD-CD1 4.08Å; D227-Y245 PolarHBondContact O-N 2.64Å; T229-Y245 HydrophobicContact CG2-CD2 3.96Å; Y245-G247 PolarHBondContact O-N 3.18Å; Y245-P268 HydrophobicContact CD1-CG 3.75Å; Y245-P268 HydrophobicContact CD2-CB 3.89Å; Y245-P268 HydrophobicContact CD2-CG 3.56Å; Y245-P268 HydrophobicContact CE1-CG 3.79Å; Y245-P268 HydrophobicContact CE2-CB 4.15Å; Y245-P268 HydrophobicContact CE2-CG 3.55Å; Y245-P268 HydrophobicContact CG-CB 4.21Å; Y245-P268 HydrophobicContact CG-CG 3.66Å; Y245-P268 WeakPolarHBondContact O-CA 3.41Å; Y245-P268 WeakPolarHBondContact O-CD 3.31Å; Y245-P268 WeakPolarHBondContact O-CG 3.28Å
246	D	85.9	Confident	95.5	Very high	22 Å²	22	27.7 Å²	27.7	12%	0.118	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.3	170.4	60.1	11	0	0	0	113.4	S224 K226 S244 F248 R250 Q264	S224-D246 WeakPolarHBondContact CB-OD2 3.3Å; K226-D246 HydrophobicContact CB-CB 4.11Å; K226-D246 HydrophobicContact CG-CB 3.91Å; S244-D246 WeakPolarHBondContact CB-OD1 3.36Å; S244-D246 PolarHBondContact O-N 3.18Å; S244-D246 PolarHBondContact OG-OD1 3.23Å; D246-F248 HydrophobicContact CB-CD2 4.09Å; D246-F248 WeakPolarHBondContact OD1-CB 3.46Å; D246-F248 PolarHBondContact OD1-N 2.85Å; D246-R250 IonicContact OD1-NH1 3.06Å; D246-R250 IonicContact OD2-CZ 2.97Å; D246-R250 IonicContact OD2-NH1 3.77Å; D246-R250 IonicContact OD2-NH2 3.63Å; D246-R250 PolarHBondContact OD2-NH2 2.98Å; D246-Q264 PolarHBondContact O-NE2 3.2Å
247	G	91	Very high	95.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	85.8	-1.8	-179.2	0	0	0	0	0	115	S244 Y245 Q264 H265 G267 I269	S244-G247 WeakPolarHBondContact O-CA 3.36Å; S244-G247 PolarHBondContact O-N 2.98Å; Y245-G247 PolarHBondContact O-N 3.18Å; G247-Q264 CarbonylContact O-C 3.6Å; G247-Q264 VanDerWaalsContact O-CA 3.29Å; G247-Q264 WeakPolarHBondContact O-CA 3.31Å; G247-H265 PolarHBondContact O-N 3.15Å; G247-G267 WeakPolarHBondContact CA-O 3.44Å; G247-I269 WeakPolarHBondContact O-CD1 3.38Å
248	F	94	Very high	95.3	Very high	45 Å²	45	30.2 Å²	30.2	20%	0.197	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.1	-178.5	-76.4	-79.1	0	0	0	112.5	I215 S244 D246 R250 T261 G263 Q264	I215-F248 HydrophobicContact CG2-CD2 4.23Å; I215-F248 HydrophobicContact CG2-CE2 3.98Å; S244-F248 PolarHBondContact N-O 3.01Å; S244-F248 PolarHBondContact OG-O 2.85Å; D246-F248 HydrophobicContact CB-CD2 4.09Å; D246-F248 WeakPolarHBondContact OD1-CB 3.46Å; D246-F248 PolarHBondContact OD1-N 2.85Å; F248-R250 VanDerWaalsContact CB-NH1 3.26Å; F248-T261 HydrophobicContact CB-CG2 4.49Å; F248-T261 HydrophobicContact CD1-CG2 3.55Å; F248-T261 HydrophobicContact CE1-CG2 4.15Å; F248-T261 HydrophobicContact CG-CG2 4.32Å; F248-G263 WeakPolarHBondContact CA-O 3.21Å; F248-G263 WeakPolarHBondContact CD1-O 3.48Å; F248-Q264 HydrophobicContact CD1-CB 3.92Å; F248-Q264 HydrophobicContact CD1-CG 4.01Å; F248-Q264 HydrophobicContact CD2-CG 3.92Å; F248-Q264 HydrophobicContact CE1-CB 3.78Å; F248-Q264 HydrophobicContact CE1-CG 3.93Å; F248-Q264 VanDerWaalsContact CE2-CD 3.48Å; F248-Q264 HydrophobicContact CE2-CG 3.85Å; F248-Q264 HydrophobicContact CG-CB 4.39Å; F248-Q264 HydrophobicContact CG-CG 4.01Å; F248-Q264 HydrophobicContact CZ-CB 4.13Å; F248-Q264 VanDerWaalsContact CZ-CD 3.49Å; F248-Q264 HydrophobicContact CZ-CG 3.85Å
249	A	95.6	Very high	95.1	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.6	164.7	0	0	0	0	0	109.8	T242 L262 G263 I269	T242-A249 CarbonylContact O-C 3.53Å; T242-A249 WeakPolarHBondContact O-CA 3.41Å; A249-L262 HydrophobicContact CB-CB 4.26Å; A249-L262 HydrophobicContact CB-CD1 3.97Å; A249-L262 HydrophobicContact CB-CG 4.38Å; A249-L262 PolarHBondContact O-N 3.33Å; A249-G263 PolarHBondContact N-O 3.37Å; A249-I269 HydrophobicContact CB-CD1 3.88Å
250	R	95.8	Very high	94.8	Very high	3 Å²	3	29.9 Å²	29.9	1%	0.011	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	148.5	-177.9	-65.5	179	-176.4	79.9	-5.7	110.6	C214 A241 T242 S244 D246 F248 W252 L258 S260 T261	C214-R250 PolarHBondContact O-NH2 3.3Å; A241-R250 CarbonylContact C-O 3.54Å; A241-R250 VanDerWaalsContact CA-O 3.26Å; A241-R250 WeakPolarHBondContact CA-O 3.19Å; T242-R250 PolarHBondContact N-O 3.08Å; T242-R250 PolarHBondContact O-N 2.93Å; S244-R250 PolarHBondContact OG-NH1 3.01Å; D246-R250 IonicContact OD1-NH1 3.06Å; D246-R250 IonicContact OD2-CZ 2.97Å; D246-R250 IonicContact OD2-NH1 3.77Å; D246-R250 IonicContact OD2-NH2 3.63Å; D246-R250 PolarHBondContact OD2-NH2 2.98Å; F248-R250 VanDerWaalsContact CB-NH1 3.26Å; R250-W252 HydrophobicContact CB-CZ2 4.31Å; R250-L258 HydrophobicContact CB-CD1 3.84Å; R250-L258 HydrophobicContact CG-CD1 4.12Å; R250-S260 CarbonylContact C-O 3.6Å; R250-S260 WeakPolarHBondContact CA-O 3.42Å; R250-T261 HydrophobicContact CG-CG2 4.26Å
251	I	97.4	Very high	94.5	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.2	171.6	-59.4	-179.2	0	0	0	108.2	L239 L240 A259 S260 L262 W274 I281 A295	L239-I251 HydrophobicContact CB-CG2 4.03Å; L239-I251 HydrophobicContact CD1-CG2 4.1Å; L239-I251 HydrophobicContact CD2-CG2 3.99Å; L239-I251 HydrophobicContact CG-CG2 4.26Å; L240-I251 CarbonylContact O-C 3.52Å; L240-I251 WeakPolarHBondContact O-CA 3.49Å; I251-A259 HydrophobicContact CG2-CB 4.23Å; I251-A259 WeakPolarHBondContact O-CA 3.32Å; I251-A259 WeakPolarHBondContact O-CB 3.18Å; I251-A259 PolarHBondContact O-N 3.36Å; I251-S260 PolarHBondContact N-O 2.9Å; I251-S260 PolarHBondContact O-N 2.94Å; I251-S260 VanDerWaalsContact O-N 3.14Å; I251-L262 HydrophobicContact CD1-CD1 4.23Å; I251-L262 HydrophobicContact CD1-CD2 3.64Å; I251-L262 HydrophobicContact CD1-CG 4.36Å; I251-L262 HydrophobicContact CG1-CD1 4.1Å; I251-L262 HydrophobicContact CG1-CD2 3.97Å; I251-L262 HydrophobicContact CG1-CG 4.22Å; I251-W274 HydrophobicContact CD1-CH2 3.93Å; I251-W274 HydrophobicContact CD1-CZ2 4.37Å; I251-W274 HydrophobicContact CG1-CH2 4.46Å; I251-W274 HydrophobicContact CG1-CZ2 4.4Å; I251-W274 HydrophobicContact CG2-CH2 4.38Å; I251-W274 HydrophobicContact CG2-CZ2 4.26Å; I251-I281 HydrophobicContact CD1-CD1 3.55Å; I251-I281 HydrophobicContact CG1-CD1 3.63Å; I251-A295 HydrophobicContact CD1-CB 4.06Å
252	W	97.9	Very high	94.1	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.042	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.5	178.8	-50.9	82.3	0	0	0	109.9	L211 R212 H213 L239 L240 T242 R250 N257 L258	L211-W252 HydrophobicContact CB-CD2 4.09Å; L211-W252 HydrophobicContact CB-CE3 3.79Å; L211-W252 HydrophobicContact CB-CH2 4.06Å; L211-W252 HydrophobicContact CB-CZ2 4.31Å; L211-W252 HydrophobicContact CB-CZ3 3.77Å; L211-W252 HydrophobicContact CD2-CB 3.69Å; L211-W252 HydrophobicContact CD2-CD2 3.59Å; L211-W252 HydrophobicContact CD2-CE3 3.77Å; L211-W252 HydrophobicContact CD2-CG 3.55Å; L211-W252 HydrophobicContact CG-CD2 3.95Å; L211-W252 HydrophobicContact CG-CE3 3.61Å; L211-W252 HydrophobicContact CG-CG 4.4Å; L211-W252 HydrophobicContact CG-CZ3 4.05Å; R212-W252 WeakPolarHBondContact O-CH2 3.18Å; H213-W252 AromaticContact CE1-CE2 3.93Å; H213-W252 AromaticContact CE1-CZ2 3.51Å; H213-W252 AromaticContact CE1-NE1 3.96Å; H213-W252 AromaticContact ND1-CZ2 3.65Å; H213-W252 AromaticContact NE2-CZ2 3.96Å; L239-W252 CarbonylContact C-O 3.55Å; L239-W252 VanDerWaalsContact CA-O 3.24Å; L239-W252 WeakPolarHBondContact CA-O 3.49Å; L240-W252 HydrophobicContact CB-CB 4.39Å; L240-W252 PolarHBondContact N-O 2.9Å; L240-W252 PolarHBondContact O-N 3.34Å; T242-W252 PolarHBondContact OG1-NE1 2.85Å; R250-W252 HydrophobicContact CB-CZ2 4.31Å; W252-N257 CarbonylContact C-O 3.48Å; W252-N257 VanDerWaalsContact CA-O 3.24Å; W252-N257 WeakPolarHBondContact CA-O 3.5Å; W252-L258 HydrophobicContact CD2-CB 4.49Å; W252-L258 HydrophobicContact CD2-CD1 3.98Å; W252-L258 HydrophobicContact CE3-CB 3.82Å; W252-L258 HydrophobicContact CE3-CD1 4.12Å; W252-L258 HydrophobicContact CH2-CB 4.24Å; W252-L258 HydrophobicContact CH2-CD1 4.05Å; W252-L258 HydrophobicContact CZ2-CD1 3.93Å; W252-L258 HydrophobicContact CZ3-CB 3.68Å; W252-L258 HydrophobicContact CZ3-CD1 4.16Å; W252-L258 HydrophobicContact CZ3-CG 4.43Å
253	T	97.5	Very high	93.4	Very high	33 Å²	33	34.4 Å²	34.4	20%	0.202	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	157.4	166.8	75.8	0	0	0	0	110	L239 D255 G256 N257 A259	L239-T253 HydrophobicContact CD2-CG2 4.44Å; T253-D255 PolarHBondContact O-N 3.06Å; T253-D255 VanDerWaalsContact O-N 3.07Å; T253-D255 PolarHBondContact OG1-N 2.92Å; T253-G256 PolarHBondContact O-N 3.09Å; T253-N257 HydrophobicContact CG2-CB 4.35Å; T253-N257 PolarHBondContact N-O 2.98Å; T253-N257 PolarHBondContact OG1-N 3.27Å; T253-A259 HydrophobicContact CG2-CB 4.23Å
254	K	96.6	Very high	93.1	Very high	66 Å²	66	39.6 Å²	39.6	29%	0.287	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-18.8	172.5	67.4	176.2	-69.6	168	0	114.3	W233 T238 G256	W233-K254 HydrophobicContact CH2-CB 4.16Å; W233-K254 HydrophobicContact CZ3-CB 3.89Å; T238-K254 PolarHBondContact O-N 3.24Å; K254-G256 VanDerWaalsContact C-N 3.28Å
255	D	95.4	Very high	93.1	Very high	106 Å²	106	39.7 Å²	39.7	57%	0.567	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	6.1	175.8	-49.3	-57	0	0	0	112.8	L209 T253	L209-D255 VanDerWaalsContact CD1-C 3.48Å; T253-D255 PolarHBondContact O-N 3.06Å; T253-D255 VanDerWaalsContact O-N 3.07Å; T253-D255 PolarHBondContact OG1-N 2.92Å
256	G	95.2	Very high	93.3	Very high	17 Å²	17	46.9 Å²	46.9	18%	0.175	26%	0.256	C	S	.	.	S	Bend	trans	86	10.5	172.8	0	0	0	0	0	115.4	T253 K254	T253-G256 PolarHBondContact O-N 3.09Å; K254-G256 VanDerWaalsContact C-N 3.28Å
257	N	95.3	Very high	93.4	Very high	103 Å²	103	47 Å²	47	55%	0.551	26%	0.263	S	S	*	.			trans	-88.1	136.6	177.7	-62	-61.9	0	0	0	111	W252 T253 A259	W252-N257 CarbonylContact C-O 3.48Å; W252-N257 VanDerWaalsContact CA-O 3.24Å; W252-N257 WeakPolarHBondContact CA-O 3.5Å; T253-N257 HydrophobicContact CG2-CB 4.35Å; T253-N257 PolarHBondContact N-O 2.98Å; T253-N257 PolarHBondContact OG1-N 3.27Å; N257-A259 PolarHBondContact O-N 3.23Å
258	L	94.5	Very high	93.4	Very high	83 Å²	83	47 Å²	47	44%	0.435	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	111.6	171.6	-178.5	62.9	0	0	0	109.5	R250 W252	R250-L258 HydrophobicContact CB-CD1 3.84Å; R250-L258 HydrophobicContact CG-CD1 4.12Å; W252-L258 HydrophobicContact CD2-CB 4.49Å; W252-L258 HydrophobicContact CD2-CD1 3.98Å; W252-L258 HydrophobicContact CE3-CB 3.82Å; W252-L258 HydrophobicContact CE3-CD1 4.12Å; W252-L258 HydrophobicContact CH2-CB 4.24Å; W252-L258 HydrophobicContact CH2-CD1 4.05Å; W252-L258 HydrophobicContact CZ2-CD1 3.93Å; W252-L258 HydrophobicContact CZ3-CB 3.68Å; W252-L258 HydrophobicContact CZ3-CD1 4.16Å; W252-L258 HydrophobicContact CZ3-CG 4.43Å
259	A	93.7	Very high	93.4	Very high	63 Å²	63	44.9 Å²	44.9	52%	0.521	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-42.7	179.4	0	0	0	0	0	111.9	I251 T253 N257	I251-A259 HydrophobicContact CG2-CB 4.23Å; I251-A259 WeakPolarHBondContact O-CA 3.32Å; I251-A259 WeakPolarHBondContact O-CB 3.18Å; I251-A259 PolarHBondContact O-N 3.36Å; T253-A259 HydrophobicContact CG2-CB 4.23Å; N257-A259 PolarHBondContact O-N 3.23Å
260	S	92.6	Very high	93.3	Very high	36 Å²	36	48.3 Å²	48.3	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	151.7	-179.6	-173.5	0	0	0	0	112.3	R250 I251	R250-S260 CarbonylContact C-O 3.6Å; R250-S260 WeakPolarHBondContact CA-O 3.42Å; I251-S260 PolarHBondContact N-O 2.9Å; I251-S260 PolarHBondContact O-N 2.94Å; I251-S260 VanDerWaalsContact O-N 3.14Å
261	T	92.4	Very high	93.4	Very high	64 Å²	64	48.6 Å²	48.6	39%	0.393	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.7	165.1	-60.3	0	0	0	0	107	F248 R250	F248-T261 HydrophobicContact CB-CG2 4.49Å; F248-T261 HydrophobicContact CD1-CG2 3.55Å; F248-T261 HydrophobicContact CE1-CG2 4.15Å; F248-T261 HydrophobicContact CG-CG2 4.32Å; R250-T261 HydrophobicContact CG-CG2 4.26Å
262	L	88.8	Confident	93.4	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.058	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-31.8	-164.2	-53.6	177.7	0	0	0	113.6	A249 I251 I281 W293 G298	A249-L262 HydrophobicContact CB-CB 4.26Å; A249-L262 HydrophobicContact CB-CD1 3.97Å; A249-L262 HydrophobicContact CB-CG 4.38Å; A249-L262 PolarHBondContact O-N 3.33Å; I251-L262 HydrophobicContact CD1-CD1 4.23Å; I251-L262 HydrophobicContact CD1-CD2 3.64Å; I251-L262 HydrophobicContact CD1-CG 4.36Å; I251-L262 HydrophobicContact CG1-CD1 4.1Å; I251-L262 HydrophobicContact CG1-CD2 3.97Å; I251-L262 HydrophobicContact CG1-CG 4.22Å; L262-I281 HydrophobicContact CD1-CB 4.46Å; L262-I281 HydrophobicContact CD1-CD1 3.63Å; L262-W293 HydrophobicContact CB-CB 4.47Å; L262-W293 HydrophobicContact CB-CD2 3.9Å; L262-W293 HydrophobicContact CB-CE3 3.6Å; L262-W293 HydrophobicContact CB-CG 4.27Å; L262-W293 HydrophobicContact CB-CZ3 4.18Å; L262-W293 HydrophobicContact CD1-CB 3.76Å; L262-W293 HydrophobicContact CD1-CD2 4.29Å; L262-W293 HydrophobicContact CD1-CG 3.83Å; L262-W293 VanDerWaalsContact O-CZ3 3.29Å; L262-W293 WeakPolarHBondContact O-CZ3 3.35Å; L262-G298 CarbonylContact C-O 3.44Å; L262-G298 VanDerWaalsContact CA-O 3.24Å; L262-G298 WeakPolarHBondContact CA-O 3.27Å; L262-G298 VanDerWaalsContact CD2-CA 3.49Å
263	G	84	Confident	93.5	Very high	22 Å²	22	51.1 Å²	51.1	23%	0.227	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	147.7	-168.3	-173.5	0	0	0	0	0	110.2	F248 A249	F248-G263 WeakPolarHBondContact CA-O 3.21Å; F248-G263 WeakPolarHBondContact CD1-O 3.48Å; A249-G263 PolarHBondContact N-O 3.37Å
264	Q	90.6	Very high	93.5	Very high	109 Å²	109	50.2 Å²	50.2	51%	0.509	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	126.7	-166.1	-156.8	-172.2	-1.9	0	0	111.1	D246 G247 F248	D246-Q264 PolarHBondContact O-NE2 3.2Å; G247-Q264 CarbonylContact O-C 3.6Å; G247-Q264 VanDerWaalsContact O-CA 3.29Å; G247-Q264 WeakPolarHBondContact O-CA 3.31Å; F248-Q264 HydrophobicContact CD1-CB 3.92Å; F248-Q264 HydrophobicContact CD1-CG 4.01Å; F248-Q264 HydrophobicContact CD2-CG 3.92Å; F248-Q264 HydrophobicContact CE1-CB 3.78Å; F248-Q264 HydrophobicContact CE1-CG 3.93Å; F248-Q264 VanDerWaalsContact CE2-CD 3.48Å; F248-Q264 HydrophobicContact CE2-CG 3.85Å; F248-Q264 HydrophobicContact CG-CB 4.39Å; F248-Q264 HydrophobicContact CG-CG 4.01Å; F248-Q264 HydrophobicContact CZ-CB 4.13Å; F248-Q264 VanDerWaalsContact CZ-CD 3.49Å; F248-Q264 HydrophobicContact CZ-CG 3.85Å
265	H	93.7	Very high	93.6	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	26%	0.262	C	S	.	.			trans	-70	159.1	159.3	-85.8	-93.2	0	0	0	110.7	G247 G267 I269 S283 D287 T289	G247-H265 PolarHBondContact O-N 3.15Å; H265-G267 VanDerWaalsContact C-N 3.27Å; H265-G267 WeakPolarHBondContact CB-O 3.3Å; H265-G267 PolarHBondContact O-N 3.02Å; H265-I269 HydrophobicContact CB-CG1 4.22Å; H265-S283 PolarHBondContact CD2-OG 2.97Å; H265-S283 PolarHBondContact NE2-OG 2.84Å; H265-D287 IonicContact CE1-OD1 3.08Å; H265-D287 IonicContact CG-OD2 3.58Å; H265-D287 IonicContact ND1-OD1 3.78Å; H265-D287 PolarHBondContact ND1-OD1 3.08Å; H265-D287 VanDerWaalsContact ND1-OD1 3.08Å; H265-D287 IonicContact ND1-OD2 3.63Å; H265-D287 PolarHBondContact ND1-OD2 3.16Å; H265-T289 PolarHBondContact CE1-O 2.92Å
266	K	91.1	Very high	93.7	Very high	182 Å²	182	50.3 Å²	50.3	79%	0.791	27%	0.271	S	S	*	.	S	Bend	trans	-80.4	76.7	172.8	-64.8	177.9	-177.8	175.1	0	110.4	D287	K266-D287 HydrophobicContact CB-CB 3.78Å; K266-D287 PolarHBondContact N-OD2 2.79Å
267	G	88.8	Confident	93.8	Very high	25 Å²	25	56.5 Å²	56.5	26%	0.258	29%	0.293	S	S	.	.	S	Bend	trans	104.9	-170.2	-174.5	0	0	0	0	0	112.1	G247 H265	G247-G267 WeakPolarHBondContact CA-O 3.44Å; H265-G267 VanDerWaalsContact C-N 3.27Å; H265-G267 WeakPolarHBondContact CB-O 3.3Å; H265-G267 PolarHBondContact O-N 3.02Å
268	P	90	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.			trans	-51.4	141.4	-171.4	-31.3	33.1	0	0	0	115.5	H23 Y245 F270 G285 V286	H23-P268 WeakPolarHBondContact NE2-CD 3.47Å; H23-P268 WeakPolarHBondContact NE2-CG 3.19Å; Y245-P268 HydrophobicContact CD1-CG 3.75Å; Y245-P268 HydrophobicContact CD2-CB 3.89Å; Y245-P268 HydrophobicContact CD2-CG 3.56Å; Y245-P268 HydrophobicContact CE1-CG 3.79Å; Y245-P268 HydrophobicContact CE2-CB 4.15Å; Y245-P268 HydrophobicContact CE2-CG 3.55Å; Y245-P268 HydrophobicContact CG-CB 4.21Å; Y245-P268 HydrophobicContact CG-CG 3.66Å; Y245-P268 WeakPolarHBondContact O-CA 3.41Å; Y245-P268 WeakPolarHBondContact O-CD 3.31Å; Y245-P268 WeakPolarHBondContact O-CG 3.28Å; P268-F270 HydrophobicContact CB-CD1 4.28Å; P268-F270 HydrophobicContact CB-CE1 3.91Å; P268-G285 VanDerWaalsContact O-CA 3.32Å; P268-G285 WeakPolarHBondContact O-CA 3.34Å; P268-V286 PolarHBondContact O-N 3.12Å
269	I	95.1	Very high	94.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	130.2	159.7	-64.6	177	0	0	0	107.6	T229 S244 G247 A249 H265 A271 L272 A284	T229-I269 VanDerWaalsContact CB-O 3.23Å; T229-I269 WeakPolarHBondContact CB-O 3.47Å; T229-I269 PolarHBondContact OG1-O 3.43Å; S244-I269 PolarHBondContact O-N 3.12Å; G247-I269 WeakPolarHBondContact O-CD1 3.38Å; A249-I269 HydrophobicContact CB-CD1 3.88Å; H265-I269 HydrophobicContact CB-CG1 4.22Å; I269-A271 WeakPolarHBondContact CG2-O 3.41Å; I269-L272 HydrophobicContact CG2-CB 4.5Å; I269-A284 CarbonylContact C-O 3.46Å; I269-A284 WeakPolarHBondContact CA-O 3.37Å
270	F	93.9	Very high	94.3	Very high	74 Å²	74	47.2 Å²	47.2	33%	0.325	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-35.4	176.2	-66.7	-37.5	0	0	0	112.9	P268 A284 V286 P310 A311 L312	P268-F270 HydrophobicContact CB-CD1 4.28Å; P268-F270 HydrophobicContact CB-CE1 3.91Å; F270-A284 PolarHBondContact N-O 2.59Å; F270-V286 HydrophobicContact CE2-CB 3.88Å; F270-V286 HydrophobicContact CE2-CG2 4.04Å; F270-V286 HydrophobicContact CZ-CB 3.87Å; F270-V286 HydrophobicContact CZ-CG2 3.9Å; F270-P310 HydrophobicContact CE2-CB 3.85Å; F270-A311 WeakPolarHBondContact CD2-O 3.04Å; F270-L312 WeakPolarHBondContact CB-O 3.37Å; F270-L312 HydrophobicContact CD2-CD2 3.71Å; F270-L312 HydrophobicContact CE2-CD2 3.83Å
271	A	97.3	Very high	94.6	Very high	9 Å²	9	45.5 Å²	45.5	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	147.9	177.5	0	0	0	0	0	111	I269 S283 A284 V314	I269-A271 WeakPolarHBondContact CG2-O 3.41Å; A271-S283 CarbonylContact O-C 3.59Å; A271-S283 VanDerWaalsContact O-CA 3.24Å; A271-S283 WeakPolarHBondContact O-CA 3.32Å; A271-A284 HydrophobicContact CB-CB 4.32Å; A271-A284 PolarHBondContact O-N 3.02Å; A271-V314 HydrophobicContact CB-CG2 3.84Å
272	L	97.9	Very high	94.9	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	143.4	168	77.7	93.9	0	0	0	111.2	S230 D232 A241 G243 I269 I281 L282	S230-L272 WeakPolarHBondContact O-CD2 3.18Å; S230-L272 WeakPolarHBondContact OG-CD2 3.38Å; D232-L272 HydrophobicContact CB-CD1 3.68Å; A241-L272 HydrophobicContact CB-CD1 3.46Å; A241-L272 VanDerWaalsContact CB-CD1 3.46Å; G243-L272 VanDerWaalsContact CA-CD2 3.49Å; I269-L272 HydrophobicContact CG2-CB 4.5Å; L272-I281 HydrophobicContact CD1-CG2 4.39Å; L272-L282 CarbonylContact C-O 3.55Å; L272-L282 WeakPolarHBondContact CA-O 3.47Å
273	K	98.7	Very high	95.3	Very high	66 Å²	66	42 Å²	42	29%	0.287	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.5	-179.8	-70.4	-66.1	171.2	-175.4	0	112.6	D232 L282 W316	D232-K273 HydrophobicContact CB-CD 4.45Å; D232-K273 WeakPolarHBondContact OD1-CD 3.22Å; D232-K273 IonicContact OD1-NZ 3.42Å; D232-K273 PolarHBondContact OD1-NZ 2.8Å; D232-K273 WeakPolarHBondContact OD2-CA 3.46Å; K273-L282 PolarHBondContact N-O 3.47Å; K273-L282 PolarHBondContact O-N 2.79Å; K273-W316 PolarHBondContact O-NE1 2.93Å
274	W	98.7	Very high	96	Very high	14 Å²	14	40.9 Å²	40.9	5%	0.053	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	142.3	164.2	-71.4	93.8	0	0	0	110.1	D232 W233 N234 L239 A241 I251 G278 I281 A295 W316	D232-W274 PolarHBondContact O-NE1 3.47Å; D232-W274 PolarHBondContact OD2-N 2.81Å; W233-W274 VanDerWaalsContact C-CD1 3.43Å; N234-W274 HydrophobicContact CB-CD2 3.71Å; N234-W274 HydrophobicContact CB-CE3 4.03Å; N234-W274 HydrophobicContact CB-CG 4.01Å; N234-W274 HydrophobicContact CB-CH2 4.48Å; N234-W274 HydrophobicContact CB-CZ2 4.22Å; N234-W274 HydrophobicContact CB-CZ3 4.38Å; L239-W274 HydrophobicContact CB-CH2 4.16Å; L239-W274 HydrophobicContact CB-CZ2 3.86Å; L239-W274 HydrophobicContact CD1-CH2 3.92Å; L239-W274 HydrophobicContact CD1-CZ2 4.46Å; A241-W274 HydrophobicContact CB-CZ2 3.99Å; I251-W274 HydrophobicContact CD1-CH2 3.93Å; I251-W274 HydrophobicContact CD1-CZ2 4.37Å; I251-W274 HydrophobicContact CG1-CH2 4.46Å; I251-W274 HydrophobicContact CG1-CZ2 4.4Å; I251-W274 HydrophobicContact CG2-CH2 4.38Å; I251-W274 HydrophobicContact CG2-CZ2 4.26Å; W274-G278 VanDerWaalsContact CZ3-O 3.28Å; W274-G278 WeakPolarHBondContact CZ3-O 3.32Å; W274-I281 HydrophobicContact CD2-CD1 4.23Å; W274-I281 HydrophobicContact CD2-CG1 3.63Å; W274-I281 HydrophobicContact CE3-CD1 4.23Å; W274-I281 HydrophobicContact CE3-CG1 3.6Å; W274-I281 HydrophobicContact CG-CG1 4.3Å; W274-I281 HydrophobicContact CH2-CD1 3.7Å; W274-I281 HydrophobicContact CH2-CG1 4.02Å; W274-I281 HydrophobicContact CZ2-CD1 3.66Å; W274-I281 HydrophobicContact CZ2-CG1 4.02Å; W274-I281 HydrophobicContact CZ3-CD1 3.99Å; W274-I281 HydrophobicContact CZ3-CG1 3.81Å; W274-A295 HydrophobicContact CE3-CB 4.42Å; W274-A295 HydrophobicContact CH2-CB 3.79Å; W274-A295 HydrophobicContact CZ3-CB 3.37Å; W274-W316 VanDerWaalsContact O-CD1 3.25Å; W274-W316 PolarHBondContact O-NE1 3.06Å
275	N	98.6	Very high	96.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.17	C	C	.	.			trans	-72.5	158.5	163.7	78.8	-15.8	0	0	0	110	K277 G278 N279 F280 W316 N319	N275-K277 PolarHBondContact O-N 2.89Å; N275-K277 VanDerWaalsContact O-N 3.11Å; N275-G278 PolarHBondContact O-N 2.92Å; N275-G278 PolarHBondContact OD1-N 3.29Å; N275-N279 PolarHBondContact ND2-OD1 2.86Å; N275-N279 PolarHBondContact OD1-N 2.85Å; N275-N279 PolarHBondContact OD1-OD1 2.85Å; N275-F280 HydrophobicContact CB-CB 4.39Å; N275-F280 PolarHBondContact N-O 2.82Å; N275-F280 WeakPolarHBondContact ND2-CD2 3.12Å; N275-F280 PolarHBondContact OD1-N 3.26Å; N275-F280 VanDerWaalsContact OD1-N 3.1Å; N275-F280 PolarHBondContact OD1-O 2.91Å; N275-W316 HydrophobicContact CB-CD2 3.81Å; N275-W316 HydrophobicContact CB-CE3 4.26Å; N275-W316 HydrophobicContact CB-CG 4.2Å; N275-W316 HydrophobicContact CB-CH2 4.25Å; N275-W316 HydrophobicContact CB-CZ2 3.79Å; N275-W316 HydrophobicContact CB-CZ3 4.48Å; N275-N319 PolarHBondContact ND2-O 3.22Å; N275-N319 VanDerWaalsContact ND2-O 3.09Å
276	K	97.1	Very high	96.3	Very high	172 Å²	172	37.5 Å²	37.5	75%	0.748	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.9	-176.6	-176.4	171.6	-176.4	168.7	0	113.7	S235 G278 N319	S235-K276 PolarHBondContact OG-O 3.04Å; K276-G278 VanDerWaalsContact C-N 3.28Å; K276-G278 PolarHBondContact O-N 2.82Å; K276-N319 PolarHBondContact N-OD1 2.75Å
277	K	97.5	Very high	96.4	Very high	147 Å²	147	30.2 Å²	30.2	64%	0.639	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-15.2	178.7	-178.9	174.2	178.3	70.2	0	113.5	N275 N279 N319	N275-K277 PolarHBondContact O-N 2.89Å; N275-K277 VanDerWaalsContact O-N 3.11Å; K277-N279 VanDerWaalsContact C-N 3.29Å; K277-N279 VanDerWaalsContact CB-OD1 3.32Å; K277-N279 WeakPolarHBondContact CB-OD1 3.39Å; K277-N279 WeakPolarHBondContact CD-OD1 3.37Å; K277-N279 HydrophobicContact CG-CB 4.44Å; K277-N279 WeakPolarHBondContact CG-OD1 3.41Å; K277-N279 PolarHBondContact O-N 2.97Å; K277-N319 HydrophobicContact CB-CB 4.46Å; K277-N319 VanDerWaalsContact CB-OD1 3.24Å; K277-N319 WeakPolarHBondContact CB-OD1 3.36Å; K277-N319 PolarHBondContact N-OD1 2.79Å
278	G	97.4	Very high	96.9	Very high	18 Å²	18	33.6 Å²	33.6	19%	0.186	16%	0.158	C	C	.	.	S	Bend	trans	74.6	13.8	178.9	0	0	0	0	0	114.6	W274 N275 K276	W274-G278 VanDerWaalsContact CZ3-O 3.28Å; W274-G278 WeakPolarHBondContact CZ3-O 3.32Å; N275-G278 PolarHBondContact O-N 2.92Å; N275-G278 PolarHBondContact OD1-N 3.29Å; K276-G278 VanDerWaalsContact C-N 3.28Å; K276-G278 PolarHBondContact O-N 2.82Å
279	N	97.5	Very high	97.3	Very high	24 Å²	24	34 Å²	34	13%	0.128	16%	0.161	C	C	.	.	S	Bend	trans	-100.5	-15.7	-178.7	72.3	-71	0	0	0	113.3	N275 K277 A295	N275-N279 PolarHBondContact ND2-OD1 2.86Å; N275-N279 PolarHBondContact OD1-N 2.85Å; N275-N279 PolarHBondContact OD1-OD1 2.85Å; K277-N279 VanDerWaalsContact C-N 3.29Å; K277-N279 VanDerWaalsContact CB-OD1 3.32Å; K277-N279 WeakPolarHBondContact CB-OD1 3.39Å; K277-N279 WeakPolarHBondContact CD-OD1 3.37Å; K277-N279 HydrophobicContact CG-CB 4.44Å; K277-N279 WeakPolarHBondContact CG-OD1 3.41Å; K277-N279 PolarHBondContact O-N 2.97Å; N279-A295 PolarHBondContact O-N 2.78Å; N279-A295 VanDerWaalsContact O-N 3.12Å
280	F	98.5	Very high	97.5	Very high	12 Å²	12	34.1 Å²	34.1	5%	0.053	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.3	176.5	-61.9	-42	0	0	0	111.4	N275 I292 W293 K301 W316 N319 L336	N275-F280 HydrophobicContact CB-CB 4.39Å; N275-F280 PolarHBondContact N-O 2.82Å; N275-F280 WeakPolarHBondContact ND2-CD2 3.12Å; N275-F280 PolarHBondContact OD1-N 3.26Å; N275-F280 VanDerWaalsContact OD1-N 3.1Å; N275-F280 PolarHBondContact OD1-O 2.91Å; F280-I292 HydrophobicContact CB-CG2 3.98Å; F280-I292 HydrophobicContact CD1-CG2 4.05Å; F280-I292 HydrophobicContact CD2-CG2 4.35Å; F280-I292 HydrophobicContact CG-CG2 3.88Å; F280-W293 VanDerWaalsContact CA-O 3.29Å; F280-W293 WeakPolarHBondContact CA-O 3.42Å; F280-K301 HydrophobicContact CD1-CD 4.13Å; F280-K301 HydrophobicContact CE1-CD 3.37Å; F280-K301 HydrophobicContact CZ-CD 3.71Å; F280-W316 HydrophobicContact CB-CH2 4.11Å; F280-W316 HydrophobicContact CB-CZ2 4.05Å; F280-N319 WeakPolarHBondContact CD2-O 3.47Å; F280-L336 HydrophobicContact CE2-CD2 3.8Å; F280-L336 HydrophobicContact CZ-CD2 3.85Å
281	I	98.7	Very high	97.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.4	164.9	-65	160.1	0	0	0	106.8	A241 I251 L262 L272 W274 I292 W293 A295	A241-I281 HydrophobicContact CB-CD1 3.78Å; A241-I281 HydrophobicContact CB-CG1 4.28Å; I251-I281 HydrophobicContact CD1-CD1 3.55Å; I251-I281 HydrophobicContact CG1-CD1 3.63Å; L262-I281 HydrophobicContact CD1-CB 4.46Å; L262-I281 HydrophobicContact CD1-CD1 3.63Å; L272-I281 HydrophobicContact CD1-CG2 4.39Å; W274-I281 HydrophobicContact CD2-CD1 4.23Å; W274-I281 HydrophobicContact CD2-CG1 3.63Å; W274-I281 HydrophobicContact CE3-CD1 4.23Å; W274-I281 HydrophobicContact CE3-CG1 3.6Å; W274-I281 HydrophobicContact CG-CG1 4.3Å; W274-I281 HydrophobicContact CH2-CD1 3.7Å; W274-I281 HydrophobicContact CH2-CG1 4.02Å; W274-I281 HydrophobicContact CZ2-CD1 3.66Å; W274-I281 HydrophobicContact CZ2-CG1 4.02Å; W274-I281 HydrophobicContact CZ3-CD1 3.99Å; W274-I281 HydrophobicContact CZ3-CG1 3.81Å; I281-I292 CarbonylContact O-C 3.59Å; I281-I292 WeakPolarHBondContact O-CA 3.2Å; I281-W293 HydrophobicContact CB-CB 4.36Å; I281-W293 PolarHBondContact N-O 2.92Å; I281-W293 VanDerWaalsContact N-O 3.13Å; I281-W293 PolarHBondContact O-N 3Å; I281-A295 HydrophobicContact CD1-CB 4.44Å
282	L	98.8	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.7	171.1	171.6	64.8	0	0	0	108.2	L272 K273 I291 I292 V314 W316 F322	L272-L282 CarbonylContact C-O 3.55Å; L272-L282 WeakPolarHBondContact CA-O 3.47Å; K273-L282 PolarHBondContact N-O 3.47Å; K273-L282 PolarHBondContact O-N 2.79Å; L282-I291 CarbonylContact C-O 3.5Å; L282-I291 WeakPolarHBondContact CA-O 3.31Å; L282-I292 HydrophobicContact CD1-CG1 3.98Å; L282-V314 HydrophobicContact CD1-CG1 4.39Å; L282-V314 HydrophobicContact CD2-CB 3.59Å; L282-V314 HydrophobicContact CD2-CG1 3.84Å; L282-V314 HydrophobicContact CD2-CG2 4.09Å; L282-V314 HydrophobicContact CG-CB 3.95Å; L282-V314 HydrophobicContact CG-CG1 3.96Å; L282-V314 HydrophobicContact CG-CG2 4.02Å; L282-W316 HydrophobicContact CB-CH2 4.21Å; L282-W316 HydrophobicContact CB-CZ2 3.35Å; L282-W316 HydrophobicContact CD2-CD2 4.24Å; L282-W316 HydrophobicContact CD2-CZ2 4.3Å; L282-W316 HydrophobicContact CG-CZ2 4.4Å; L282-F322 HydrophobicContact CD1-CD1 4.25Å; L282-F322 HydrophobicContact CD1-CD2 3.95Å; L282-F322 HydrophobicContact CD1-CE1 4.11Å; L282-F322 HydrophobicContact CD1-CE2 3.79Å; L282-F322 HydrophobicContact CD1-CG 4.17Å; L282-F322 HydrophobicContact CD1-CZ 3.86Å; L282-F322 HydrophobicContact CD2-CB 3.47Å; L282-F322 VanDerWaalsContact CD2-CB 3.47Å; L282-F322 HydrophobicContact CD2-CD1 4.15Å; L282-F322 HydrophobicContact CD2-CD2 3.45Å; L282-F322 VanDerWaalsContact CD2-CD2 3.45Å; L282-F322 HydrophobicContact CD2-CE2 4.15Å; L282-F322 HydrophobicContact CD2-CG 3.43Å; L282-F322 VanDerWaalsContact CD2-CG 3.43Å; L282-F322 HydrophobicContact CG-CD2 4.33Å; L282-F322 HydrophobicContact CG-CG 4.46Å
283	S	98.7	Very high	97.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	151.1	172.3	58.3	0	0	0	0	111.8	H265 A271 T290 I291 W293	H265-S283 PolarHBondContact CD2-OG 2.97Å; H265-S283 PolarHBondContact NE2-OG 2.84Å; A271-S283 CarbonylContact O-C 3.59Å; A271-S283 VanDerWaalsContact O-CA 3.24Å; A271-S283 WeakPolarHBondContact O-CA 3.32Å; S283-T290 CarbonylContact O-C 3.56Å; S283-T290 WeakPolarHBondContact O-CA 3.43Å; S283-T290 WeakPolarHBondContact O-CB 3.19Å; S283-I291 PolarHBondContact N-O 3.34Å; S283-I291 PolarHBondContact O-N 3.37Å; S283-W293 PolarHBondContact OG-NE1 2.92Å
284	A	98.5	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.8	173.5	0	0	0	0	0	109.6	I269 F270 A271 T290 A311 V314	I269-A284 CarbonylContact C-O 3.46Å; I269-A284 WeakPolarHBondContact CA-O 3.37Å; F270-A284 PolarHBondContact N-O 2.59Å; A271-A284 HydrophobicContact CB-CB 4.32Å; A271-A284 PolarHBondContact O-N 3.02Å; A284-T290 HydrophobicContact CB-CG2 4.09Å; A284-A311 HydrophobicContact CB-CB 4.01Å; A284-A311 WeakPolarHBondContact CB-O 3.46Å; A284-V314 HydrophobicContact CB-CG1 3.82Å; A284-V314 HydrophobicContact CB-CG2 4.32Å
285	G	95.1	Very high	97.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	161.9	-174.3	0	0	0	0	0	114.5	P268 D287 K288 T289 A311	P268-G285 VanDerWaalsContact O-CA 3.32Å; P268-G285 WeakPolarHBondContact O-CA 3.34Å; G285-D287 PolarHBondContact O-N 3.15Å; G285-D287 VanDerWaalsContact O-N 3.14Å; G285-K288 PolarHBondContact O-N 3.35Å; G285-T289 PolarHBondContact N-O 2.84Å; G285-A311 PolarHBondContact O-N 3.02Å; G285-A311 VanDerWaalsContact O-N 3.08Å
286	V	93.8	Very high	97.3	Very high	40 Å²	40	35.6 Å²	35.6	24%	0.242	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.7	171.6	76.4	0	0	0	0	112.4	P268 F270 K288 P310	P268-V286 PolarHBondContact O-N 3.12Å; F270-V286 HydrophobicContact CE2-CB 3.88Å; F270-V286 HydrophobicContact CE2-CG2 4.04Å; F270-V286 HydrophobicContact CZ-CB 3.87Å; F270-V286 HydrophobicContact CZ-CG2 3.9Å; V286-K288 PolarHBondContact O-N 2.84Å; V286-P310 HydrophobicContact CG2-CB 4.25Å; V286-P310 HydrophobicContact CG2-CG 4.03Å
287	D	95.2	Very high	97.2	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.15	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	10.1	179.5	68.3	9.4	0	0	0	114.4	H265 K266 G285 T289	H265-D287 IonicContact CE1-OD1 3.08Å; H265-D287 IonicContact CG-OD2 3.58Å; H265-D287 IonicContact ND1-OD1 3.78Å; H265-D287 PolarHBondContact ND1-OD1 3.08Å; H265-D287 VanDerWaalsContact ND1-OD1 3.08Å; H265-D287 IonicContact ND1-OD2 3.63Å; H265-D287 PolarHBondContact ND1-OD2 3.16Å; K266-D287 HydrophobicContact CB-CB 3.78Å; K266-D287 PolarHBondContact N-OD2 2.79Å; G285-D287 PolarHBondContact O-N 3.15Å; G285-D287 VanDerWaalsContact O-N 3.14Å; D287-T289 WeakPolarHBondContact O-CG2 3.38Å; D287-T289 PolarHBondContact O-N 3.17Å; D287-T289 PolarHBondContact OD1-N 3Å; D287-T289 VanDerWaalsContact OD1-N 3.12Å; D287-T289 PolarHBondContact OD1-OG1 2.62Å
288	K	97.8	Very high	96.9	Very high	96 Å²	96	25 Å²	25	42%	0.417	14%	0.137	S	C	.	.	S	Bend	trans	72.7	12.8	174.3	-39.5	170.6	174.9	-161.8	0	113.1	G285 V286 H307 S308 A309	G285-K288 PolarHBondContact O-N 3.35Å; V286-K288 PolarHBondContact O-N 2.84Å; K288-H307 HydrophobicContact CB-CB 4.5Å; K288-H307 WeakPolarHBondContact CB-O 3.4Å; K288-S308 WeakPolarHBondContact CD-O 3.14Å; K288-S308 WeakPolarHBondContact CE-O 3.43Å; K288-S308 PolarHBondContact NZ-O 3.2Å; K288-A309 WeakPolarHBondContact CA-O 3.11Å; K288-A309 VanDerWaalsContact CB-O 3.25Å; K288-A309 WeakPolarHBondContact CB-O 3.27Å; K288-A309 WeakPolarHBondContact CG-O 3.24Å
289	T	98.5	Very high	96.7	Very high	10 Å²	10	30.3 Å²	30.3	6%	0.061	16%	0.157	C	C	.	.			trans	-120.6	155.7	-176.5	76.1	0	0	0	0	111.7	H265 G285 D287 Q303 F304 P305	H265-T289 PolarHBondContact CE1-O 2.92Å; G285-T289 PolarHBondContact N-O 2.84Å; D287-T289 WeakPolarHBondContact O-CG2 3.38Å; D287-T289 PolarHBondContact O-N 3.17Å; D287-T289 PolarHBondContact OD1-N 3Å; D287-T289 VanDerWaalsContact OD1-N 3.12Å; D287-T289 PolarHBondContact OD1-OG1 2.62Å; T289-Q303 HydrophobicContact CG2-CG 4.24Å; T289-Q303 PolarHBondContact OG1-NE2 2.77Å; T289-F304 WeakPolarHBondContact CA-O 3.23Å; T289-P305 HydrophobicContact CG2-CB 3.97Å
290	T	98.8	Very high	96.7	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.7	162.8	59.6	0	0	0	0	110	S283 A284 Q303 F304 A311 V314 F322	S283-T290 CarbonylContact O-C 3.56Å; S283-T290 WeakPolarHBondContact O-CA 3.43Å; S283-T290 WeakPolarHBondContact O-CB 3.19Å; A284-T290 HydrophobicContact CB-CG2 4.09Å; T290-Q303 WeakPolarHBondContact O-CA 3.46Å; T290-F304 PolarHBondContact N-O 2.94Å; T290-F304 WeakPolarHBondContact O-CD2 3.25Å; T290-F304 PolarHBondContact O-N 3.06Å; T290-F304 WeakPolarHBondContact OG1-CB 3.42Å; T290-A311 HydrophobicContact CG2-CB 4.24Å; T290-V314 HydrophobicContact CG2-CG1 3.69Å; T290-F322 HydrophobicContact CG2-CE2 4.2Å; T290-F322 WeakPolarHBondContact OG1-CE2 3.4Å; T290-F322 VanDerWaalsContact OG1-CZ 3.3Å; T290-F322 WeakPolarHBondContact OG1-CZ 3.34Å
291	I	98.7	Very high	96.6	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130.3	179.2	-58.6	175.5	0	0	0	109.5	L282 S283 W293 A300 Q302 Q303	L282-I291 CarbonylContact C-O 3.5Å; L282-I291 WeakPolarHBondContact CA-O 3.31Å; S283-I291 PolarHBondContact N-O 3.34Å; S283-I291 PolarHBondContact O-N 3.37Å; I291-W293 HydrophobicContact CB-CZ2 3.77Å; I291-W293 HydrophobicContact CD1-CH2 3.89Å; I291-W293 HydrophobicContact CD1-CZ2 3.63Å; I291-W293 HydrophobicContact CG1-CZ2 4.27Å; I291-W293 HydrophobicContact CG2-CD2 3.72Å; I291-W293 VanDerWaalsContact CG2-CE2 3.4Å; I291-W293 HydrophobicContact CG2-CE3 4.12Å; I291-W293 HydrophobicContact CG2-CG 4.26Å; I291-W293 HydrophobicContact CG2-CH2 3.97Å; I291-W293 HydrophobicContact CG2-CZ2 3.56Å; I291-W293 HydrophobicContact CG2-CZ3 4.24Å; I291-A300 HydrophobicContact CG2-CB 3.98Å; I291-Q302 WeakPolarHBondContact CA-O 3.41Å; I291-Q303 HydrophobicContact CD1-CG 4.28Å; I291-Q303 HydrophobicContact CG1-CB 4Å; I291-Q303 HydrophobicContact CG1-CG 3.78Å
292	I	98.7	Very high	96.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.1	163.3	-68.1	175.4	0	0	0	108	F280 I281 L282 K301 Q302 F304 W316 F322 L336	F280-I292 HydrophobicContact CB-CG2 3.98Å; F280-I292 HydrophobicContact CD1-CG2 4.05Å; F280-I292 HydrophobicContact CD2-CG2 4.35Å; F280-I292 HydrophobicContact CG-CG2 3.88Å; I281-I292 CarbonylContact O-C 3.59Å; I281-I292 WeakPolarHBondContact O-CA 3.2Å; L282-I292 HydrophobicContact CD1-CG1 3.98Å; I292-K301 HydrophobicContact CG2-CB 4.24Å; I292-K301 WeakPolarHBondContact O-CA 3.27Å; I292-K301 VanDerWaalsContact O-CB 3.3Å; I292-K301 WeakPolarHBondContact O-CB 3.35Å; I292-K301 PolarHBondContact O-N 2.87Å; I292-Q302 PolarHBondContact N-O 2.88Å; I292-Q302 PolarHBondContact O-N 2.97Å; I292-F304 HydrophobicContact CB-CE2 4.31Å; I292-F304 HydrophobicContact CD1-CE2 3.75Å; I292-F304 HydrophobicContact CD1-CZ 3.89Å; I292-F304 HydrophobicContact CG1-CE2 3.82Å; I292-F304 HydrophobicContact CG1-CZ 4.47Å; I292-W316 HydrophobicContact CD1-CH2 3.72Å; I292-W316 HydrophobicContact CD1-CZ3 4.12Å; I292-W316 HydrophobicContact CG1-CH2 3.84Å; I292-W316 HydrophobicContact CG2-CH2 4.4Å; I292-F322 HydrophobicContact CD1-CD1 4.01Å; I292-F322 HydrophobicContact CD1-CE1 3.74Å; I292-F322 HydrophobicContact CG1-CE1 4.15Å; I292-L336 HydrophobicContact CB-CD1 4.42Å; I292-L336 HydrophobicContact CD1-CB 4.09Å; I292-L336 HydrophobicContact CD1-CD1 4.02Å; I292-L336 HydrophobicContact CG2-CD1 4.27Å
293	W	98.4	Very high	96.6	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.019	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.5	175.3	-47.8	89.3	0	0	0	110.4	L262 F280 I281 S283 I291 E299 A300	L262-W293 HydrophobicContact CB-CB 4.47Å; L262-W293 HydrophobicContact CB-CD2 3.9Å; L262-W293 HydrophobicContact CB-CE3 3.6Å; L262-W293 HydrophobicContact CB-CG 4.27Å; L262-W293 HydrophobicContact CB-CZ3 4.18Å; L262-W293 HydrophobicContact CD1-CB 3.76Å; L262-W293 HydrophobicContact CD1-CD2 4.29Å; L262-W293 HydrophobicContact CD1-CG 3.83Å; L262-W293 VanDerWaalsContact O-CZ3 3.29Å; L262-W293 WeakPolarHBondContact O-CZ3 3.35Å; F280-W293 VanDerWaalsContact CA-O 3.29Å; F280-W293 WeakPolarHBondContact CA-O 3.42Å; I281-W293 HydrophobicContact CB-CB 4.36Å; I281-W293 PolarHBondContact N-O 2.92Å; I281-W293 VanDerWaalsContact N-O 3.13Å; I281-W293 PolarHBondContact O-N 3Å; S283-W293 PolarHBondContact OG-NE1 2.92Å; I291-W293 HydrophobicContact CB-CZ2 3.77Å; I291-W293 HydrophobicContact CD1-CH2 3.89Å; I291-W293 HydrophobicContact CD1-CZ2 3.63Å; I291-W293 HydrophobicContact CG1-CZ2 4.27Å; I291-W293 HydrophobicContact CG2-CD2 3.72Å; I291-W293 VanDerWaalsContact CG2-CE2 3.4Å; I291-W293 HydrophobicContact CG2-CE3 4.12Å; I291-W293 HydrophobicContact CG2-CG 4.26Å; I291-W293 HydrophobicContact CG2-CH2 3.97Å; I291-W293 HydrophobicContact CG2-CZ2 3.56Å; I291-W293 HydrophobicContact CG2-CZ3 4.24Å; W293-E299 WeakPolarHBondContact CA-O 3.22Å; W293-A300 HydrophobicContact CE3-CB 3.78Å; W293-A300 HydrophobicContact CH2-CB 4.36Å; W293-A300 HydrophobicContact CZ3-CB 3.6Å
294	D	97.2	Very high	96.6	Very high	22 Å²	22	43 Å²	43	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	111.6	169.3	-159.4	-51.6	0	0	0	109.5	H296 T297 G298 E299 K301	D294-H296 PolarHBondContact O-N 2.73Å; D294-H296 IonicContact OD1-CG 3.99Å; D294-H296 PolarHBondContact OD1-N 3.48Å; D294-H296 IonicContact OD1-ND1 3.5Å; D294-H296 PolarHBondContact OD1-ND1 2.97Å; D294-T297 PolarHBondContact O-N 3.45Å; D294-G298 WeakPolarHBondContact O-CA 3.48Å; D294-G298 PolarHBondContact O-N 2.72Å; D294-E299 PolarHBondContact N-O 3.11Å; D294-K301 IonicContact OD2-NZ 2.86Å; D294-K301 PolarHBondContact OD2-NZ 2.85Å
295	A	95.7	Very high	96.6	Very high	17 Å²	17	47.2 Å²	47.2	14%	0.14	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.8	-172.2	0	0	0	0	0	113.4	I251 W274 N279 I281	I251-A295 HydrophobicContact CD1-CB 4.06Å; W274-A295 HydrophobicContact CE3-CB 4.42Å; W274-A295 HydrophobicContact CH2-CB 3.79Å; W274-A295 HydrophobicContact CZ3-CB 3.37Å; N279-A295 PolarHBondContact O-N 2.78Å; N279-A295 VanDerWaalsContact O-N 3.12Å; I281-A295 HydrophobicContact CD1-CB 4.44Å
296	H	93.7	Very high	96.7	Very high	150 Å²	150	49.5 Å²	49.5	69%	0.694	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-44.1	179.8	-57	97.2	0	0	0	112.1	D294	D294-H296 PolarHBondContact O-N 2.73Å; D294-H296 IonicContact OD1-CG 3.99Å; D294-H296 PolarHBondContact OD1-N 3.48Å; D294-H296 IonicContact OD1-ND1 3.5Å; D294-H296 PolarHBondContact OD1-ND1 2.97Å
297	T	94	Very high	97	Very high	86 Å²	86	48.2 Å²	48.2	53%	0.528	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-24	-179.4	68.5	0	0	0	0	111.9	D294 E299	D294-T297 PolarHBondContact O-N 3.45Å; T297-E299 VanDerWaalsContact C-N 3.34Å; T297-E299 PolarHBondContact OG1-N 2.88Å
298	G	91.3	Very high	97	Very high	10 Å²	10	50.9 Å²	50.9	10%	0.103	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	19.8	-173.9	0	0	0	0	0	113.5	L262 D294	L262-G298 CarbonylContact C-O 3.44Å; L262-G298 VanDerWaalsContact CA-O 3.24Å; L262-G298 WeakPolarHBondContact CA-O 3.27Å; L262-G298 VanDerWaalsContact CD2-CA 3.49Å; D294-G298 WeakPolarHBondContact O-CA 3.48Å; D294-G298 PolarHBondContact O-N 2.72Å
299	E	93.6	Very high	97	Very high	130 Å²	130	47.1 Å²	47.1	61%	0.607	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	152.5	-174.9	-63	-177.6	152.1	0	0	112.5	W293 D294 T297 K301	W293-E299 WeakPolarHBondContact CA-O 3.22Å; D294-E299 PolarHBondContact N-O 3.11Å; T297-E299 VanDerWaalsContact C-N 3.34Å; T297-E299 PolarHBondContact OG1-N 2.88Å; E299-K301 PolarHBondContact O-N 3.09Å
300	A	97	Very high	96.9	Very high	61 Å²	61	48.2 Å²	48.2	50%	0.504	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	118.9	168.9	0	0	0	0	0	110	I291 W293	I291-A300 HydrophobicContact CG2-CB 3.98Å; W293-A300 HydrophobicContact CE3-CB 3.78Å; W293-A300 HydrophobicContact CH2-CB 4.36Å; W293-A300 HydrophobicContact CZ3-CB 3.6Å
301	K	97.3	Very high	96.9	Very high	99 Å²	99	48.1 Å²	48.1	43%	0.43	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-41.4	179.2	-160.3	175	-163.3	77.6	0	112.1	F280 I292 D294 E299 L336	F280-K301 HydrophobicContact CD1-CD 4.13Å; F280-K301 HydrophobicContact CE1-CD 3.37Å; F280-K301 HydrophobicContact CZ-CD 3.71Å; I292-K301 HydrophobicContact CG2-CB 4.24Å; I292-K301 WeakPolarHBondContact O-CA 3.27Å; I292-K301 VanDerWaalsContact O-CB 3.3Å; I292-K301 WeakPolarHBondContact O-CB 3.35Å; I292-K301 PolarHBondContact O-N 2.87Å; D294-K301 IonicContact OD2-NZ 2.86Å; D294-K301 PolarHBondContact OD2-NZ 2.85Å; E299-K301 PolarHBondContact O-N 3.09Å; K301-L336 HydrophobicContact CD-CD1 3.98Å; K301-L336 HydrophobicContact CD-CD2 3.83Å; K301-L336 HydrophobicContact CG-CD1 4.1Å
302	Q	98.3	Very high	96.8	Very high	41 Å²	41	49.3 Å²	49.3	19%	0.192	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	136.2	175.7	-171.3	175.4	-3.2	0	0	110.9	I291 I292 F304 L336 Q338	I291-Q302 WeakPolarHBondContact CA-O 3.41Å; I292-Q302 PolarHBondContact N-O 2.88Å; I292-Q302 PolarHBondContact O-N 2.97Å; Q302-F304 HydrophobicContact CB-CE2 3.85Å; Q302-F304 HydrophobicContact CB-CZ 3.93Å; Q302-F304 VanDerWaalsContact CD-CE1 3.42Å; Q302-F304 HydrophobicContact CG-CD2 4.37Å; Q302-F304 HydrophobicContact CG-CE1 4.07Å; Q302-F304 HydrophobicContact CG-CE2 3.84Å; Q302-F304 HydrophobicContact CG-CZ 3.68Å; Q302-F304 WeakPolarHBondContact O-CE2 3.43Å; Q302-F304 VanDerWaalsContact OE1-CZ 3.3Å; Q302-L336 HydrophobicContact CB-CD1 3.93Å; Q302-Q338 PolarHBondContact NE2-O 2.8Å
303	Q	98.3	Very high	96.8	Very high	100 Å²	100	50.2 Å²	50.2	47%	0.467	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.7	169.7	-177.6	168.4	9.7	0	0	109.8	T289 T290 I291 P305	T289-Q303 HydrophobicContact CG2-CG 4.24Å; T289-Q303 PolarHBondContact OG1-NE2 2.77Å; T290-Q303 WeakPolarHBondContact O-CA 3.46Å; I291-Q303 HydrophobicContact CD1-CG 4.28Å; I291-Q303 HydrophobicContact CG1-CB 4Å; I291-Q303 HydrophobicContact CG1-CG 3.78Å; Q303-P305 WeakPolarHBondContact O-CD 3.34Å
304	F	98.6	Very high	96.8	Very high	2 Å²	2	50 Å²	50	1%	0.009	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	97.3	-176.6	-56.7	-97.5	0	0	0	109.3	T289 T290 I292 Q302 F306 F322 C334	T289-F304 WeakPolarHBondContact CA-O 3.23Å; T290-F304 PolarHBondContact N-O 2.94Å; T290-F304 WeakPolarHBondContact O-CD2 3.25Å; T290-F304 PolarHBondContact O-N 3.06Å; T290-F304 WeakPolarHBondContact OG1-CB 3.42Å; I292-F304 HydrophobicContact CB-CE2 4.31Å; I292-F304 HydrophobicContact CD1-CE2 3.75Å; I292-F304 HydrophobicContact CD1-CZ 3.89Å; I292-F304 HydrophobicContact CG1-CE2 3.82Å; I292-F304 HydrophobicContact CG1-CZ 4.47Å; Q302-F304 HydrophobicContact CB-CE2 3.85Å; Q302-F304 HydrophobicContact CB-CZ 3.93Å; Q302-F304 VanDerWaalsContact CD-CE1 3.42Å; Q302-F304 HydrophobicContact CG-CD2 4.37Å; Q302-F304 HydrophobicContact CG-CE1 4.07Å; Q302-F304 HydrophobicContact CG-CE2 3.84Å; Q302-F304 HydrophobicContact CG-CZ 3.68Å; Q302-F304 WeakPolarHBondContact O-CE2 3.43Å; Q302-F304 VanDerWaalsContact OE1-CZ 3.3Å; F304-F306 VanDerWaalsContact C-N 3.35Å; F304-F306 HydrophobicContact CB-CD2 4.02Å; F304-F306 HydrophobicContact CB-CE2 3.89Å; F304-F306 HydrophobicContact CB-CZ 4.32Å; F304-F306 AromaticContact CD1-CE2 3.65Å; F304-F306 HydrophobicContact CD1-CE2 3.65Å; F304-F306 AromaticContact CD1-CZ 3.96Å; F304-F306 HydrophobicContact CD1-CZ 3.96Å; F304-F306 HydrophobicContact CG-CE2 4.26Å; F304-F306 PolarHBondContact O-N 2.87Å; F304-F322 HydrophobicContact CD1-CZ 4.37Å; F304-F322 HydrophobicContact CD2-CE1 4.05Å; F304-F322 AromaticContact CD2-CZ 3.72Å; F304-F322 HydrophobicContact CD2-CZ 3.72Å; F304-F322 HydrophobicContact CE1-CE1 4.31Å; F304-F322 AromaticContact CE2-CE1 3.78Å; F304-F322 HydrophobicContact CE2-CE1 3.78Å; F304-F322 AromaticContact CE2-CZ 3.95Å; F304-F322 HydrophobicContact CE2-CZ 3.95Å; F304-F322 HydrophobicContact CG-CE1 4.45Å; F304-F322 AromaticContact CG-CZ 3.95Å; F304-F322 HydrophobicContact CG-CZ 3.95Å; F304-F322 AromaticContact CZ-CE1 3.91Å; F304-F322 HydrophobicContact CZ-CE1 3.91Å; F304-F322 HydrophobicContact CZ-CZ 4.35Å; F304-C334 HydrophobicContact CD1-CB 4.21Å; F304-C334 HydrophobicContact CE1-CB 4.42Å
305	P	98.4	Very high	96.9	Very high	89 Å²	89	50.2 Å²	50.2	58%	0.578	28%	0.279	S	S	*	.			trans	-92.4	61.2	-176.3	37.2	-35.8	0	0	0	111.5	T289 Q303	T289-P305 HydrophobicContact CG2-CB 3.97Å; Q303-P305 WeakPolarHBondContact O-CD 3.34Å
306	F	98.5	Very high	97	Very high	47 Å²	47	50.7 Å²	50.7	21%	0.206	28%	0.277	C	S	.	.			trans	-99.3	-31.4	-172.6	-57.6	-30.6	0	0	0	114.2	F304 H332 C334 D339 P341	F304-F306 VanDerWaalsContact C-N 3.35Å; F304-F306 HydrophobicContact CB-CD2 4.02Å; F304-F306 HydrophobicContact CB-CE2 3.89Å; F304-F306 HydrophobicContact CB-CZ 4.32Å; F304-F306 AromaticContact CD1-CE2 3.65Å; F304-F306 HydrophobicContact CD1-CE2 3.65Å; F304-F306 AromaticContact CD1-CZ 3.96Å; F304-F306 HydrophobicContact CD1-CZ 3.96Å; F304-F306 HydrophobicContact CG-CE2 4.26Å; F304-F306 PolarHBondContact O-N 2.87Å; F306-H332 PolarHBondContact O-NE2 3.09Å; F306-C334 VanDerWaalsContact CD2-SG 3.53Å; F306-D339 VanDerWaalsContact CE1-O 3.25Å; F306-D339 WeakPolarHBondContact CE1-O 3.26Å; F306-D339 WeakPolarHBondContact CZ-O 3.39Å; F306-P341 HydrophobicContact CB-CG 4.11Å; F306-P341 HydrophobicContact CD1-CG 4.33Å; F306-P341 HydrophobicContact CD2-CB 4.37Å; F306-P341 HydrophobicContact CD2-CG 3.55Å; F306-P341 HydrophobicContact CE2-CG 3.97Å; F306-P341 HydrophobicContact CG-CG 3.76Å
307	H	98.5	Very high	97.3	Very high	13 Å²	13	46.8 Å²	46.8	6%	0.06	26%	0.26	C	S	.	.			trans	-75.5	150.3	177.3	-71.5	-68.7	0	0	0	111.7	K288 A309 S324 S326 D328 C330 H332	K288-H307 HydrophobicContact CB-CB 4.5Å; K288-H307 WeakPolarHBondContact CB-O 3.4Å; H307-A309 WeakPolarHBondContact CB-O 3.36Å; H307-S324 PolarHBondContact CD2-OG 3.12Å; H307-S324 PolarHBondContact NE2-O 2.83Å; H307-S324 PolarHBondContact NE2-OG 3.28Å; H307-S326 VanDerWaalsContact CE1-CB 3.49Å; H307-S326 WeakPolarHBondContact CE1-CB 3.3Å; H307-S326 WeakPolarHBondContact ND1-CB 3.5Å; H307-D328 VanDerWaalsContact CA-OD2 3.29Å; H307-D328 WeakPolarHBondContact CA-OD2 3.26Å; H307-D328 WeakPolarHBondContact CB-OD2 3.45Å; H307-D328 IonicContact CE1-OD1 3.16Å; H307-D328 IonicContact CG-OD2 3.23Å; H307-D328 IonicContact ND1-OD1 2.62Å; H307-D328 PolarHBondContact ND1-OD1 2.59Å; H307-D328 IonicContact ND1-OD2 2.6Å; H307-D328 PolarHBondContact ND1-OD2 3.04Å; H307-C330 PolarHBondContact CE1-O 2.77Å; H307-H332 AromaticContact CD2-CD2 3.86Å; H307-H332 AromaticContact CE1-CD2 3.27Å; H307-H332 PolarHBondContact CE1-CD2 3.26Å; H307-H332 AromaticContact CE1-NE2 3.84Å; H307-H332 AromaticContact CG-CD2 3.75Å; H307-H332 AromaticContact ND1-CD2 3.38Å; H307-H332 PolarHBondContact ND1-CD2 2.7Å; H307-H332 AromaticContact ND1-NE2 3.56Å; H307-H332 AromaticContact NE2-CD2 3.55Å
308	S	96.9	Very high	97.5	Very high	84 Å²	84	45.1 Å²	45.1	59%	0.587	25%	0.251	S	S	*	.	S	Bend	trans	-96.9	-11.6	176.8	65.2	0	0	0	0	113.2	K288 D328	K288-S308 WeakPolarHBondContact CD-O 3.14Å; K288-S308 WeakPolarHBondContact CE-O 3.43Å; K288-S308 PolarHBondContact NZ-O 3.2Å; S308-D328 PolarHBondContact N-OD2 3.42Å; S308-D328 WeakPolarHBondContact OG-CB 3.19Å; S308-D328 PolarHBondContact OG-OD2 3.48Å
309	A	96.1	Very high	97.8	Very high	17 Å²	17	47 Å²	47	14%	0.14	26%	0.259	C	S	.	.	S	Bend	trans	-134.5	175.1	175.7	0	0	0	0	0	110.1	K288 H307 A311 S326 T327 D328	K288-A309 WeakPolarHBondContact CA-O 3.11Å; K288-A309 VanDerWaalsContact CB-O 3.25Å; K288-A309 WeakPolarHBondContact CB-O 3.27Å; K288-A309 WeakPolarHBondContact CG-O 3.24Å; H307-A309 WeakPolarHBondContact CB-O 3.36Å; A309-A311 PolarHBondContact O-N 3.45Å; A309-S326 PolarHBondContact O-OG 2.64Å; A309-S326 VanDerWaalsContact O-OG 3.11Å; A309-T327 HydrophobicContact CB-CG2 4.32Å; A309-D328 HydrophobicContact CB-CB 3.79Å
310	P	97.4	Very high	98	Very high	33 Å²	33	44 Å²	44	21%	0.214	25%	0.247	C	C	.	.			trans	-50.6	138.7	-177	-31.1	38.7	0	0	0	114.2	F270 V286 L312 S326 T327	F270-P310 HydrophobicContact CE2-CB 3.85Å; V286-P310 HydrophobicContact CG2-CB 4.25Å; V286-P310 HydrophobicContact CG2-CG 4.03Å; P310-L312 HydrophobicContact CB-CD2 4.28Å; P310-S326 VanDerWaalsContact O-CA 3.26Å; P310-S326 WeakPolarHBondContact O-CA 3.47Å; P310-S326 WeakPolarHBondContact O-CB 3.44Å; P310-S326 PolarHBondContact O-OG 3.1Å; P310-T327 PolarHBondContact O-N 2.77Å
311	A	98.1	Very high	98.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.2	176.5	0	0	0	0	0	109.3	F270 A284 G285 T290 A309 C325	F270-A311 WeakPolarHBondContact CD2-O 3.04Å; A284-A311 HydrophobicContact CB-CB 4.01Å; A284-A311 WeakPolarHBondContact CB-O 3.46Å; G285-A311 PolarHBondContact O-N 3.02Å; G285-A311 VanDerWaalsContact O-N 3.08Å; T290-A311 HydrophobicContact CG2-CB 4.24Å; A309-A311 PolarHBondContact O-N 3.45Å; A311-C325 WeakPolarHBondContact CA-O 3.45Å
312	L	96.8	Very high	98.2	Very high	29 Å²	29	37 Å²	37	15%	0.152	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	-43.3	-163.8	-59.1	175.7	0	0	0	113	F270 P310 C325 E351	F270-L312 WeakPolarHBondContact CB-O 3.37Å; F270-L312 HydrophobicContact CD2-CD2 3.71Å; F270-L312 HydrophobicContact CE2-CD2 3.83Å; P310-L312 HydrophobicContact CB-CD2 4.28Å; L312-C325 PolarHBondContact N-O 2.8Å; L312-E351 HydrophobicContact CD1-CG 3.29Å; L312-E351 WeakPolarHBondContact CD1-OE1 3.33Å
313	D	98.7	Very high	98.2	Very high	19 Å²	19	35.1 Å²	35.1	10%	0.102	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.6	-177.5	-171	25.1	0	0	0	110.8	S324 C325 A354 I355 K356	D313-S324 WeakPolarHBondContact O-CA 3.49Å; D313-C325 PolarHBondContact O-N 3.29Å; D313-C325 VanDerWaalsContact O-N 3.13Å; D313-A354 VanDerWaalsContact OD2-CA 3.27Å; D313-A354 WeakPolarHBondContact OD2-CA 3.01Å; D313-I355 HydrophobicContact CB-CG1 4.49Å; D313-I355 PolarHBondContact OD2-N 3.09Å; D313-K356 VanDerWaalsContact CG-NZ 3.29Å; D313-K356 IonicContact OD1-NZ 2.9Å; D313-K356 PolarHBondContact OD1-NZ 2.95Å; D313-K356 VanDerWaalsContact OD1-NZ 3.16Å; D313-K356 IonicContact OD2-NZ 3.61Å; D313-K356 PolarHBondContact OD2-NZ 3.49Å
314	V	98.8	Very high	98.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145.5	179.3	-81.9	0	0	0	0	110.2	A271 L282 A284 T290 F322 A323	A271-V314 HydrophobicContact CB-CG2 3.84Å; L282-V314 HydrophobicContact CD1-CG1 4.39Å; L282-V314 HydrophobicContact CD2-CB 3.59Å; L282-V314 HydrophobicContact CD2-CG1 3.84Å; L282-V314 HydrophobicContact CD2-CG2 4.09Å; L282-V314 HydrophobicContact CG-CB 3.95Å; L282-V314 HydrophobicContact CG-CG1 3.96Å; L282-V314 HydrophobicContact CG-CG2 4.02Å; A284-V314 HydrophobicContact CB-CG1 3.82Å; A284-V314 HydrophobicContact CB-CG2 4.32Å; T290-V314 HydrophobicContact CG2-CG1 3.69Å; V314-F322 HydrophobicContact CG1-CD2 4.47Å; V314-A323 WeakPolarHBondContact CA-O 3.46Å
315	D	98.9	Very high	98.3	Very high	28 Å²	28	30.3 Å²	30.3	15%	0.15	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	139.2	171.8	-164.1	37.1	0	0	0	112.7	F322 A323 K356 W357	D315-F322 CarbonylContact O-C 3.57Å; D315-F322 VanDerWaalsContact O-CA 3.27Å; D315-F322 WeakPolarHBondContact O-CA 3.18Å; D315-F322 WeakPolarHBondContact O-CB 3.27Å; D315-A323 PolarHBondContact N-O 3.07Å; D315-A323 PolarHBondContact O-N 3.38Å; D315-K356 HydrophobicContact CB-CD 4.44Å; D315-K356 WeakPolarHBondContact OD2-CA 3.08Å; D315-W357 PolarHBondContact O-NE1 2.78Å; D315-W357 PolarHBondContact OD2-N 2.83Å
316	W	98.8	Very high	98.3	Very high	27 Å²	27	26 Å²	26	10%	0.102	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	121.8	-176.9	-74.2	105.4	0	0	0	110.8	K273 W274 N275 F280 L282 I292 F322	K273-W316 PolarHBondContact O-NE1 2.93Å; W274-W316 VanDerWaalsContact O-CD1 3.25Å; W274-W316 PolarHBondContact O-NE1 3.06Å; N275-W316 HydrophobicContact CB-CD2 3.81Å; N275-W316 HydrophobicContact CB-CE3 4.26Å; N275-W316 HydrophobicContact CB-CG 4.2Å; N275-W316 HydrophobicContact CB-CH2 4.25Å; N275-W316 HydrophobicContact CB-CZ2 3.79Å; N275-W316 HydrophobicContact CB-CZ3 4.48Å; F280-W316 HydrophobicContact CB-CH2 4.11Å; F280-W316 HydrophobicContact CB-CZ2 4.05Å; L282-W316 HydrophobicContact CB-CH2 4.21Å; L282-W316 HydrophobicContact CB-CZ2 3.35Å; L282-W316 HydrophobicContact CD2-CD2 4.24Å; L282-W316 HydrophobicContact CD2-CZ2 4.3Å; L282-W316 HydrophobicContact CG-CZ2 4.4Å; I292-W316 HydrophobicContact CD1-CH2 3.72Å; I292-W316 HydrophobicContact CD1-CZ3 4.12Å; I292-W316 HydrophobicContact CG1-CH2 3.84Å; I292-W316 HydrophobicContact CG2-CH2 4.4Å; W316-F322 HydrophobicContact CD2-CB 4.27Å; W316-F322 HydrophobicContact CE3-CB 3.84Å; W316-F322 HydrophobicContact CZ3-CB 4.29Å; W316-F322 HydrophobicContact CZ3-CD1 4.28Å
317	Q	98.6	Very high	98.2	Very high	68 Å²	68	26.3 Å²	26.3	32%	0.318	15%	0.153	S	C	.	.	S	Bend	trans	-80.1	-36.2	169.9	-166.1	-127	-5.2	0	0	111.4	T321 W357 G361	Q317-T321 HydrophobicContact CB-CG2 4.24Å; Q317-T321 WeakPolarHBondContact CB-O 3.34Å; Q317-T321 PolarHBondContact N-O 2.65Å; Q317-T321 VanDerWaalsContact OE1-CG2 3.25Å; Q317-W357 HydrophobicContact CB-CD2 3.81Å; Q317-W357 VanDerWaalsContact CB-CE2 3.47Å; Q317-W357 HydrophobicContact CB-CE3 4.46Å; Q317-W357 HydrophobicContact CB-CG 4.09Å; Q317-W357 HydrophobicContact CB-CZ2 3.87Å; Q317-W357 HydrophobicContact CG-CD2 3.6Å; Q317-W357 HydrophobicContact CG-CE3 3.75Å; Q317-W357 HydrophobicContact CG-CG 4.22Å; Q317-W357 HydrophobicContact CG-CH2 3.94Å; Q317-W357 HydrophobicContact CG-CZ2 3.8Å; Q317-W357 HydrophobicContact CG-CZ3 3.91Å; Q317-G361 PolarHBondContact NE2-O 2.89Å
318	S	98.3	Very high	98.2	Very high	50 Å²	50	26.6 Å²	26.6	35%	0.35	16%	0.155	S	C	.	.	S	Bend	trans	-150.2	-173.7	177.2	72.2	0	0	0	0	109.3	N320 T321	S318-N320 PolarHBondContact O-N 2.84Å; S318-N320 VanDerWaalsContact O-N 3.11Å; S318-N320 PolarHBondContact OG-N 2.84Å; S318-T321 PolarHBondContact N-O 2.85Å; S318-T321 WeakPolarHBondContact OG-CB 3.47Å; S318-T321 PolarHBondContact OG-N 3.5Å; S318-T321 VanDerWaalsContact OG-N 3.08Å; S318-T321 PolarHBondContact OG-OG1 3.45Å
319	N	98.4	Very high	98.3	Very high	51 Å²	51	26.6 Å²	26.6	27%	0.273	15%	0.147	S	C	.	.	S	Bend	trans	-67.6	-9.9	176.9	-69.6	-49.5	0	0	0	114.5	N275 K276 K277 F280	N275-N319 PolarHBondContact ND2-O 3.22Å; N275-N319 VanDerWaalsContact ND2-O 3.09Å; K276-N319 PolarHBondContact N-OD1 2.75Å; K277-N319 HydrophobicContact CB-CB 4.46Å; K277-N319 VanDerWaalsContact CB-OD1 3.24Å; K277-N319 WeakPolarHBondContact CB-OD1 3.36Å; K277-N319 PolarHBondContact N-OD1 2.79Å; F280-N319 WeakPolarHBondContact CD2-O 3.47Å
320	N	98.4	Very high	98.4	Very high	67 Å²	67	26.8 Å²	26.8	36%	0.358	15%	0.147	S	C	.	.	S	Bend	trans	-136.5	-8.5	-174.8	-60.9	96.3	0	0	0	114	S318 K335 L336	S318-N320 PolarHBondContact O-N 2.84Å; S318-N320 VanDerWaalsContact O-N 3.11Å; S318-N320 PolarHBondContact OG-N 2.84Å; N320-K335 CarbonylContact O-C 3.59Å; N320-K335 VanDerWaalsContact O-CA 3.31Å; N320-K335 WeakPolarHBondContact O-CA 3.26Å; N320-K335 WeakPolarHBondContact O-CG 3.49Å; N320-L336 HydrophobicContact CB-CB 4.49Å; N320-L336 PolarHBondContact O-N 3.2Å
321	T	98.8	Very high	98.5	Very high	13 Å²	13	25.2 Å²	25.2	8%	0.08	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	135.8	179	-49.7	0	0	0	0	108.3	Q317 S318 V333 C334	Q317-T321 HydrophobicContact CB-CG2 4.24Å; Q317-T321 WeakPolarHBondContact CB-O 3.34Å; Q317-T321 PolarHBondContact N-O 2.65Å; Q317-T321 VanDerWaalsContact OE1-CG2 3.25Å; S318-T321 PolarHBondContact N-O 2.85Å; S318-T321 WeakPolarHBondContact OG-CB 3.47Å; S318-T321 PolarHBondContact OG-N 3.5Å; S318-T321 VanDerWaalsContact OG-N 3.08Å; S318-T321 PolarHBondContact OG-OG1 3.45Å; T321-V333 HydrophobicContact CG2-CG1 3.83Å; T321-C334 CarbonylContact C-O 3.57Å; T321-C334 VanDerWaalsContact CA-O 3.27Å; T321-C334 WeakPolarHBondContact CA-O 3.29Å; T321-C334 VanDerWaalsContact CG2-O 3.3Å; T321-C334 WeakPolarHBondContact CG2-O 3.16Å
322	F	98.9	Very high	98.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	168.6	179.5	68	-86.8	0	0	0	110.2	L282 T290 I292 F304 V314 D315 W316 V333 C334	L282-F322 HydrophobicContact CD1-CD1 4.25Å; L282-F322 HydrophobicContact CD1-CD2 3.95Å; L282-F322 HydrophobicContact CD1-CE1 4.11Å; L282-F322 HydrophobicContact CD1-CE2 3.79Å; L282-F322 HydrophobicContact CD1-CG 4.17Å; L282-F322 HydrophobicContact CD1-CZ 3.86Å; L282-F322 HydrophobicContact CD2-CB 3.47Å; L282-F322 VanDerWaalsContact CD2-CB 3.47Å; L282-F322 HydrophobicContact CD2-CD1 4.15Å; L282-F322 HydrophobicContact CD2-CD2 3.45Å; L282-F322 VanDerWaalsContact CD2-CD2 3.45Å; L282-F322 HydrophobicContact CD2-CE2 4.15Å; L282-F322 HydrophobicContact CD2-CG 3.43Å; L282-F322 VanDerWaalsContact CD2-CG 3.43Å; L282-F322 HydrophobicContact CG-CD2 4.33Å; L282-F322 HydrophobicContact CG-CG 4.46Å; T290-F322 HydrophobicContact CG2-CE2 4.2Å; T290-F322 WeakPolarHBondContact OG1-CE2 3.4Å; T290-F322 VanDerWaalsContact OG1-CZ 3.3Å; T290-F322 WeakPolarHBondContact OG1-CZ 3.34Å; I292-F322 HydrophobicContact CD1-CD1 4.01Å; I292-F322 HydrophobicContact CD1-CE1 3.74Å; I292-F322 HydrophobicContact CG1-CE1 4.15Å; F304-F322 HydrophobicContact CD1-CZ 4.37Å; F304-F322 HydrophobicContact CD2-CE1 4.05Å; F304-F322 AromaticContact CD2-CZ 3.72Å; F304-F322 HydrophobicContact CD2-CZ 3.72Å; F304-F322 HydrophobicContact CE1-CE1 4.31Å; F304-F322 AromaticContact CE2-CE1 3.78Å; F304-F322 HydrophobicContact CE2-CE1 3.78Å; F304-F322 AromaticContact CE2-CZ 3.95Å; F304-F322 HydrophobicContact CE2-CZ 3.95Å; F304-F322 HydrophobicContact CG-CE1 4.45Å; F304-F322 AromaticContact CG-CZ 3.95Å; F304-F322 HydrophobicContact CG-CZ 3.95Å; F304-F322 AromaticContact CZ-CE1 3.91Å; F304-F322 HydrophobicContact CZ-CE1 3.91Å; F304-F322 HydrophobicContact CZ-CZ 4.35Å; V314-F322 HydrophobicContact CG1-CD2 4.47Å; D315-F322 CarbonylContact O-C 3.57Å; D315-F322 VanDerWaalsContact O-CA 3.27Å; D315-F322 WeakPolarHBondContact O-CA 3.18Å; D315-F322 WeakPolarHBondContact O-CB 3.27Å; W316-F322 HydrophobicContact CD2-CB 4.27Å; W316-F322 HydrophobicContact CE3-CB 3.84Å; W316-F322 HydrophobicContact CZ3-CB 4.29Å; W316-F322 HydrophobicContact CZ3-CD1 4.28Å; F322-V333 CarbonylContact O-C 3.57Å; F322-V333 WeakPolarHBondContact O-CA 3.32Å; F322-C334 HydrophobicContact CD1-CB 3.93Å; F322-C334 HydrophobicContact CD2-CB 4.13Å; F322-C334 HydrophobicContact CE1-CB 3.38Å; F322-C334 HydrophobicContact CE2-CB 3.62Å; F322-C334 HydrophobicContact CG-CB 4.28Å; F322-C334 HydrophobicContact CZ-CB 3.22Å; F322-C334 PolarHBondContact N-O 2.64Å; F322-C334 PolarHBondContact O-N 2.64Å
323	A	98.9	Very high	98.6	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.5	165.2	0	0	0	0	0	110.2	V314 D315 I331 H332 V333 I355 W357 L364	V314-A323 WeakPolarHBondContact CA-O 3.46Å; D315-A323 PolarHBondContact N-O 3.07Å; D315-A323 PolarHBondContact O-N 3.38Å; A323-I331 HydrophobicContact CB-CG2 4.37Å; A323-H332 CarbonylContact C-O 3.57Å; A323-H332 WeakPolarHBondContact CA-O 3.19Å; A323-V333 HydrophobicContact CB-CG2 4.25Å; A323-I355 HydrophobicContact CB-CD1 3.57Å; A323-I355 WeakPolarHBondContact O-CD1 3.23Å; A323-W357 HydrophobicContact CB-CZ2 3.99Å; A323-L364 HydrophobicContact CB-CD1 4.24Å; A323-L364 HydrophobicContact CB-CD2 3.67Å
324	S	98.9	Very high	98.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.7	171.4	62.6	0	0	0	0	110.5	H307 D313 I331 H332	H307-S324 PolarHBondContact CD2-OG 3.12Å; H307-S324 PolarHBondContact NE2-O 2.83Å; H307-S324 PolarHBondContact NE2-OG 3.28Å; D313-S324 WeakPolarHBondContact O-CA 3.49Å; S324-I331 CarbonylContact O-C 3.58Å; S324-I331 VanDerWaalsContact O-CA 3.27Å; S324-I331 WeakPolarHBondContact O-CA 3.36Å; S324-I331 WeakPolarHBondContact O-CG2 3.38Å; S324-H332 PolarHBondContact N-O 3.02Å; S324-H332 PolarHBondContact O-N 2.91Å
325	C	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	164.7	175.1	70.1	0	0	0	0	111.8	A311 L312 D313 I331 V352 I355	A311-C325 WeakPolarHBondContact CA-O 3.45Å; L312-C325 PolarHBondContact N-O 2.8Å; D313-C325 PolarHBondContact O-N 3.29Å; D313-C325 VanDerWaalsContact O-N 3.13Å; C325-I331 HydrophobicContact CB-CG1 3.95Å; C325-V352 HydrophobicContact CB-CB 3.83Å; C325-V352 HydrophobicContact CB-CG1 3.54Å; C325-V352 PolarHBondContact SG-O 3.23Å; C325-I355 HydrophobicContact CB-CD1 4.19Å; C325-I355 HydrophobicContact CB-CG1 4.25Å; C325-I355 HydrophobicContact CB-CG2 3.64Å
326	S	98.7	Very high	98.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	162.7	-167.4	174.1	0	0	0	0	113.1	H307 A309 P310 D328 M329 C330 V352	H307-S326 VanDerWaalsContact CE1-CB 3.49Å; H307-S326 WeakPolarHBondContact CE1-CB 3.3Å; H307-S326 WeakPolarHBondContact ND1-CB 3.5Å; A309-S326 PolarHBondContact O-OG 2.64Å; A309-S326 VanDerWaalsContact O-OG 3.11Å; P310-S326 VanDerWaalsContact O-CA 3.26Å; P310-S326 WeakPolarHBondContact O-CA 3.47Å; P310-S326 WeakPolarHBondContact O-CB 3.44Å; P310-S326 PolarHBondContact O-OG 3.1Å; S326-D328 VanDerWaalsContact CB-OD1 3.26Å; S326-D328 WeakPolarHBondContact CB-OD1 3.45Å; S326-D328 PolarHBondContact O-N 3.36Å; S326-D328 VanDerWaalsContact O-N 3.15Å; S326-D328 PolarHBondContact OG-N 3.01Å; S326-D328 VanDerWaalsContact OG-N 3.08Å; S326-D328 PolarHBondContact OG-OD1 3.14Å; S326-M329 PolarHBondContact O-N 2.85Å; S326-C330 PolarHBondContact N-O 3.02Å; S326-V352 PolarHBondContact O-N 3.05Å
327	T	96.7	Very high	98.6	Very high	53 Å²	53	30 Å²	30	33%	0.325	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-21.2	161.9	-48.2	0	0	0	0	113.3	A309 P310 M329 E351	A309-T327 HydrophobicContact CB-CG2 4.32Å; P310-T327 PolarHBondContact O-N 2.77Å; T327-M329 PolarHBondContact O-N 2.95Å; T327-M329 VanDerWaalsContact O-N 3.16Å; T327-E351 WeakPolarHBondContact CB-OE2 3.26Å; T327-E351 WeakPolarHBondContact CG2-OE2 3.43Å; T327-E351 PolarHBondContact OG1-OE2 3.02Å
328	D	97.9	Very high	98.6	Very high	18 Å²	18	31 Å²	31	10%	0.096	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	10.2	176.7	72.3	11.6	0	0	0	114.9	H307 S308 A309 S326 C330	H307-D328 VanDerWaalsContact CA-OD2 3.29Å; H307-D328 WeakPolarHBondContact CA-OD2 3.26Å; H307-D328 WeakPolarHBondContact CB-OD2 3.45Å; H307-D328 IonicContact CE1-OD1 3.16Å; H307-D328 IonicContact CG-OD2 3.23Å; H307-D328 IonicContact ND1-OD1 2.62Å; H307-D328 PolarHBondContact ND1-OD1 2.59Å; H307-D328 IonicContact ND1-OD2 2.6Å; H307-D328 PolarHBondContact ND1-OD2 3.04Å; S308-D328 PolarHBondContact N-OD2 3.42Å; S308-D328 WeakPolarHBondContact OG-CB 3.19Å; S308-D328 PolarHBondContact OG-OD2 3.48Å; A309-D328 HydrophobicContact CB-CB 3.79Å; S326-D328 VanDerWaalsContact CB-OD1 3.26Å; S326-D328 WeakPolarHBondContact CB-OD1 3.45Å; S326-D328 PolarHBondContact O-N 3.36Å; S326-D328 VanDerWaalsContact O-N 3.15Å; S326-D328 PolarHBondContact OG-N 3.01Å; S326-D328 VanDerWaalsContact OG-N 3.08Å; S326-D328 PolarHBondContact OG-OD1 3.14Å; D328-C330 PolarHBondContact O-N 3.29Å; D328-C330 VanDerWaalsContact O-N 3.12Å; D328-C330 PolarHBondContact O-SG 3.31Å; D328-C330 VanDerWaalsContact OD1-CB 3.25Å; D328-C330 WeakPolarHBondContact OD1-CB 3.48Å; D328-C330 PolarHBondContact OD1-N 3.35Å
329	M	98.5	Very high	98.5	Very high	84 Å²	84	34.9 Å²	34.9	41%	0.414	20%	0.195	S	C	.	.	S	Bend	trans	68.8	2.5	176.9	-42.5	171.3	-79	0	0	114.1	S326 T327 T349 N350	S326-M329 PolarHBondContact O-N 2.85Å; T327-M329 PolarHBondContact O-N 2.95Å; T327-M329 VanDerWaalsContact O-N 3.16Å; M329-T349 VanDerWaalsContact SD-C 3.52Å; M329-N350 WeakPolarHBondContact CG-O 3.45Å
330	C	98.6	Very high	98.5	Very high	21 Å²	21	41.6 Å²	41.6	14%	0.142	22%	0.217	C	C	.	.			trans	-103.2	155.7	-177.1	-61.1	0	0	0	0	112	H307 S326 D328 T344	H307-C330 PolarHBondContact CE1-O 2.77Å; S326-C330 PolarHBondContact N-O 3.02Å; D328-C330 PolarHBondContact O-N 3.29Å; D328-C330 VanDerWaalsContact O-N 3.12Å; D328-C330 PolarHBondContact O-SG 3.31Å; D328-C330 VanDerWaalsContact OD1-CB 3.25Å; D328-C330 WeakPolarHBondContact OD1-CB 3.48Å; D328-C330 PolarHBondContact OD1-N 3.35Å; C330-T344 HydrophobicContact CB-CG2 4.34Å
331	I	98.9	Very high	98.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.7	170.4	-54.8	165.1	0	0	0	108.3	A323 S324 C325 T344 F345 V352 I355 L364 S366 W376	A323-I331 HydrophobicContact CB-CG2 4.37Å; S324-I331 CarbonylContact O-C 3.58Å; S324-I331 VanDerWaalsContact O-CA 3.27Å; S324-I331 WeakPolarHBondContact O-CA 3.36Å; S324-I331 WeakPolarHBondContact O-CG2 3.38Å; C325-I331 HydrophobicContact CB-CG1 3.95Å; I331-T344 CarbonylContact O-C 3.57Å; I331-T344 WeakPolarHBondContact O-CA 3.32Å; I331-F345 HydrophobicContact CB-CB 4.21Å; I331-F345 HydrophobicContact CG2-CD2 4.38Å; I331-F345 PolarHBondContact N-O 3.5Å; I331-F345 VanDerWaalsContact N-O 3.09Å; I331-F345 PolarHBondContact O-N 3.45Å; I331-V352 HydrophobicContact CD1-CG1 4.2Å; I331-V352 HydrophobicContact CG1-CG1 4.15Å; I331-I355 HydrophobicContact CD1-CG2 3.9Å; I331-I355 HydrophobicContact CG1-CG2 4.14Å; I331-I355 HydrophobicContact CG2-CD1 4.28Å; I331-I355 HydrophobicContact CG2-CG2 4.22Å; I331-L364 HydrophobicContact CG2-CD2 3.71Å; I331-S366 VanDerWaalsContact CD1-CB 3.4Å; I331-W376 HydrophobicContact CD1-CZ2 4.3Å
332	H	98.9	Very high	98.5	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.065	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	131	177.8	-62.9	-46.2	0	0	0	110.6	F306 H307 A323 S324 P341 T344	F306-H332 PolarHBondContact O-NE2 3.09Å; H307-H332 AromaticContact CD2-CD2 3.86Å; H307-H332 AromaticContact CE1-CD2 3.27Å; H307-H332 PolarHBondContact CE1-CD2 3.26Å; H307-H332 AromaticContact CE1-NE2 3.84Å; H307-H332 AromaticContact CG-CD2 3.75Å; H307-H332 AromaticContact ND1-CD2 3.38Å; H307-H332 PolarHBondContact ND1-CD2 2.7Å; H307-H332 AromaticContact ND1-NE2 3.56Å; H307-H332 AromaticContact NE2-CD2 3.55Å; A323-H332 CarbonylContact C-O 3.57Å; A323-H332 WeakPolarHBondContact CA-O 3.19Å; S324-H332 PolarHBondContact N-O 3.02Å; S324-H332 PolarHBondContact O-N 2.91Å; H332-P341 HydrophobicContact CB-CB 4.32Å; H332-P341 HydrophobicContact CB-CG 4.41Å; H332-T344 VanDerWaalsContact CE1-CG2 3.45Å; H332-T344 WeakPolarHBondContact CE1-CG2 3.25Å; H332-T344 PolarHBondContact CE1-OG1 2.74Å; H332-T344 VanDerWaalsContact ND1-CG2 3.33Å; H332-T344 WeakPolarHBondContact ND1-CG2 3.44Å; H332-T344 PolarHBondContact ND1-OG1 2.7Å
333	V	98.9	Very high	98.5	Very high	1 Å²	1	45 Å²	45	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.3	167.8	-177.2	0	0	0	0	108.1	T321 F322 A323 P341 I342 K343 F345 W357 M378	T321-V333 HydrophobicContact CG2-CG1 3.83Å; F322-V333 CarbonylContact O-C 3.57Å; F322-V333 WeakPolarHBondContact O-CA 3.32Å; A323-V333 HydrophobicContact CB-CG2 4.25Å; V333-P341 CarbonylContact O-C 3.52Å; V333-I342 HydrophobicContact CG1-CB 4.49Å; V333-I342 WeakPolarHBondContact O-CB 3.43Å; V333-I342 PolarHBondContact O-N 3Å; V333-K343 HydrophobicContact CB-CB 4.3Å; V333-K343 PolarHBondContact N-O 3.11Å; V333-K343 PolarHBondContact O-N 2.62Å; V333-F345 HydrophobicContact CG2-CD2 4.26Å; V333-F345 HydrophobicContact CG2-CE2 3.79Å; V333-W357 HydrophobicContact CG1-CZ2 4.16Å; V333-W357 HydrophobicContact CG2-CH2 4.29Å; V333-W357 HydrophobicContact CG2-CZ2 4Å; V333-M378 HydrophobicContact CB-CE 4.19Å; V333-M378 HydrophobicContact CB-SD 4.14Å; V333-M378 HydrophobicContact CG1-CE 3.94Å; V333-M378 HydrophobicContact CG1-SD 4.04Å; V333-M378 HydrophobicContact CG2-CE 4.45Å; V333-M378 HydrophobicContact CG2-SD 3.76Å
334	C	98.8	Very high	98.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.7	-168.7	-61.8	0	0	0	0	110.3	F304 F306 T321 F322	F304-C334 HydrophobicContact CD1-CB 4.21Å; F304-C334 HydrophobicContact CE1-CB 4.42Å; F306-C334 VanDerWaalsContact CD2-SG 3.53Å; T321-C334 CarbonylContact C-O 3.57Å; T321-C334 VanDerWaalsContact CA-O 3.27Å; T321-C334 WeakPolarHBondContact CA-O 3.29Å; T321-C334 VanDerWaalsContact CG2-O 3.3Å; T321-C334 WeakPolarHBondContact CG2-O 3.16Å; F322-C334 HydrophobicContact CD1-CB 3.93Å; F322-C334 HydrophobicContact CD2-CB 4.13Å; F322-C334 HydrophobicContact CE1-CB 3.38Å; F322-C334 HydrophobicContact CE2-CB 3.62Å; F322-C334 HydrophobicContact CG-CB 4.28Å; F322-C334 HydrophobicContact CZ-CB 3.22Å; F322-C334 PolarHBondContact N-O 2.64Å; F322-C334 PolarHBondContact O-N 2.64Å
335	K	98.8	Very high	98.4	Very high	92 Å²	92	47.2 Å²	47.2	40%	0.4	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137	177.9	-172.9	177.6	-177.6	178.8	0	110.8	N320 G337 Q338 I342	N320-K335 CarbonylContact O-C 3.59Å; N320-K335 VanDerWaalsContact O-CA 3.31Å; N320-K335 WeakPolarHBondContact O-CA 3.26Å; N320-K335 WeakPolarHBondContact O-CG 3.49Å; K335-G337 PolarHBondContact O-N 2.87Å; K335-Q338 HydrophobicContact CB-CG 3.99Å; K335-Q338 HydrophobicContact CG-CG 4.48Å; K335-Q338 WeakPolarHBondContact O-CB 3.14Å; K335-Q338 PolarHBondContact O-N 3.25Å; K335-I342 HydrophobicContact CB-CD1 3.91Å; K335-I342 HydrophobicContact CB-CG1 3.78Å; K335-I342 HydrophobicContact CD-CD1 4.47Å
336	L	98.5	Very high	98.4	Very high	35 Å²	35	53.7 Å²	53.7	18%	0.183	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	131.7	175.1	-174.5	70.4	0	0	0	111.1	F280 I292 K301 Q302 N320	F280-L336 HydrophobicContact CE2-CD2 3.8Å; F280-L336 HydrophobicContact CZ-CD2 3.85Å; I292-L336 HydrophobicContact CB-CD1 4.42Å; I292-L336 HydrophobicContact CD1-CB 4.09Å; I292-L336 HydrophobicContact CD1-CD1 4.02Å; I292-L336 HydrophobicContact CG2-CD1 4.27Å; K301-L336 HydrophobicContact CD-CD1 3.98Å; K301-L336 HydrophobicContact CD-CD2 3.83Å; K301-L336 HydrophobicContact CG-CD1 4.1Å; Q302-L336 HydrophobicContact CB-CD1 3.93Å; N320-L336 HydrophobicContact CB-CB 4.49Å; N320-L336 PolarHBondContact O-N 3.2Å
337	G	98.4	Very high	98.4	Very high	61 Å²	61	55.7 Å²	55.7	63%	0.629	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	0	-176.5	0	0	0	0	0	114.9	K335	K335-G337 PolarHBondContact O-N 2.87Å
338	Q	98.5	Very high	98.5	Very high	90 Å²	90	53.7 Å²	53.7	42%	0.421	29%	0.285	S	S	.	.			trans	-104.8	132.9	174.3	-56	-64	-58.8	0	0	109.8	Q302 K335 R340 I342	Q302-Q338 PolarHBondContact NE2-O 2.8Å; K335-Q338 HydrophobicContact CB-CG 3.99Å; K335-Q338 HydrophobicContact CG-CG 4.48Å; K335-Q338 WeakPolarHBondContact O-CB 3.14Å; K335-Q338 PolarHBondContact O-N 3.25Å; Q338-R340 VanDerWaalsContact C-N 3.35Å; Q338-I342 HydrophobicContact CB-CD1 4.37Å; Q338-I342 HydrophobicContact CG-CD1 3.83Å
339	D	97.3	Very high	98.5	Very high	131 Å²	131	58.1 Å²	58.1	70%	0.701	31%	0.313	S	S	*	.	S	Bend	trans	-94.2	5.9	-179.3	66.7	-8.5	0	0	0	113.1	F306	F306-D339 VanDerWaalsContact CE1-O 3.25Å; F306-D339 WeakPolarHBondContact CE1-O 3.26Å; F306-D339 WeakPolarHBondContact CZ-O 3.39Å
340	R	98.1	Very high	98.5	Very high	191 Å²	191	57.8 Å²	57.8	72%	0.721	31%	0.313	S	S	*	.	S	Bend	trans	-136.7	154	173	-64.7	-177.7	-179	-124.5	-1.9	109.9	Q338 I342	Q338-R340 VanDerWaalsContact C-N 3.35Å; R340-I342 PolarHBondContact O-N 3.2Å
341	P	98.4	Very high	98.4	Very high	39 Å²	39	59 Å²	59	25%	0.253	32%	0.317	S	S	.	.			trans	-55.4	138.3	169.9	-19.9	29.1	0	0	0	110.7	F306 H332 V333	F306-P341 HydrophobicContact CB-CG 4.11Å; F306-P341 HydrophobicContact CD1-CG 4.33Å; F306-P341 HydrophobicContact CD2-CB 4.37Å; F306-P341 HydrophobicContact CD2-CG 3.55Å; F306-P341 HydrophobicContact CE2-CG 3.97Å; F306-P341 HydrophobicContact CG-CG 3.76Å; H332-P341 HydrophobicContact CB-CB 4.32Å; H332-P341 HydrophobicContact CB-CG 4.41Å; V333-P341 CarbonylContact O-C 3.52Å
342	I	98.4	Very high	98.4	Very high	83 Å²	83	59 Å²	59	43%	0.426	32%	0.317	S	S	.	.	S	Bend	trans	-62.7	-38.7	167.8	-58.2	-58.7	0	0	0	109.8	V333 K335 Q338 R340 M378	V333-I342 HydrophobicContact CG1-CB 4.49Å; V333-I342 WeakPolarHBondContact O-CB 3.43Å; V333-I342 PolarHBondContact O-N 3Å; K335-I342 HydrophobicContact CB-CD1 3.91Å; K335-I342 HydrophobicContact CB-CG1 3.78Å; K335-I342 HydrophobicContact CD-CD1 4.47Å; Q338-I342 HydrophobicContact CB-CD1 4.37Å; Q338-I342 HydrophobicContact CG-CD1 3.83Å; R340-I342 PolarHBondContact O-N 3.2Å; I342-M378 HydrophobicContact CG2-CE 3.76Å
343	K	98.5	Very high	98.4	Very high	30 Å²	30	59.7 Å²	59.7	13%	0.13	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.5	177.6	-166.8	172.2	-178.9	71.7	0	109.9	V333 F345 M378 Q380 D381	V333-K343 HydrophobicContact CB-CB 4.3Å; V333-K343 PolarHBondContact N-O 3.11Å; V333-K343 PolarHBondContact O-N 2.62Å; K343-F345 HydrophobicContact CD-CD1 4.27Å; K343-F345 HydrophobicContact CD-CE1 3.56Å; K343-F345 HydrophobicContact CD-CE2 4.35Å; K343-F345 HydrophobicContact CD-CZ 3.59Å; K343-F345 HydrophobicContact CG-CE1 4.33Å; K343-F345 HydrophobicContact CG-CZ 4.41Å; K343-M378 HydrophobicContact CB-CE 3.55Å; K343-M378 HydrophobicContact CB-SD 4.07Å; K343-M378 HydrophobicContact CD-CE 3.88Å; K343-M378 HydrophobicContact CD-SD 3.7Å; K343-M378 HydrophobicContact CG-CE 4.37Å; K343-M378 HydrophobicContact CG-SD 4.5Å; K343-Q380 WeakPolarHBondContact CE-O 3.49Å; K343-Q380 PolarHBondContact NZ-O 3.27Å; K343-Q380 VanDerWaalsContact NZ-O 3.16Å; K343-D381 IonicContact NZ-OD1 3.44Å; K343-D381 PolarHBondContact NZ-OD1 2.82Å
344	T	98.7	Very high	98.3	Very high	46 Å²	46	60 Å²	60	28%	0.282	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	123.5	169.1	-60.5	0	0	0	0	108.3	C330 I331 H332 Q346	C330-T344 HydrophobicContact CB-CG2 4.34Å; I331-T344 CarbonylContact O-C 3.57Å; I331-T344 WeakPolarHBondContact O-CA 3.32Å; H332-T344 VanDerWaalsContact CE1-CG2 3.45Å; H332-T344 WeakPolarHBondContact CE1-CG2 3.25Å; H332-T344 PolarHBondContact CE1-OG1 2.74Å; H332-T344 VanDerWaalsContact ND1-CG2 3.33Å; H332-T344 WeakPolarHBondContact ND1-CG2 3.44Å; H332-T344 PolarHBondContact ND1-OG1 2.7Å; T344-Q346 HydrophobicContact CG2-CG 4.07Å
345	F	98.8	Very high	98.3	Very high	1 Å²	1	60 Å²	60	0%	0.004	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	132.1	171	-62.3	-65.5	0	0	0	109.4	I331 V333 K343 L364 W376 S377 M378	I331-F345 HydrophobicContact CB-CB 4.21Å; I331-F345 HydrophobicContact CG2-CD2 4.38Å; I331-F345 PolarHBondContact N-O 3.5Å; I331-F345 VanDerWaalsContact N-O 3.09Å; I331-F345 PolarHBondContact O-N 3.45Å; V333-F345 HydrophobicContact CG2-CD2 4.26Å; V333-F345 HydrophobicContact CG2-CE2 3.79Å; K343-F345 HydrophobicContact CD-CD1 4.27Å; K343-F345 HydrophobicContact CD-CE1 3.56Å; K343-F345 HydrophobicContact CD-CE2 4.35Å; K343-F345 HydrophobicContact CD-CZ 3.59Å; K343-F345 HydrophobicContact CG-CE1 4.33Å; K343-F345 HydrophobicContact CG-CZ 4.41Å; F345-L364 HydrophobicContact CD2-CD2 4.25Å; F345-L364 HydrophobicContact CE2-CD2 4.16Å; F345-W376 HydrophobicContact CB-CD2 3.79Å; F345-W376 HydrophobicContact CB-CE3 3.58Å; F345-W376 HydrophobicContact CB-CG 4.4Å; F345-W376 HydrophobicContact CB-CH2 4.14Å; F345-W376 HydrophobicContact CB-CZ2 4.33Å; F345-W376 HydrophobicContact CB-CZ3 3.77Å; F345-W376 HydrophobicContact CD1-CB 4.01Å; F345-W376 AromaticContact CD1-CD2 3.95Å; F345-W376 HydrophobicContact CD1-CD2 3.95Å; F345-W376 AromaticContact CD1-CE3 3.42Å; F345-W376 HydrophobicContact CD1-CE3 3.42Å; F345-W376 VanDerWaalsContact CD1-CE3 3.42Å; F345-W376 HydrophobicContact CD1-CG 4.22Å; F345-W376 HydrophobicContact CD1-CZ3 4.16Å; F345-W376 HydrophobicContact CD2-CB 3.98Å; F345-W376 HydrophobicContact CD2-CD2 4.34Å; F345-W376 HydrophobicContact CD2-CG 4.09Å; F345-W376 HydrophobicContact CE1-CB 3.78Å; F345-W376 HydrophobicContact CE1-CE3 4.2Å; F345-W376 HydrophobicContact CE1-CG 4.48Å; F345-W376 HydrophobicContact CE2-CB 3.78Å; F345-W376 HydrophobicContact CE2-CG 4.39Å; F345-W376 HydrophobicContact CG-CB 4.09Å; F345-W376 AromaticContact CG-CD2 3.8Å; F345-W376 HydrophobicContact CG-CD2 3.8Å; F345-W376 AromaticContact CG-CE3 3.65Å; F345-W376 HydrophobicContact CG-CE3 3.65Å; F345-W376 HydrophobicContact CG-CG 4.01Å; F345-W376 HydrophobicContact CG-CZ3 4.3Å; F345-W376 HydrophobicContact CZ-CB 3.67Å; F345-S377 WeakPolarHBondContact CE1-O 3.37Å; F345-M378 HydrophobicContact CE2-SD 4.15Å; F345-M378 HydrophobicContact CZ-SD 3.9Å
346	Q	98.4	Very high	98.3	Very high	137 Å²	137	57 Å²	57	64%	0.64	31%	0.311	S	S	*	.			trans	-131.9	143	178.1	-70.3	173.8	95.1	0	0	108.3	T344	T344-Q346 HydrophobicContact CG2-CG 4.07Å
347	G	97.8	Very high	98.4	Very high	41 Å²	41	56.2 Å²	56.2	42%	0.423	31%	0.305	S	S	.	.			trans	154.2	-19.5	179.3	0	0	0	0	0	113.9	K374	G347-K374 VanDerWaalsContact O-CE 3.29Å; G347-K374 WeakPolarHBondContact O-CE 3.25Å
348	H	98.6	Very high	98.4	Very high	11 Å²	11	53.7 Å²	53.7	5%	0.051	28%	0.278	C	S	.	.			trans	-67.6	151	163.6	-80.5	-61.4	0	0	0	110.5	V352 S366 S368 D370 T372	H348-V352 HydrophobicContact CB-CG2 3.82Å; H348-S366 PolarHBondContact CD2-OG 3.16Å; H348-S366 PolarHBondContact NE2-OG 2.62Å; H348-S368 VanDerWaalsContact CE1-CB 3.47Å; H348-S368 WeakPolarHBondContact CE1-CB 3.44Å; H348-S368 WeakPolarHBondContact ND1-CB 3.27Å; H348-D370 WeakPolarHBondContact CA-OD2 3.33Å; H348-D370 WeakPolarHBondContact CB-OD2 3.4Å; H348-D370 IonicContact CE1-OD1 3.77Å; H348-D370 IonicContact CG-OD2 2.7Å; H348-D370 IonicContact ND1-OD1 2.64Å; H348-D370 PolarHBondContact ND1-OD1 3.31Å; H348-D370 IonicContact ND1-OD2 3.12Å; H348-D370 PolarHBondContact ND1-OD2 2.91Å; H348-T372 PolarHBondContact CE1-OG1 3.34Å; H348-T372 PolarHBondContact ND1-OG1 3.17Å
349	T	98.5	Very high	98.3	Very high	111 Å²	111	52 Å²	52	68%	0.681	27%	0.274	S	S	*	.	S	Bend	trans	-118.3	7.3	-176.4	58.1	0	0	0	0	113.1	M329 D370	M329-T349 VanDerWaalsContact SD-C 3.52Å; T349-D370 PolarHBondContact N-OD2 2.74Å; T349-D370 VanDerWaalsContact OG1-CB 3.31Å; T349-D370 WeakPolarHBondContact OG1-CB 3.38Å
350	N	97.7	Very high	98.3	Very high	77 Å²	77	48.6 Å²	48.6	41%	0.412	26%	0.258	S	S	.	.	S	Bend	trans	-151.7	-177.7	172.8	-153.2	-12.8	0	0	0	109.9	M329 V352 S368 D369 D370	M329-N350 WeakPolarHBondContact CG-O 3.45Å; N350-V352 PolarHBondContact O-N 3.41Å; N350-S368 PolarHBondContact O-OG 3.47Å; N350-D369 HydrophobicContact CB-CB 3.94Å; N350-D369 WeakPolarHBondContact ND2-CB 3.33Å; N350-D370 HydrophobicContact CB-CB 3.88Å
351	E	98.1	Very high	98.3	Very high	48 Å²	48	39.8 Å²	39.8	22%	0.224	23%	0.227	C	C	.	.			trans	-47.8	134.2	179	177	158.8	128.6	0	0	112.6	L312 T327 S368 D369	L312-E351 HydrophobicContact CD1-CG 3.29Å; L312-E351 WeakPolarHBondContact CD1-OE1 3.33Å; T327-E351 WeakPolarHBondContact CB-OE2 3.26Å; T327-E351 WeakPolarHBondContact CG2-OE2 3.43Å; T327-E351 PolarHBondContact OG1-OE2 3.02Å; E351-S368 CarbonylContact O-C 3.53Å; E351-S368 WeakPolarHBondContact O-CA 3.45Å; E351-S368 WeakPolarHBondContact O-CB 3.23Å; E351-S368 PolarHBondContact O-OG 3.16Å; E351-D369 HydrophobicContact CB-CB 4.49Å; E351-D369 PolarHBondContact O-N 2.95Å
352	V	98.7	Very high	98.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	106.2	177.1	-174.8	0	0	0	0	108.9	C325 S326 I331 H348 N350 I355 C367	C325-V352 HydrophobicContact CB-CB 3.83Å; C325-V352 HydrophobicContact CB-CG1 3.54Å; C325-V352 PolarHBondContact SG-O 3.23Å; S326-V352 PolarHBondContact O-N 3.05Å; I331-V352 HydrophobicContact CD1-CG1 4.2Å; I331-V352 HydrophobicContact CG1-CG1 4.15Å; H348-V352 HydrophobicContact CB-CG2 3.82Å; N350-V352 PolarHBondContact O-N 3.41Å; V352-I355 HydrophobicContact CG1-CG2 4.16Å; V352-C367 CarbonylContact C-O 3.53Å; V352-C367 WeakPolarHBondContact CG1-O 3.48Å
353	N	97.7	Very high	98.3	Very high	28 Å²	28	40.2 Å²	40.2	15%	0.15	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	-39.1	-169.8	-65.4	-36.7	0	0	0	113.5	C367 D369 I394	N353-C367 PolarHBondContact N-O 2.98Å; N353-D369 PolarHBondContact ND2-OD1 3.47Å; N353-I394 PolarHBondContact ND2-O 3.27Å
354	A	98.5	Very high	98.3	Very high	9 Å²	9	38.8 Å²	38.8	7%	0.074	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	149	-177	0	0	0	0	0	112.5	D313 S366 C367 I397	D313-A354 VanDerWaalsContact OD2-CA 3.27Å; D313-A354 WeakPolarHBondContact OD2-CA 3.01Å; A354-S366 VanDerWaalsContact O-CA 3.31Å; A354-S366 WeakPolarHBondContact O-CA 3.39Å; A354-C367 PolarHBondContact O-N 3.38Å; A354-C367 VanDerWaalsContact O-N 3.09Å; A354-I397 HydrophobicContact CB-CG1 4.02Å
355	I	98.9	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	140	172.9	54.2	166.8	0	0	0	111.3	D313 A323 C325 I331 V352 L364 A365	D313-I355 HydrophobicContact CB-CG1 4.49Å; D313-I355 PolarHBondContact OD2-N 3.09Å; A323-I355 HydrophobicContact CB-CD1 3.57Å; A323-I355 WeakPolarHBondContact O-CD1 3.23Å; C325-I355 HydrophobicContact CB-CD1 4.19Å; C325-I355 HydrophobicContact CB-CG1 4.25Å; C325-I355 HydrophobicContact CB-CG2 3.64Å; I331-I355 HydrophobicContact CD1-CG2 3.9Å; I331-I355 HydrophobicContact CG1-CG2 4.14Å; I331-I355 HydrophobicContact CG2-CD1 4.28Å; I331-I355 HydrophobicContact CG2-CG2 4.22Å; V352-I355 HydrophobicContact CG1-CG2 4.16Å; I355-L364 HydrophobicContact CB-CD1 4.06Å; I355-A365 CarbonylContact C-O 3.45Å; I355-A365 WeakPolarHBondContact CA-O 3.42Å
356	K	98.9	Very high	98.3	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.126	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	126.7	176.9	-64	-67.1	165.7	-84.7	0	111.6	D313 D315 A365 W399	D313-K356 VanDerWaalsContact CG-NZ 3.29Å; D313-K356 IonicContact OD1-NZ 2.9Å; D313-K356 PolarHBondContact OD1-NZ 2.95Å; D313-K356 VanDerWaalsContact OD1-NZ 3.16Å; D313-K356 IonicContact OD2-NZ 3.61Å; D313-K356 PolarHBondContact OD2-NZ 3.49Å; D315-K356 HydrophobicContact CB-CD 4.44Å; D315-K356 WeakPolarHBondContact OD2-CA 3.08Å; K356-A365 PolarHBondContact N-O 3.12Å; K356-A365 PolarHBondContact O-N 2.57Å; K356-W399 PolarHBondContact O-NE1 3.02Å
357	W	98.8	Very high	98.3	Very high	17 Å²	17	30 Å²	30	6%	0.064	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	141.7	168.3	-71.1	98.7	0	0	0	109.5	D315 Q317 A323 V333 L363 L364 M378	D315-W357 PolarHBondContact O-NE1 2.78Å; D315-W357 PolarHBondContact OD2-N 2.83Å; Q317-W357 HydrophobicContact CB-CD2 3.81Å; Q317-W357 VanDerWaalsContact CB-CE2 3.47Å; Q317-W357 HydrophobicContact CB-CE3 4.46Å; Q317-W357 HydrophobicContact CB-CG 4.09Å; Q317-W357 HydrophobicContact CB-CZ2 3.87Å; Q317-W357 HydrophobicContact CG-CD2 3.6Å; Q317-W357 HydrophobicContact CG-CE3 3.75Å; Q317-W357 HydrophobicContact CG-CG 4.22Å; Q317-W357 HydrophobicContact CG-CH2 3.94Å; Q317-W357 HydrophobicContact CG-CZ2 3.8Å; Q317-W357 HydrophobicContact CG-CZ3 3.91Å; A323-W357 HydrophobicContact CB-CZ2 3.99Å; V333-W357 HydrophobicContact CG1-CZ2 4.16Å; V333-W357 HydrophobicContact CG2-CH2 4.29Å; V333-W357 HydrophobicContact CG2-CZ2 4Å; W357-L363 CarbonylContact C-O 3.58Å; W357-L363 WeakPolarHBondContact CA-O 3.47Å; W357-L364 HydrophobicContact CD2-CB 4.21Å; W357-L364 HydrophobicContact CD2-CD1 3.83Å; W357-L364 HydrophobicContact CE3-CB 3.95Å; W357-L364 HydrophobicContact CE3-CD1 4.42Å; W357-L364 HydrophobicContact CG-CD1 3.93Å; W357-L364 HydrophobicContact CH2-CB 4.13Å; W357-L364 HydrophobicContact CH2-CD2 4.47Å; W357-L364 HydrophobicContact CZ2-CB 4.37Å; W357-L364 HydrophobicContact CZ2-CD1 4.37Å; W357-L364 HydrophobicContact CZ2-CD2 4.13Å; W357-L364 HydrophobicContact CZ3-CB 3.91Å; W357-M378 HydrophobicContact CH2-CG 4.16Å; W357-M378 HydrophobicContact CH2-SD 4.15Å
358	D	98.4	Very high	98.4	Very high	9 Å²	9	28.1 Å²	28.1	5%	0.048	16%	0.158	C	C	.	.			trans	-66.8	164.1	170.5	86.7	-69.4	0	0	0	110.3	T360 G361 N362 L363 W399 L413	D358-T360 PolarHBondContact O-N 2.6Å; D358-T360 PolarHBondContact OD1-OG1 3.16Å; D358-T360 VanDerWaalsContact OD2-CB 3.3Å; D358-T360 WeakPolarHBondContact OD2-CB 3.08Å; D358-T360 PolarHBondContact OD2-N 3.08Å; D358-T360 PolarHBondContact OD2-OG1 3.13Å; D358-G361 PolarHBondContact O-N 3.4Å; D358-G361 PolarHBondContact OD1-N 2.93Å; D358-G361 VanDerWaalsContact OD1-N 3.11Å; D358-N362 PolarHBondContact OD1-N 2.91Å; D358-L363 HydrophobicContact CB-CB 4.17Å; D358-L363 PolarHBondContact N-O 3.14Å; D358-L363 PolarHBondContact OD1-N 2.99Å; D358-W399 HydrophobicContact CB-CD2 3.99Å; D358-W399 HydrophobicContact CB-CE3 4.37Å; D358-W399 HydrophobicContact CB-CG 4.39Å; D358-W399 HydrophobicContact CB-CH2 4.27Å; D358-W399 HydrophobicContact CB-CZ2 3.94Å; D358-L413 HydrophobicContact CB-CD2 4.33Å
359	P	97.5	Very high	98.3	Very high	53 Å²	53	29.2 Å²	29.2	34%	0.344	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.2	-177.9	-26.2	35.3	0	0	0	115	T406 L413	P359-T406 HydrophobicContact CB-CG2 3.41Å; P359-T406 VanDerWaalsContact CB-CG2 3.41Å; P359-T406 HydrophobicContact CG-CG2 3.84Å; P359-L413 HydrophobicContact CG-CD1 3.99Å
360	T	97.4	Very high	98.3	Very high	60 Å²	60	24.9 Å²	24.9	37%	0.368	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-13.5	176.4	74.5	0	0	0	0	113.9	D358 N362 P404	D358-T360 PolarHBondContact O-N 2.6Å; D358-T360 PolarHBondContact OD1-OG1 3.16Å; D358-T360 VanDerWaalsContact OD2-CB 3.3Å; D358-T360 WeakPolarHBondContact OD2-CB 3.08Å; D358-T360 PolarHBondContact OD2-N 3.08Å; D358-T360 PolarHBondContact OD2-OG1 3.13Å; T360-N362 VanDerWaalsContact C-N 3.32Å; T360-N362 WeakPolarHBondContact CB-ND2 3.43Å; T360-N362 WeakPolarHBondContact OG1-CB 3.41Å; T360-N362 PolarHBondContact OG1-ND2 3.31Å; T360-P404 HydrophobicContact CG2-CB 4.15Å; T360-P404 VanDerWaalsContact CG2-O 3.3Å; T360-P404 WeakPolarHBondContact CG2-O 3.32Å
361	G	97.6	Very high	98.4	Very high	7 Å²	7	24 Å²	24	7%	0.072	13%	0.131	C	C	.	.	S	Bend	trans	71.4	21.5	-176.8	0	0	0	0	0	114.4	Q317 D358	Q317-G361 PolarHBondContact NE2-O 2.89Å; D358-G361 PolarHBondContact O-N 3.4Å; D358-G361 PolarHBondContact OD1-N 2.93Å; D358-G361 VanDerWaalsContact OD1-N 3.11Å
362	N	97.7	Very high	98.4	Very high	98 Å²	98	22.4 Å²	22.4	52%	0.524	12%	0.124	S	C	.	.	S	Bend	trans	-100.9	-30.4	-178.1	-71.8	-50.6	0	0	0	113.4	D358 T360	D358-N362 PolarHBondContact OD1-N 2.91Å; T360-N362 VanDerWaalsContact C-N 3.32Å; T360-N362 WeakPolarHBondContact CB-ND2 3.43Å; T360-N362 WeakPolarHBondContact OG1-CB 3.41Å; T360-N362 PolarHBondContact OG1-ND2 3.31Å
363	L	98.3	Very high	98.4	Very high	33 Å²	33	22.4 Å²	22.4	17%	0.173	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.8	177.8	-61.4	178.6	0	0	0	109.6	W357 D358 I375 W376 W399 V429	W357-L363 CarbonylContact C-O 3.58Å; W357-L363 WeakPolarHBondContact CA-O 3.47Å; D358-L363 HydrophobicContact CB-CB 4.17Å; D358-L363 PolarHBondContact N-O 3.14Å; D358-L363 PolarHBondContact OD1-N 2.99Å; L363-I375 HydrophobicContact CB-CG2 4.24Å; L363-I375 HydrophobicContact CD1-CG2 4.23Å; L363-I375 HydrophobicContact CD2-CG2 4.17Å; L363-I375 HydrophobicContact CG-CG2 4.46Å; L363-W376 WeakPolarHBondContact CA-O 3.21Å; L363-W399 HydrophobicContact CB-CH2 4.46Å; L363-W399 HydrophobicContact CB-CZ2 4.25Å; L363-W399 HydrophobicContact CD1-CH2 4.31Å; L363-V429 HydrophobicContact CD1-CG1 4.4Å
364	L	98.9	Very high	98.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	124.4	170.7	-178.2	63.1	0	0	0	107.5	A323 I331 F345 I355 W357 I375 W376	A323-L364 HydrophobicContact CB-CD1 4.24Å; A323-L364 HydrophobicContact CB-CD2 3.67Å; I331-L364 HydrophobicContact CG2-CD2 3.71Å; F345-L364 HydrophobicContact CD2-CD2 4.25Å; F345-L364 HydrophobicContact CE2-CD2 4.16Å; I355-L364 HydrophobicContact CB-CD1 4.06Å; W357-L364 HydrophobicContact CD2-CB 4.21Å; W357-L364 HydrophobicContact CD2-CD1 3.83Å; W357-L364 HydrophobicContact CE3-CB 3.95Å; W357-L364 HydrophobicContact CE3-CD1 4.42Å; W357-L364 HydrophobicContact CG-CD1 3.93Å; W357-L364 HydrophobicContact CH2-CB 4.13Å; W357-L364 HydrophobicContact CH2-CD2 4.47Å; W357-L364 HydrophobicContact CZ2-CB 4.37Å; W357-L364 HydrophobicContact CZ2-CD1 4.37Å; W357-L364 HydrophobicContact CZ2-CD2 4.13Å; W357-L364 HydrophobicContact CZ3-CB 3.91Å; L364-I375 CarbonylContact O-C 3.53Å; L364-I375 WeakPolarHBondContact O-CA 3.3Å; L364-W376 HydrophobicContact CB-CB 4.27Å; L364-W376 PolarHBondContact N-O 2.86Å; L364-W376 VanDerWaalsContact O-CD1 3.23Å; L364-W376 PolarHBondContact O-N 3.46Å
365	A	98.9	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	146.2	169.3	0	0	0	0	0	109.6	I355 K356 K374 I375 I397 W399 L415	I355-A365 CarbonylContact C-O 3.45Å; I355-A365 WeakPolarHBondContact CA-O 3.42Å; K356-A365 PolarHBondContact N-O 3.12Å; K356-A365 PolarHBondContact O-N 2.57Å; A365-K374 CarbonylContact C-O 3.6Å; A365-K374 WeakPolarHBondContact CA-O 3.42Å; A365-I375 HydrophobicContact CB-CD1 3.71Å; A365-I397 VanDerWaalsContact C-CD1 3.43Å; A365-I397 HydrophobicContact CB-CD1 3.72Å; A365-I397 WeakPolarHBondContact O-CD1 3.48Å; A365-W399 HydrophobicContact CB-CZ2 3.79Å; A365-L415 HydrophobicContact CB-CD1 3.87Å; A365-L415 HydrophobicContact CB-CD2 3.76Å
366	S	98.9	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	150.6	171.7	65	0	0	0	0	111.7	I331 H348 A354 L373 K374 W376	I331-S366 VanDerWaalsContact CD1-CB 3.4Å; H348-S366 PolarHBondContact CD2-OG 3.16Å; H348-S366 PolarHBondContact NE2-OG 2.62Å; A354-S366 VanDerWaalsContact O-CA 3.31Å; A354-S366 WeakPolarHBondContact O-CA 3.39Å; S366-L373 WeakPolarHBondContact O-CA 3.29Å; S366-K374 PolarHBondContact N-O 2.83Å; S366-K374 PolarHBondContact O-N 3.41Å; S366-W376 PolarHBondContact OG-NE1 3.28Å
367	C	98.8	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.3	172.3	72.6	0	0	0	0	111.5	V352 N353 A354 I394 I397	V352-C367 CarbonylContact C-O 3.53Å; V352-C367 WeakPolarHBondContact CG1-O 3.48Å; N353-C367 PolarHBondContact N-O 2.98Å; A354-C367 PolarHBondContact O-N 3.38Å; A354-C367 VanDerWaalsContact O-N 3.09Å; C367-I394 HydrophobicContact CB-CB 3.76Å; C367-I394 HydrophobicContact CB-CD1 4.42Å; C367-I394 HydrophobicContact CB-CG2 3.47Å; C367-I394 VanDerWaalsContact CB-CG2 3.47Å; C367-I394 PolarHBondContact SG-O 2.88Å; C367-I394 VanDerWaalsContact SG-O 3.33Å; C367-I397 HydrophobicContact CB-CD1 4.45Å; C367-I397 HydrophobicContact CB-CG1 4.42Å; C367-I397 HydrophobicContact CB-CG2 3.65Å
368	S	98.8	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	162.2	-167.8	173.1	0	0	0	0	112.6	H348 N350 E351 D370 M371 T372 I394	H348-S368 VanDerWaalsContact CE1-CB 3.47Å; H348-S368 WeakPolarHBondContact CE1-CB 3.44Å; H348-S368 WeakPolarHBondContact ND1-CB 3.27Å; N350-S368 PolarHBondContact O-OG 3.47Å; E351-S368 CarbonylContact O-C 3.53Å; E351-S368 WeakPolarHBondContact O-CA 3.45Å; E351-S368 WeakPolarHBondContact O-CB 3.23Å; E351-S368 PolarHBondContact O-OG 3.16Å; S368-D370 VanDerWaalsContact CB-OD1 3.29Å; S368-D370 WeakPolarHBondContact CB-OD1 3.5Å; S368-D370 PolarHBondContact O-N 3.32Å; S368-D370 VanDerWaalsContact OG-CG 3.3Å; S368-D370 PolarHBondContact OG-N 3.24Å; S368-D370 VanDerWaalsContact OG-N 3.13Å; S368-D370 PolarHBondContact OG-OD1 3.42Å; S368-M371 PolarHBondContact O-N 2.58Å; S368-T372 PolarHBondContact N-O 2.85Å; S368-I394 PolarHBondContact O-N 2.79Å
369	D	98	Very high	98.4	Very high	34 Å²	34	31 Å²	31	18%	0.182	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.7	167.5	-75.2	-0.8	0	0	0	113.1	N350 E351 N353 M371 E393	N350-D369 HydrophobicContact CB-CB 3.94Å; N350-D369 WeakPolarHBondContact ND2-CB 3.33Å; E351-D369 HydrophobicContact CB-CB 4.49Å; E351-D369 PolarHBondContact O-N 2.95Å; N353-D369 PolarHBondContact ND2-OD1 3.47Å; D369-M371 PolarHBondContact O-N 2.76Å; D369-E393 HydrophobicContact CB-CB 4.45Å; D369-E393 HydrophobicContact CB-CG 3.86Å; D369-E393 WeakPolarHBondContact OD1-CB 3.23Å
370	D	98.4	Very high	98.4	Very high	21 Å²	21	32.7 Å²	32.7	11%	0.112	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	9	170.4	72.8	13.5	0	0	0	114	H348 T349 N350 S368 T372	H348-D370 WeakPolarHBondContact CA-OD2 3.33Å; H348-D370 WeakPolarHBondContact CB-OD2 3.4Å; H348-D370 IonicContact CE1-OD1 3.77Å; H348-D370 IonicContact CG-OD2 2.7Å; H348-D370 IonicContact ND1-OD1 2.64Å; H348-D370 PolarHBondContact ND1-OD1 3.31Å; H348-D370 IonicContact ND1-OD2 3.12Å; H348-D370 PolarHBondContact ND1-OD2 2.91Å; T349-D370 PolarHBondContact N-OD2 2.74Å; T349-D370 VanDerWaalsContact OG1-CB 3.31Å; T349-D370 WeakPolarHBondContact OG1-CB 3.38Å; N350-D370 HydrophobicContact CB-CB 3.88Å; S368-D370 VanDerWaalsContact CB-OD1 3.29Å; S368-D370 WeakPolarHBondContact CB-OD1 3.5Å; S368-D370 PolarHBondContact O-N 3.32Å; S368-D370 VanDerWaalsContact OG-CG 3.3Å; S368-D370 PolarHBondContact OG-N 3.24Å; S368-D370 VanDerWaalsContact OG-N 3.13Å; S368-D370 PolarHBondContact OG-OD1 3.42Å; D370-T372 PolarHBondContact O-N 3.44Å; D370-T372 VanDerWaalsContact OD1-CB 3.32Å; D370-T372 WeakPolarHBondContact OD1-CB 3.18Å; D370-T372 PolarHBondContact OD1-N 2.9Å; D370-T372 PolarHBondContact OD1-OG1 2.6Å; D370-T372 PolarHBondContact OD2-OG1 2.95Å
371	M	98.5	Very high	98.4	Very high	59 Å²	59	35.1 Å²	35.1	29%	0.291	18%	0.176	S	C	.	.	S	Bend	trans	68.1	10.3	176.3	-40.6	176.6	-175.6	0	0	114	S368 D369 Q388 A389 H390 N391	S368-M371 PolarHBondContact O-N 2.58Å; D369-M371 PolarHBondContact O-N 2.76Å; M371-Q388 PolarHBondContact O-NE2 3.08Å; M371-A389 PolarHBondContact O-N 3.11Å; M371-H390 PolarHBondContact O-N 3.3Å; M371-N391 VanDerWaalsContact SD-C 3.58Å; M371-N391 VanDerWaalsContact SD-O 3.37Å
372	T	98.7	Very high	98.4	Very high	13 Å²	13	40.7 Å²	40.7	8%	0.08	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	147.3	-179.2	74.5	0	0	0	0	112.5	H348 S368 D370 K374 L387 I394	H348-T372 PolarHBondContact CE1-OG1 3.34Å; H348-T372 PolarHBondContact ND1-OG1 3.17Å; S368-T372 PolarHBondContact N-O 2.85Å; D370-T372 PolarHBondContact O-N 3.44Å; D370-T372 VanDerWaalsContact OD1-CB 3.32Å; D370-T372 WeakPolarHBondContact OD1-CB 3.18Å; D370-T372 PolarHBondContact OD1-N 2.9Å; D370-T372 PolarHBondContact OD1-OG1 2.6Å; D370-T372 PolarHBondContact OD2-OG1 2.95Å; T372-K374 WeakPolarHBondContact OG1-CE 3.37Å; T372-L387 WeakPolarHBondContact CA-O 3.14Å; T372-I394 WeakPolarHBondContact O-CD1 3.16Å
373	L	98.7	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.9	165.6	-169.9	158.1	0	0	0	107.9	S366 I375 L387 A389 I394 I397 L415	S366-L373 WeakPolarHBondContact O-CA 3.29Å; L373-I375 HydrophobicContact CD2-CD1 3.5Å; L373-I375 HydrophobicContact CD2-CG1 4.08Å; L373-L387 HydrophobicContact CB-CB 4.29Å; L373-L387 HydrophobicContact CD2-CD1 4.06Å; L373-L387 PolarHBondContact N-O 3.35Å; L373-L387 WeakPolarHBondContact O-CB 3.49Å; L373-L387 PolarHBondContact O-N 3.05Å; L373-A389 HydrophobicContact CB-CB 3.7Å; L373-I394 HydrophobicContact CB-CD1 4.38Å; L373-I397 HydrophobicContact CD1-CG2 3.72Å; L373-I397 HydrophobicContact CG-CG2 4.37Å; L373-L415 HydrophobicContact CD1-CD2 3.58Å; L373-L415 HydrophobicContact CD1-CG 4.32Å; L373-L415 HydrophobicContact CD2-CD2 3.42Å; L373-L415 VanDerWaalsContact CD2-CD2 3.42Å; L373-L415 HydrophobicContact CG-CD2 4.05Å
374	K	98.8	Very high	98.4	Very high	8 Å²	8	38.7 Å²	38.7	4%	0.035	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.5	178.6	-65	-179.5	-166.2	-63.6	0	111.4	G347 A365 S366 T372 W376 C383 H385 D386	G347-K374 VanDerWaalsContact O-CE 3.29Å; G347-K374 WeakPolarHBondContact O-CE 3.25Å; A365-K374 CarbonylContact C-O 3.6Å; A365-K374 WeakPolarHBondContact CA-O 3.42Å; S366-K374 PolarHBondContact N-O 2.83Å; S366-K374 PolarHBondContact O-N 3.41Å; T372-K374 WeakPolarHBondContact OG1-CE 3.37Å; K374-W376 HydrophobicContact CB-CZ2 3.65Å; K374-W376 HydrophobicContact CD-CH2 3.82Å; K374-W376 HydrophobicContact CD-CZ2 3.5Å; K374-W376 VanDerWaalsContact CD-CZ2 3.5Å; K374-W376 HydrophobicContact CG-CZ2 4.21Å; K374-C383 HydrophobicContact CB-CB 4.11Å; K374-C383 HydrophobicContact CD-CB 4.48Å; K374-C383 HydrophobicContact CG-CB 4.45Å; K374-H385 WeakPolarHBondContact CA-O 3.4Å; K374-D386 IonicContact NZ-OD1 3.85Å; K374-D386 PolarHBondContact NZ-OD1 3.3Å; K374-D386 IonicContact NZ-OD2 2.74Å; K374-D386 PolarHBondContact NZ-OD2 2.85Å
375	I	98.8	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.5	175.4	-52.8	-63.2	0	0	0	108.3	L363 L364 A365 L373 C383 V384 H385 W399 L415 V429	L363-I375 HydrophobicContact CB-CG2 4.24Å; L363-I375 HydrophobicContact CD1-CG2 4.23Å; L363-I375 HydrophobicContact CD2-CG2 4.17Å; L363-I375 HydrophobicContact CG-CG2 4.46Å; L364-I375 CarbonylContact O-C 3.53Å; L364-I375 WeakPolarHBondContact O-CA 3.3Å; A365-I375 HydrophobicContact CB-CD1 3.71Å; L373-I375 HydrophobicContact CD2-CD1 3.5Å; L373-I375 HydrophobicContact CD2-CG1 4.08Å; I375-C383 CarbonylContact O-C 3.58Å; I375-C383 WeakPolarHBondContact O-CA 3.42Å; I375-C383 WeakPolarHBondContact O-CB 3.41Å; I375-V384 PolarHBondContact O-N 3.24Å; I375-H385 HydrophobicContact CB-CB 4.04Å; I375-H385 HydrophobicContact CG1-CB 3.94Å; I375-H385 PolarHBondContact N-O 2.8Å; I375-H385 PolarHBondContact O-N 3.18Å; I375-W399 HydrophobicContact CD1-CH2 4.33Å; I375-W399 HydrophobicContact CD1-CZ2 4.23Å; I375-L415 HydrophobicContact CD1-CD2 3.71Å; I375-V429 HydrophobicContact CB-CG1 4.35Å; I375-V429 HydrophobicContact CD1-CG1 3.92Å; I375-V429 HydrophobicContact CD1-CG2 4.19Å; I375-V429 HydrophobicContact CG1-CG1 3.71Å; I375-V429 HydrophobicContact CG2-CG1 3.88Å
376	W	98.7	Very high	98.3	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	149.9	-173.7	-47.8	91.5	0	0	0	111.1	I331 F345 L363 L364 S366 K374 C383	I331-W376 HydrophobicContact CD1-CZ2 4.3Å; F345-W376 HydrophobicContact CB-CD2 3.79Å; F345-W376 HydrophobicContact CB-CE3 3.58Å; F345-W376 HydrophobicContact CB-CG 4.4Å; F345-W376 HydrophobicContact CB-CH2 4.14Å; F345-W376 HydrophobicContact CB-CZ2 4.33Å; F345-W376 HydrophobicContact CB-CZ3 3.77Å; F345-W376 HydrophobicContact CD1-CB 4.01Å; F345-W376 AromaticContact CD1-CD2 3.95Å; F345-W376 HydrophobicContact CD1-CD2 3.95Å; F345-W376 AromaticContact CD1-CE3 3.42Å; F345-W376 HydrophobicContact CD1-CE3 3.42Å; F345-W376 VanDerWaalsContact CD1-CE3 3.42Å; F345-W376 HydrophobicContact CD1-CG 4.22Å; F345-W376 HydrophobicContact CD1-CZ3 4.16Å; F345-W376 HydrophobicContact CD2-CB 3.98Å; F345-W376 HydrophobicContact CD2-CD2 4.34Å; F345-W376 HydrophobicContact CD2-CG 4.09Å; F345-W376 HydrophobicContact CE1-CB 3.78Å; F345-W376 HydrophobicContact CE1-CE3 4.2Å; F345-W376 HydrophobicContact CE1-CG 4.48Å; F345-W376 HydrophobicContact CE2-CB 3.78Å; F345-W376 HydrophobicContact CE2-CG 4.39Å; F345-W376 HydrophobicContact CG-CB 4.09Å; F345-W376 AromaticContact CG-CD2 3.8Å; F345-W376 HydrophobicContact CG-CD2 3.8Å; F345-W376 AromaticContact CG-CE3 3.65Å; F345-W376 HydrophobicContact CG-CE3 3.65Å; F345-W376 HydrophobicContact CG-CG 4.01Å; F345-W376 HydrophobicContact CG-CZ3 4.3Å; F345-W376 HydrophobicContact CZ-CB 3.67Å; L363-W376 WeakPolarHBondContact CA-O 3.21Å; L364-W376 HydrophobicContact CB-CB 4.27Å; L364-W376 PolarHBondContact N-O 2.86Å; L364-W376 VanDerWaalsContact O-CD1 3.23Å; L364-W376 PolarHBondContact O-N 3.46Å; S366-W376 PolarHBondContact OG-NE1 3.28Å; K374-W376 HydrophobicContact CB-CZ2 3.65Å; K374-W376 HydrophobicContact CD-CH2 3.82Å; K374-W376 HydrophobicContact CD-CZ2 3.5Å; K374-W376 VanDerWaalsContact CD-CZ2 3.5Å; K374-W376 HydrophobicContact CG-CZ2 4.21Å; W376-C383 HydrophobicContact CD2-CB 4.1Å; W376-C383 HydrophobicContact CE3-CB 3.73Å; W376-C383 HydrophobicContact CH2-CB 4.12Å; W376-C383 HydrophobicContact CZ2-CB 4.44Å; W376-C383 HydrophobicContact CZ3-CB 3.75Å
377	S	98.4	Very high	98.3	Very high	14 Å²	14	46.1 Å²	46.1	10%	0.098	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.1	169.5	-175.9	0	0	0	0	109.3	F345 K379 Q380	F345-S377 WeakPolarHBondContact CE1-O 3.37Å; S377-K379 PolarHBondContact O-N 2.89Å; S377-Q380 PolarHBondContact O-N 3.47Å
378	M	98.3	Very high	98.2	Very high	63 Å²	63	51.9 Å²	51.9	31%	0.31	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.5	175.8	-65.9	-61.3	-70.9	0	0	113.5	V333 I342 K343 F345 W357	V333-M378 HydrophobicContact CB-CE 4.19Å; V333-M378 HydrophobicContact CB-SD 4.14Å; V333-M378 HydrophobicContact CG1-CE 3.94Å; V333-M378 HydrophobicContact CG1-SD 4.04Å; V333-M378 HydrophobicContact CG2-CE 4.45Å; V333-M378 HydrophobicContact CG2-SD 3.76Å; I342-M378 HydrophobicContact CG2-CE 3.76Å; K343-M378 HydrophobicContact CB-CE 3.55Å; K343-M378 HydrophobicContact CB-SD 4.07Å; K343-M378 HydrophobicContact CD-CE 3.88Å; K343-M378 HydrophobicContact CD-SD 3.7Å; K343-M378 HydrophobicContact CG-CE 4.37Å; K343-M378 HydrophobicContact CG-SD 4.5Å; F345-M378 HydrophobicContact CE2-SD 4.15Å; F345-M378 HydrophobicContact CZ-SD 3.9Å; W357-M378 HydrophobicContact CH2-CG 4.16Å; W357-M378 HydrophobicContact CH2-SD 4.15Å
379	K	98.1	Very high	98.1	Very high	187 Å²	187	51.9 Å²	51.9	81%	0.813	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.8	-176.3	-62.8	177.1	-177.6	173.1	0	114.6	S377	S377-K379 PolarHBondContact O-N 2.89Å
380	Q	97.9	Very high	98.1	Very high	87 Å²	87	50.2 Å²	50.2	41%	0.407	25%	0.254	S	S	.	.			trans	-146.8	161.1	-176.2	57	-179	69.4	0	0	111	K343 S377 N382	K343-Q380 WeakPolarHBondContact CE-O 3.49Å; K343-Q380 PolarHBondContact NZ-O 3.27Å; K343-Q380 VanDerWaalsContact NZ-O 3.16Å; S377-Q380 PolarHBondContact O-N 3.47Å; Q380-N382 WeakPolarHBondContact CG-O 3.29Å; Q380-N382 PolarHBondContact NE2-O 2.78Å
381	D	97.5	Very high	98	Very high	112 Å²	112	54.7 Å²	54.7	60%	0.599	28%	0.278	S	S	*	.	S	Bend	trans	-85.2	-42.2	-178.3	-65.6	-19.9	0	0	0	112.3	K343	K343-D381 IonicContact NZ-OD1 3.44Å; K343-D381 PolarHBondContact NZ-OD1 2.82Å
382	N	97.7	Very high	98	Very high	124 Å²	124	56.5 Å²	56.5	66%	0.663	28%	0.284	S	S	*	.	S	Bend	trans	-75.4	150.2	176.6	-63.9	-5.9	0	0	0	111	Q380	Q380-N382 WeakPolarHBondContact CG-O 3.29Å; Q380-N382 PolarHBondContact NE2-O 2.78Å
383	C	97.6	Very high	97.9	Very high	30 Å²	30	58.6 Å²	58.6	20%	0.203	29%	0.293	C	S	.	.			trans	-57.1	142	172.7	56.5	0	0	0	0	111.2	K374 I375 W376 H385	K374-C383 HydrophobicContact CB-CB 4.11Å; K374-C383 HydrophobicContact CD-CB 4.48Å; K374-C383 HydrophobicContact CG-CB 4.45Å; I375-C383 CarbonylContact O-C 3.58Å; I375-C383 WeakPolarHBondContact O-CA 3.42Å; I375-C383 WeakPolarHBondContact O-CB 3.41Å; W376-C383 HydrophobicContact CD2-CB 4.1Å; W376-C383 HydrophobicContact CE3-CB 3.73Å; W376-C383 HydrophobicContact CH2-CB 4.12Å; W376-C383 HydrophobicContact CZ2-CB 4.44Å; W376-C383 HydrophobicContact CZ3-CB 3.75Å; C383-H385 WeakPolarHBondContact CB-O 3.47Å
384	V	98	Very high	97.9	Very high	58 Å²	58	58.6 Å²	58.6	35%	0.352	29%	0.293	S	S	.	.	S	Bend	trans	-67.4	-42	172.9	-178.3	0	0	0	0	109.8	I375	I375-V384 PolarHBondContact O-N 3.24Å
385	H	98.1	Very high	97.8	Very high	49 Å²	49	61.1 Å²	61.1	23%	0.227	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.3	173.5	-64	-67.9	0	0	0	110.5	K374 I375 C383 L387 V429	K374-H385 WeakPolarHBondContact CA-O 3.4Å; I375-H385 HydrophobicContact CB-CB 4.04Å; I375-H385 HydrophobicContact CG1-CB 3.94Å; I375-H385 PolarHBondContact N-O 2.8Å; I375-H385 PolarHBondContact O-N 3.18Å; C383-H385 WeakPolarHBondContact CB-O 3.47Å; H385-L387 HydrophobicContact CB-CD2 3.98Å; H385-L387 HydrophobicContact CB-CG 4.17Å; H385-V429 PolarHBondContact CD2-O 2.88Å; H385-V429 PolarHBondContact NE2-O 2.88Å; H385-V429 VanDerWaalsContact NE2-O 3.08Å
386	D	98.3	Very high	97.8	Very high	92 Å²	92	61.7 Å²	61.7	49%	0.492	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	98.5	171.3	-168.7	0.5	0	0	0	107.8	K374	K374-D386 IonicContact NZ-OD1 3.85Å; K374-D386 PolarHBondContact NZ-OD1 3.3Å; K374-D386 IonicContact NZ-OD2 2.74Å; K374-D386 PolarHBondContact NZ-OD2 2.85Å
387	L	98	Very high	97.8	Very high	16 Å²	16	61.6 Å²	61.6	8%	0.084	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.9	-172	-50.3	-179.9	0	0	0	108.7	T372 L373 H385 A389 W427	T372-L387 WeakPolarHBondContact CA-O 3.14Å; L373-L387 HydrophobicContact CB-CB 4.29Å; L373-L387 HydrophobicContact CD2-CD1 4.06Å; L373-L387 PolarHBondContact N-O 3.35Å; L373-L387 WeakPolarHBondContact O-CB 3.49Å; L373-L387 PolarHBondContact O-N 3.05Å; H385-L387 HydrophobicContact CB-CD2 3.98Å; H385-L387 HydrophobicContact CB-CG 4.17Å; L387-A389 PolarHBondContact O-N 2.7Å; L387-W427 HydrophobicContact CB-CH2 4.41Å; L387-W427 HydrophobicContact CB-CZ3 4.24Å; L387-W427 HydrophobicContact CD1-CD2 4.04Å; L387-W427 HydrophobicContact CD1-CE3 3.67Å; L387-W427 HydrophobicContact CD1-CZ3 4.06Å
388	Q	97.4	Very high	97.8	Very high	120 Å²	120	63.3 Å²	63.3	56%	0.561	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	81.7	165.5	-173.1	62.9	52.5	0	0	108.4	M371 H390	M371-Q388 PolarHBondContact O-NE2 3.08Å; Q388-H390 PolarHBondContact NE2-O 3.5Å
389	A	95.7	Very high	97.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.301	C	S	.	.			trans	-82.9	-34.5	-162.6	0	0	0	0	0	112.1	M371 L373 L387 I394 R425 W427	M371-A389 PolarHBondContact O-N 3.11Å; L373-A389 HydrophobicContact CB-CB 3.7Å; L387-A389 PolarHBondContact O-N 2.7Å; A389-I394 HydrophobicContact CB-CD1 3.76Å; A389-R425 WeakPolarHBondContact O-CD 3.22Å; A389-R425 PolarHBondContact O-NE 3.47Å; A389-R425 PolarHBondContact O-NH1 3.31Å; A389-W427 VanDerWaalsContact CA-CZ2 3.49Å; A389-W427 HydrophobicContact CB-CH2 4.01Å; A389-W427 HydrophobicContact CB-CZ2 3.43Å; A389-W427 VanDerWaalsContact CB-CZ2 3.43Å
390	H	98.2	Very high	97.9	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.			trans	-141.5	170.7	-175.8	-70.8	-89.7	0	0	0	111.5	M371 Q388 I394 S417 S419 D421 T423	M371-H390 PolarHBondContact O-N 3.3Å; Q388-H390 PolarHBondContact NE2-O 3.5Å; H390-I394 HydrophobicContact CB-CD1 4.37Å; H390-I394 HydrophobicContact CB-CG1 3.96Å; H390-S417 PolarHBondContact NE2-OG 3.24Å; H390-S419 WeakPolarHBondContact ND1-CB 3.32Å; H390-D421 WeakPolarHBondContact CB-OD2 3.37Å; H390-D421 IonicContact CG-OD2 3.54Å; H390-D421 IonicContact ND1-OD1 2.69Å; H390-D421 PolarHBondContact ND1-OD1 2.7Å; H390-D421 IonicContact ND1-OD2 2.76Å; H390-D421 PolarHBondContact ND1-OD2 3.08Å; H390-T423 PolarHBondContact CE1-O 2.97Å; H390-T423 PolarHBondContact CE1-OG1 3.27Å; H390-T423 VanDerWaalsContact CE1-OG1 3.23Å; H390-T423 PolarHBondContact ND1-OG1 2.95Å
391	N	97.5	Very high	97.9	Very high	115 Å²	115	50.5 Å²	50.5	62%	0.615	26%	0.256	S	S	*	.	S	Bend	trans	-95.6	-2.3	177.9	-65.2	-32.9	0	0	0	112.8	M371 D421	M371-N391 VanDerWaalsContact SD-C 3.58Å; M371-N391 VanDerWaalsContact SD-O 3.37Å; N391-D421 PolarHBondContact N-OD2 2.82Å
392	K	97.6	Very high	97.9	Very high	96 Å²	96	45.2 Å²	45.2	42%	0.417	23%	0.228	S	C	.	.	S	Bend	trans	-145.7	177.9	179.1	-61.9	-67	177.2	-175.9	0	109.3	S419 F420 D421	K392-S419 PolarHBondContact O-OG 2.91Å; K392-F420 HydrophobicContact CB-CB 3.91Å; K392-F420 HydrophobicContact CB-CD1 4.03Å; K392-F420 HydrophobicContact CB-CG 4.47Å; K392-F420 HydrophobicContact CD-CD1 4.34Å; K392-F420 HydrophobicContact CG-CD1 4.04Å; K392-D421 HydrophobicContact CB-CB 3.87Å; K392-D421 HydrophobicContact CG-CB 3.76Å
393	E	97.8	Very high	97.8	Very high	57 Å²	57	39.5 Å²	39.5	27%	0.266	20%	0.199	S	C	.	.			trans	-48.4	138	179.5	-63	83.2	172.8	0	0	111.7	D369 Y395 S419 F420	D369-E393 HydrophobicContact CB-CB 4.45Å; D369-E393 HydrophobicContact CB-CG 3.86Å; D369-E393 WeakPolarHBondContact OD1-CB 3.23Å; E393-Y395 HydrophobicContact CB-CE1 3.89Å; E393-S419 VanDerWaalsContact O-CA 3.23Å; E393-S419 WeakPolarHBondContact O-CA 3.09Å; E393-S419 VanDerWaalsContact O-CB 3.25Å; E393-S419 WeakPolarHBondContact O-CB 3.48Å; E393-S419 PolarHBondContact O-OG 2.84Å; E393-F420 HydrophobicContact CB-CB 4.34Å; E393-F420 PolarHBondContact O-N 2.84Å
394	I	98.5	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	116.2	-179.9	-50.5	174	0	0	0	109.1	N353 C367 S368 T372 L373 A389 H390 A418	N353-I394 PolarHBondContact ND2-O 3.27Å; C367-I394 HydrophobicContact CB-CB 3.76Å; C367-I394 HydrophobicContact CB-CD1 4.42Å; C367-I394 HydrophobicContact CB-CG2 3.47Å; C367-I394 VanDerWaalsContact CB-CG2 3.47Å; C367-I394 PolarHBondContact SG-O 2.88Å; C367-I394 VanDerWaalsContact SG-O 3.33Å; S368-I394 PolarHBondContact O-N 2.79Å; T372-I394 WeakPolarHBondContact O-CD1 3.16Å; L373-I394 HydrophobicContact CB-CD1 4.38Å; A389-I394 HydrophobicContact CB-CD1 3.76Å; H390-I394 HydrophobicContact CB-CD1 4.37Å; H390-I394 HydrophobicContact CB-CG1 3.96Å; I394-A418 VanDerWaalsContact CG2-O 3.3Å; I394-A418 WeakPolarHBondContact CG2-O 3.4Å
395	Y	96.5	Very high	97.5	Very high	62 Å²	62	43.5 Å²	43.5	24%	0.243	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	-33	-171.8	-64.6	-39	0	0	0	114.4	E393 A418 F420 P444 Y446	E393-Y395 HydrophobicContact CB-CE1 3.89Å; Y395-A418 PolarHBondContact N-O 3.13Å; Y395-F420 HydrophobicContact CE2-CB 3.67Å; Y395-F420 AromaticContact CE2-CD2 3.88Å; Y395-F420 HydrophobicContact CE2-CD2 3.88Å; Y395-F420 HydrophobicContact CE2-CG 4.28Å; Y395-F420 AromaticContact CZ-CD2 3.89Å; Y395-F420 WeakPolarHBondContact OH-CD2 3.37Å; Y395-P444 HydrophobicContact CE2-CB 4.22Å; Y395-Y446 AromaticContact CD2-CD1 3.91Å; Y395-Y446 HydrophobicContact CD2-CD1 3.91Å; Y395-Y446 AromaticContact CD2-CE1 3.89Å; Y395-Y446 HydrophobicContact CD2-CE1 3.89Å; Y395-Y446 HydrophobicContact CE2-CD1 4.3Å; Y395-Y446 AromaticContact CE2-CE1 3.8Å; Y395-Y446 HydrophobicContact CE2-CE1 3.8Å; Y395-Y446 HydrophobicContact CG-CD1 4.45Å
396	T	98.3	Very high	97.4	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	146.2	-174.8	176.6	0	0	0	0	111.8	S417 A418 Y446 V448	T396-S417 WeakPolarHBondContact O-CA 3.36Å; T396-A418 HydrophobicContact CG2-CB 3.74Å; T396-A418 PolarHBondContact O-N 3.48Å; T396-A418 VanDerWaalsContact O-N 3.08Å; T396-Y446 WeakPolarHBondContact CG2-O 3.48Å; T396-V448 HydrophobicContact CG2-CG1 4.46Å; T396-V448 HydrophobicContact CG2-CG2 3.94Å
397	I	98.8	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147	169.1	50	166.3	0	0	0	110.6	A354 A365 C367 L373 L415 A416	A354-I397 HydrophobicContact CB-CG1 4.02Å; A365-I397 VanDerWaalsContact C-CD1 3.43Å; A365-I397 HydrophobicContact CB-CD1 3.72Å; A365-I397 WeakPolarHBondContact O-CD1 3.48Å; C367-I397 HydrophobicContact CB-CD1 4.45Å; C367-I397 HydrophobicContact CB-CG1 4.42Å; C367-I397 HydrophobicContact CB-CG2 3.65Å; L373-I397 HydrophobicContact CD1-CG2 3.72Å; L373-I397 HydrophobicContact CG-CG2 4.37Å; I397-L415 HydrophobicContact CB-CD1 4.38Å; I397-A416 WeakPolarHBondContact CA-O 3.47Å
398	K	98.8	Very high	97.3	Very high	51 Å²	51	46.8 Å²	46.8	22%	0.222	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	138.7	172.4	-61.8	-65.2	160.7	60.9	0	110.4	L415 A416 V448 F450	K398-L415 WeakPolarHBondContact O-CD1 3.5Å; K398-A416 PolarHBondContact N-O 3.2Å; K398-A416 PolarHBondContact O-N 3.12Å; K398-V448 HydrophobicContact CB-CG2 4.43Å; K398-V448 HydrophobicContact CG-CG2 4.04Å; K398-V448 VanDerWaalsContact CG-O 3.27Å; K398-V448 WeakPolarHBondContact CG-O 3.45Å; K398-V448 PolarHBondContact NZ-O 2.78Å; K398-F450 HydrophobicContact CB-CD2 4.24Å; K398-F450 HydrophobicContact CB-CE2 4.4Å; K398-F450 WeakPolarHBondContact O-CE2 3.49Å
399	W	98.8	Very high	97.2	Very high	24 Å²	24	44.4 Å²	44.4	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	145.8	166.7	-68.1	100.6	0	0	0	110.4	K356 D358 L363 A365 I375 L413 M414 L415 V429 F450	K356-W399 PolarHBondContact O-NE1 3.02Å; D358-W399 HydrophobicContact CB-CD2 3.99Å; D358-W399 HydrophobicContact CB-CE3 4.37Å; D358-W399 HydrophobicContact CB-CG 4.39Å; D358-W399 HydrophobicContact CB-CH2 4.27Å; D358-W399 HydrophobicContact CB-CZ2 3.94Å; L363-W399 HydrophobicContact CB-CH2 4.46Å; L363-W399 HydrophobicContact CB-CZ2 4.25Å; L363-W399 HydrophobicContact CD1-CH2 4.31Å; A365-W399 HydrophobicContact CB-CZ2 3.79Å; I375-W399 HydrophobicContact CD1-CH2 4.33Å; I375-W399 HydrophobicContact CD1-CZ2 4.23Å; W399-L413 HydrophobicContact CE3-CD1 3.68Å; W399-L413 HydrophobicContact CE3-CD2 3.87Å; W399-L413 HydrophobicContact CE3-CG 3.67Å; W399-L413 HydrophobicContact CH2-CD2 4.35Å; W399-L413 HydrophobicContact CZ3-CD1 4.22Å; W399-L413 HydrophobicContact CZ3-CD2 3.56Å; W399-L413 HydrophobicContact CZ3-CG 3.68Å; W399-M414 WeakPolarHBondContact CA-O 3.39Å; W399-L415 HydrophobicContact CD2-CB 4.49Å; W399-L415 HydrophobicContact CD2-CD1 3.64Å; W399-L415 HydrophobicContact CE3-CB 4.05Å; W399-L415 HydrophobicContact CE3-CD1 4.08Å; W399-L415 HydrophobicContact CG-CD1 3.89Å; W399-L415 HydrophobicContact CZ2-CD1 4.37Å; W399-L415 HydrophobicContact CZ3-CB 4.18Å; W399-V429 HydrophobicContact CH2-CB 3.83Å; W399-V429 HydrophobicContact CH2-CG1 3.74Å; W399-V429 HydrophobicContact CH2-CG2 3.62Å; W399-V429 HydrophobicContact CZ3-CB 3.83Å; W399-V429 HydrophobicContact CZ3-CG1 4.26Å; W399-V429 HydrophobicContact CZ3-CG2 3.51Å; W399-F450 WeakPolarHBondContact O-CD2 3.1Å
400	S	98.6	Very high	97.2	Very high	1 Å²	1	52 Å²	52	1%	0.007	30%	0.295	C	S	.	.			trans	-69.4	146.2	168	59.2	0	0	0	0	110.5	T402 M414	S400-T402 PolarHBondContact O-N 3.24Å; S400-T402 PolarHBondContact OG-OG1 2.92Å; S400-M414 PolarHBondContact N-O 3.45Å; S400-M414 PolarHBondContact OG-N 3.03Å; S400-M414 PolarHBondContact OG-O 3.38Å
401	P	97.9	Very high	97.1	Very high	42 Å²	42	54 Å²	54	27%	0.273	31%	0.312	S	S	.	.	S	Bend	trans	-78.5	52	175.9	33.9	-36.5	0	0	0	111.4	T406 N408 F450 S451 P452	P401-T406 WeakPolarHBondContact O-CB 3.39Å; P401-T406 PolarHBondContact O-OG1 2.92Å; P401-N408 PolarHBondContact O-ND2 2.8Å; P401-F450 HydrophobicContact CG-CB 4.49Å; P401-S451 VanDerWaalsContact CG-O 3.3Å; P401-S451 WeakPolarHBondContact CG-O 3.2Å; P401-P452 WeakPolarHBondContact CG-O 3.46Å
402	T	98.2	Very high	97	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.012	31%	0.311	C	S	.	.			trans	-128.9	167.9	-175.2	59	0	0	0	0	111.5	S400 T406 N408 A411 N412 L413	S400-T402 PolarHBondContact O-N 3.24Å; S400-T402 PolarHBondContact OG-OG1 2.92Å; T402-T406 VanDerWaalsContact C-OG1 3.31Å; T402-T406 WeakPolarHBondContact CA-OG1 3.4Å; T402-T406 WeakPolarHBondContact O-CG2 3.27Å; T402-N408 HydrophobicContact CG2-CB 3.99Å; T402-A411 HydrophobicContact CG2-CB 3.63Å; T402-N412 WeakPolarHBondContact CB-O 3.38Å; T402-N412 PolarHBondContact OG1-O 3.07Å; T402-L413 WeakPolarHBondContact OG1-CA 3.44Å
403	G	95.9	Very high	97	Very high	4 Å²	4	50.5 Å²	50.5	4%	0.041	30%	0.298	C	S	.	.	S	Bend	trans	80.8	-176.8	-177.7	0	0	0	0	0	113.6	G405 T406 N408 P409 A411	G403-G405 PolarHBondContact O-N 3.23Å; G403-T406 PolarHBondContact N-OG1 2.96Å; G403-T406 WeakPolarHBondContact O-CB 3.5Å; G403-T406 WeakPolarHBondContact O-CG2 3.4Å; G403-T406 PolarHBondContact O-N 3.14Å; G403-T406 PolarHBondContact O-OG1 3.05Å; G403-N408 PolarHBondContact N-O 3.02Å; G403-P409 WeakPolarHBondContact O-CA 3.48Å; G403-A411 PolarHBondContact N-O 3.05Å; G403-A411 VanDerWaalsContact N-O 3.1Å
404	P	95.6	Very high	97	Very high	93 Å²	93	48.7 Å²	48.7	60%	0.604	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	137	-172.9	-27.6	35.3	0	0	0	113.4	T360	T360-P404 HydrophobicContact CG2-CB 4.15Å; T360-P404 VanDerWaalsContact CG2-O 3.3Å; T360-P404 WeakPolarHBondContact CG2-O 3.32Å
405	G	93.2	Very high	97	Very high	79 Å²	79	48.7 Å²	48.7	81%	0.814	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	1.9	179.6	0	0	0	0	0	115.6	G403	G403-G405 PolarHBondContact O-N 3.23Å
406	T	96.9	Very high	97.1	Very high	28 Å²	28	45.7 Å²	45.7	17%	0.172	28%	0.278	C	S	.	.	S	Bend	trans	-108.4	174.6	176.7	73.2	0	0	0	0	112.4	P359 P401 T402 G403 N408	P359-T406 HydrophobicContact CB-CG2 3.41Å; P359-T406 VanDerWaalsContact CB-CG2 3.41Å; P359-T406 HydrophobicContact CG-CG2 3.84Å; P401-T406 WeakPolarHBondContact O-CB 3.39Å; P401-T406 PolarHBondContact O-OG1 2.92Å; T402-T406 VanDerWaalsContact C-OG1 3.31Å; T402-T406 WeakPolarHBondContact CA-OG1 3.4Å; T402-T406 WeakPolarHBondContact O-CG2 3.27Å; G403-T406 PolarHBondContact N-OG1 2.96Å; G403-T406 WeakPolarHBondContact O-CB 3.5Å; G403-T406 WeakPolarHBondContact O-CG2 3.4Å; G403-T406 PolarHBondContact O-N 3.14Å; G403-T406 PolarHBondContact O-OG1 3.05Å; T406-N408 PolarHBondContact O-N 3Å; T406-N408 PolarHBondContact OG1-N 3.46Å; T406-N408 VanDerWaalsContact OG1-N 3.08Å; T406-N408 PolarHBondContact OG1-O 2.85Å
407	N	96.3	Very high	97.2	Very high	159 Å²	159	45.2 Å²	45.2	85%	0.85	28%	0.275	S	S	*	.	S	Bend	trans	-70.6	-8.7	170.2	-67.9	-31.2	0	0	0	113	P409	N407-P409 WeakPolarHBondContact O-CD 3.46Å
408	N	96.7	Very high	97.1	Very high	39 Å²	39	45.2 Å²	45.2	21%	0.209	28%	0.275	C	S	.	.			trans	-124.7	59.1	-177.8	-49.1	-76.1	0	0	0	110.5	P401 T402 G403 T406 N410 A411 P452	P401-N408 PolarHBondContact O-ND2 2.8Å; T402-N408 HydrophobicContact CG2-CB 3.99Å; G403-N408 PolarHBondContact N-O 3.02Å; T406-N408 PolarHBondContact O-N 3Å; T406-N408 PolarHBondContact OG1-N 3.46Å; T406-N408 VanDerWaalsContact OG1-N 3.08Å; T406-N408 PolarHBondContact OG1-O 2.85Å; N408-N410 PolarHBondContact O-N 2.89Å; N408-N410 VanDerWaalsContact O-N 3.13Å; N408-A411 HydrophobicContact CB-CB 4.18Å; N408-A411 PolarHBondContact O-N 3.34Å; N408-A411 VanDerWaalsContact O-N 3.14Å; N408-P452 PolarHBondContact ND2-O 2.83Å; N408-P452 VanDerWaalsContact ND2-O 3.14Å
409	P	96.5	Very high	97.1	Very high	69 Å²	69	42.8 Å²	42.8	45%	0.448	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21.7	-164.8	27	-36.6	0	0	0	115.1	G403 N407	G403-P409 WeakPolarHBondContact O-CA 3.48Å; N407-P409 WeakPolarHBondContact O-CD 3.46Å
410	N	95.3	Very high	97.1	Very high	159 Å²	159	44.6 Å²	44.6	85%	0.85	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-4.5	-178.5	-59.6	-43.2	0	0	0	113.3	N408	N408-N410 PolarHBondContact O-N 2.89Å; N408-N410 VanDerWaalsContact O-N 3.13Å
411	A	95.9	Very high	97	Very high	42 Å²	42	45.9 Å²	45.9	35%	0.347	28%	0.28	S	S	.	.	S	Bend	trans	-81.8	143.4	174.4	0	0	0	0	0	109.5	T402 G403 N408 L413	T402-A411 HydrophobicContact CG2-CB 3.63Å; G403-A411 PolarHBondContact N-O 3.05Å; G403-A411 VanDerWaalsContact N-O 3.1Å; N408-A411 HydrophobicContact CB-CB 4.18Å; N408-A411 PolarHBondContact O-N 3.34Å; N408-A411 VanDerWaalsContact O-N 3.14Å; A411-L413 PolarHBondContact O-N 3.25Å
412	N	94.6	Very high	97	Very high	110 Å²	110	45 Å²	45	59%	0.588	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-59.4	136.8	178.8	-74.6	12.1	0	0	0	110.6	T402 M414	T402-N412 WeakPolarHBondContact CB-O 3.38Å; T402-N412 PolarHBondContact OG1-O 3.07Å; N412-M414 PolarHBondContact O-N 3.1Å
413	L	97.5	Very high	97.1	Very high	29 Å²	29	45.9 Å²	45.9	15%	0.152	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-70.6	126.3	169.3	-179.1	64.4	0	0	0	108.7	D358 P359 W399 T402 A411	D358-L413 HydrophobicContact CB-CD2 4.33Å; P359-L413 HydrophobicContact CG-CD1 3.99Å; W399-L413 HydrophobicContact CE3-CD1 3.68Å; W399-L413 HydrophobicContact CE3-CD2 3.87Å; W399-L413 HydrophobicContact CE3-CG 3.67Å; W399-L413 HydrophobicContact CH2-CD2 4.35Å; W399-L413 HydrophobicContact CZ3-CD1 4.22Å; W399-L413 HydrophobicContact CZ3-CD2 3.56Å; W399-L413 HydrophobicContact CZ3-CG 3.68Å; T402-L413 WeakPolarHBondContact OG1-CA 3.44Å; A411-L413 PolarHBondContact O-N 3.25Å
414	M	98.2	Very high	97.2	Very high	18 Å²	18	45.7 Å²	45.7	9%	0.089	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	153.8	178.6	-63.1	176.5	-78.6	0	0	109.8	W399 S400 N412 W427 I435 F450 T471	W399-M414 WeakPolarHBondContact CA-O 3.39Å; S400-M414 PolarHBondContact N-O 3.45Å; S400-M414 PolarHBondContact OG-N 3.03Å; S400-M414 PolarHBondContact OG-O 3.38Å; N412-M414 PolarHBondContact O-N 3.1Å; M414-W427 VanDerWaalsContact CA-O 3.31Å; M414-W427 WeakPolarHBondContact CA-O 3.41Å; M414-I435 HydrophobicContact CG-CD1 3.99Å; M414-I435 HydrophobicContact SD-CD1 4.3Å; M414-F450 HydrophobicContact CB-CZ 4.23Å; M414-F450 HydrophobicContact CE-CE1 4.19Å; M414-T471 HydrophobicContact CE-CG2 4.43Å
415	L	98.8	Very high	97.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.3	168.1	-175.9	72.3	0	0	0	108.8	A365 L373 I375 I397 K398 W399 L426 W427 V429	A365-L415 HydrophobicContact CB-CD1 3.87Å; A365-L415 HydrophobicContact CB-CD2 3.76Å; L373-L415 HydrophobicContact CD1-CD2 3.58Å; L373-L415 HydrophobicContact CD1-CG 4.32Å; L373-L415 HydrophobicContact CD2-CD2 3.42Å; L373-L415 VanDerWaalsContact CD2-CD2 3.42Å; L373-L415 HydrophobicContact CG-CD2 4.05Å; I375-L415 HydrophobicContact CD1-CD2 3.71Å; I397-L415 HydrophobicContact CB-CD1 4.38Å; K398-L415 WeakPolarHBondContact O-CD1 3.5Å; W399-L415 HydrophobicContact CD2-CB 4.49Å; W399-L415 HydrophobicContact CD2-CD1 3.64Å; W399-L415 HydrophobicContact CE3-CB 4.05Å; W399-L415 HydrophobicContact CE3-CD1 4.08Å; W399-L415 HydrophobicContact CG-CD1 3.89Å; W399-L415 HydrophobicContact CZ2-CD1 4.37Å; W399-L415 HydrophobicContact CZ3-CB 4.18Å; L415-L426 CarbonylContact O-C 3.46Å; L415-L426 WeakPolarHBondContact O-CA 3.36Å; L415-W427 HydrophobicContact CB-CB 4.31Å; L415-W427 PolarHBondContact N-O 2.87Å; L415-W427 PolarHBondContact O-N 3.36Å; L415-V429 HydrophobicContact CB-CG2 3.58Å; L415-V429 HydrophobicContact CD2-CG2 4.03Å; L415-V429 HydrophobicContact CG-CG2 4.47Å
416	A	98.9	Very high	97.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	141.1	169.7	0	0	0	0	0	109.7	I397 K398 R425 L426 V448 F450 L457	I397-A416 WeakPolarHBondContact CA-O 3.47Å; K398-A416 PolarHBondContact N-O 3.2Å; K398-A416 PolarHBondContact O-N 3.12Å; A416-R425 CarbonylContact C-O 3.54Å; A416-R425 VanDerWaalsContact CA-O 3.31Å; A416-R425 WeakPolarHBondContact CA-O 3.33Å; A416-L426 HydrophobicContact CB-CD2 3.89Å; A416-V448 HydrophobicContact CB-CG2 4.04Å; A416-F450 HydrophobicContact CB-CE2 3.6Å; A416-F450 HydrophobicContact CB-CZ 3.79Å; A416-L457 HydrophobicContact CB-CD1 3.79Å; A416-L457 HydrophobicContact CB-CD2 3.94Å
417	S	98.8	Very high	97.7	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147.2	169.9	65	0	0	0	0	110.6	H390 T396 V424 R425 W427	H390-S417 PolarHBondContact NE2-OG 3.24Å; T396-S417 WeakPolarHBondContact O-CA 3.36Å; S417-V424 CarbonylContact O-C 3.57Å; S417-V424 WeakPolarHBondContact O-CA 3.46Å; S417-R425 PolarHBondContact N-O 3.14Å; S417-R425 PolarHBondContact O-N 3.5Å; S417-W427 PolarHBondContact OG-NE1 3.03Å
418	A	98.7	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	149.3	177.3	0	0	0	0	0	111.7	I394 Y395 T396 T423 V424 V445 V448	I394-A418 VanDerWaalsContact CG2-O 3.3Å; I394-A418 WeakPolarHBondContact CG2-O 3.4Å; Y395-A418 PolarHBondContact N-O 3.13Å; T396-A418 HydrophobicContact CG2-CB 3.74Å; T396-A418 PolarHBondContact O-N 3.48Å; T396-A418 VanDerWaalsContact O-N 3.08Å; A418-T423 WeakPolarHBondContact CA-O 3.4Å; A418-V424 HydrophobicContact CB-CG2 3.98Å; A418-V445 HydrophobicContact CB-CB 3.84Å; A418-V445 HydrophobicContact CB-CG1 3.61Å; A418-V448 HydrophobicContact CB-CG1 3.69Å
419	S	98.5	Very high	97.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	164	-162.6	173.6	0	0	0	0	113.3	H390 K392 E393 D421 S422 T423 V445	H390-S419 WeakPolarHBondContact ND1-CB 3.32Å; K392-S419 PolarHBondContact O-OG 2.91Å; E393-S419 VanDerWaalsContact O-CA 3.23Å; E393-S419 WeakPolarHBondContact O-CA 3.09Å; E393-S419 VanDerWaalsContact O-CB 3.25Å; E393-S419 WeakPolarHBondContact O-CB 3.48Å; E393-S419 PolarHBondContact O-OG 2.84Å; S419-D421 VanDerWaalsContact CB-OD1 3.3Å; S419-D421 WeakPolarHBondContact CB-OD1 2.95Å; S419-D421 PolarHBondContact O-N 3.06Å; S419-D421 PolarHBondContact OG-N 3.44Å; S419-D421 VanDerWaalsContact OG-N 3.11Å; S419-D421 PolarHBondContact OG-OD1 3.39Å; S419-S422 PolarHBondContact O-N 2.79Å; S419-T423 PolarHBondContact N-O 2.5Å; S419-V445 PolarHBondContact O-N 2.83Å; S419-V445 VanDerWaalsContact O-N 3.13Å
420	F	97.4	Very high	97.2	Very high	62 Å²	62	33.2 Å²	33.2	27%	0.272	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.4	164.1	-173.1	-96.5	0	0	0	113.1	K392 E393 Y395 S422 P444	K392-F420 HydrophobicContact CB-CB 3.91Å; K392-F420 HydrophobicContact CB-CD1 4.03Å; K392-F420 HydrophobicContact CB-CG 4.47Å; K392-F420 HydrophobicContact CD-CD1 4.34Å; K392-F420 HydrophobicContact CG-CD1 4.04Å; E393-F420 HydrophobicContact CB-CB 4.34Å; E393-F420 PolarHBondContact O-N 2.84Å; Y395-F420 HydrophobicContact CE2-CB 3.67Å; Y395-F420 AromaticContact CE2-CD2 3.88Å; Y395-F420 HydrophobicContact CE2-CD2 3.88Å; Y395-F420 HydrophobicContact CE2-CG 4.28Å; Y395-F420 AromaticContact CZ-CD2 3.89Å; Y395-F420 WeakPolarHBondContact OH-CD2 3.37Å; F420-S422 PolarHBondContact O-N 2.95Å; F420-P444 HydrophobicContact CD2-CB 3.95Å; F420-P444 HydrophobicContact CD2-CG 3.37Å; F420-P444 HydrophobicContact CE2-CG 3.55Å; F420-P444 HydrophobicContact CG-CG 4.07Å; F420-P444 HydrophobicContact CZ-CG 4.33Å
421	D	97.8	Very high	97.2	Very high	28 Å²	28	34.2 Å²	34.2	15%	0.15	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	12.9	177	72.4	12.7	0	0	0	115.1	H390 N391 K392 S419 T423	H390-D421 WeakPolarHBondContact CB-OD2 3.37Å; H390-D421 IonicContact CG-OD2 3.54Å; H390-D421 IonicContact ND1-OD1 2.69Å; H390-D421 PolarHBondContact ND1-OD1 2.7Å; H390-D421 IonicContact ND1-OD2 2.76Å; H390-D421 PolarHBondContact ND1-OD2 3.08Å; N391-D421 PolarHBondContact N-OD2 2.82Å; K392-D421 HydrophobicContact CB-CB 3.87Å; K392-D421 HydrophobicContact CG-CB 3.76Å; S419-D421 VanDerWaalsContact CB-OD1 3.3Å; S419-D421 WeakPolarHBondContact CB-OD1 2.95Å; S419-D421 PolarHBondContact O-N 3.06Å; S419-D421 PolarHBondContact OG-N 3.44Å; S419-D421 VanDerWaalsContact OG-N 3.11Å; S419-D421 PolarHBondContact OG-OD1 3.39Å; D421-T423 PolarHBondContact O-N 3.31Å; D421-T423 VanDerWaalsContact O-N 3.12Å; D421-T423 VanDerWaalsContact OD1-CB 3.29Å; D421-T423 WeakPolarHBondContact OD1-CB 3.4Å; D421-T423 PolarHBondContact OD1-N 2.94Å; D421-T423 PolarHBondContact OD1-OG1 2.91Å; D421-T423 PolarHBondContact OD2-OG1 2.88Å
422	S	98.3	Very high	97.2	Very high	25 Å²	25	33.2 Å²	33.2	18%	0.175	16%	0.164	C	C	.	.	S	Bend	trans	62.3	3.4	-175.6	86.2	0	0	0	0	116	S419 F420 H441 E443	S419-S422 PolarHBondContact O-N 2.79Å; F420-S422 PolarHBondContact O-N 2.95Å; S422-H441 WeakPolarHBondContact CB-O 3.18Å; S422-H441 WeakPolarHBondContact O-CB 3.47Å; S422-H441 PolarHBondContact OG-O 3.24Å; S422-E443 WeakPolarHBondContact CA-O 3.34Å; S422-E443 WeakPolarHBondContact CB-O 3.35Å
423	T	98.7	Very high	97.3	Very high	20 Å²	20	31.9 Å²	31.9	12%	0.123	16%	0.156	C	C	.	.			trans	-93.4	148.9	179.6	72.7	0	0	0	0	112.7	H390 A418 S419 D421 T439	H390-T423 PolarHBondContact CE1-O 2.97Å; H390-T423 PolarHBondContact CE1-OG1 3.27Å; H390-T423 VanDerWaalsContact CE1-OG1 3.23Å; H390-T423 PolarHBondContact ND1-OG1 2.95Å; A418-T423 WeakPolarHBondContact CA-O 3.4Å; S419-T423 PolarHBondContact N-O 2.5Å; D421-T423 PolarHBondContact O-N 3.31Å; D421-T423 VanDerWaalsContact O-N 3.12Å; D421-T423 VanDerWaalsContact OD1-CB 3.29Å; D421-T423 WeakPolarHBondContact OD1-CB 3.4Å; D421-T423 PolarHBondContact OD1-N 2.94Å; D421-T423 PolarHBondContact OD1-OG1 2.91Å; D421-T423 PolarHBondContact OD2-OG1 2.88Å; T423-T439 HydrophobicContact CG2-CG2 4.33Å
424	V	98.9	Very high	97.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.4	166.6	-176.9	0	0	0	0	108.2	S417 A418 L438 V445 V448 L457	S417-V424 CarbonylContact O-C 3.57Å; S417-V424 WeakPolarHBondContact O-CA 3.46Å; A418-V424 HydrophobicContact CB-CG2 3.98Å; V424-L438 HydrophobicContact CB-CB 4.14Å; V424-L438 HydrophobicContact CB-CD1 4.1Å; V424-L438 HydrophobicContact CG1-CD1 3.98Å; V424-L438 PolarHBondContact N-O 3.46Å; V424-L438 WeakPolarHBondContact O-CB 3.27Å; V424-L438 PolarHBondContact O-N 2.84Å; V424-V445 HydrophobicContact CG2-CB 4.3Å; V424-V445 HydrophobicContact CG2-CG1 3.82Å; V424-V445 HydrophobicContact CG2-CG2 4.03Å; V424-V448 HydrophobicContact CG1-CG1 3.92Å; V424-V448 HydrophobicContact CG2-CG1 4.27Å; V424-L457 HydrophobicContact CG1-CD2 3.65Å
425	R	98.8	Very high	97.4	Very high	45 Å²	45	34.7 Å²	34.7	17%	0.17	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	143.4	177.9	-67.7	-175.3	-173.5	-169.6	5.2	111.4	A389 A416 S417 W427 H436 T437	A389-R425 WeakPolarHBondContact O-CD 3.22Å; A389-R425 PolarHBondContact O-NE 3.47Å; A389-R425 PolarHBondContact O-NH1 3.31Å; A416-R425 CarbonylContact C-O 3.54Å; A416-R425 VanDerWaalsContact CA-O 3.31Å; A416-R425 WeakPolarHBondContact CA-O 3.33Å; S417-R425 PolarHBondContact N-O 3.14Å; S417-R425 PolarHBondContact O-N 3.5Å; R425-W427 HydrophobicContact CB-CZ2 4Å; R425-W427 HydrophobicContact CG-CZ2 4.47Å; R425-H436 WeakPolarHBondContact CA-O 3.47Å; R425-T437 HydrophobicContact CG-CG2 4.04Å
426	L	98.8	Very high	97.4	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.7	172	-73.9	172.2	0	0	0	109.1	L415 A416 C434 I435 H436 F450 L457 T471	L415-L426 CarbonylContact O-C 3.46Å; L415-L426 WeakPolarHBondContact O-CA 3.36Å; A416-L426 HydrophobicContact CB-CD2 3.89Å; L426-C434 CarbonylContact O-C 3.41Å; L426-I435 HydrophobicContact CB-CB 4.48Å; L426-I435 PolarHBondContact O-N 2.88Å; L426-H436 HydrophobicContact CB-CB 4.31Å; L426-H436 HydrophobicContact CD1-CB 4.41Å; L426-H436 PolarHBondContact N-O 2.99Å; L426-H436 PolarHBondContact O-N 2.87Å; L426-F450 HydrophobicContact CD2-CE1 3.89Å; L426-F450 HydrophobicContact CD2-CZ 3.58Å; L426-L457 HydrophobicContact CD2-CD2 4.05Å; L426-L457 HydrophobicContact CG-CD2 4.47Å; L426-T471 HydrophobicContact CD1-CG2 4.22Å
427	W	98.6	Very high	97.3	Very high	13 Å²	13	40 Å²	40	5%	0.049	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.7	-172.7	-56.5	88.6	0	0	0	111.4	L387 A389 M414 L415 S417 R425 V429 I433 C434	L387-W427 HydrophobicContact CB-CH2 4.41Å; L387-W427 HydrophobicContact CB-CZ3 4.24Å; L387-W427 HydrophobicContact CD1-CD2 4.04Å; L387-W427 HydrophobicContact CD1-CE3 3.67Å; L387-W427 HydrophobicContact CD1-CZ3 4.06Å; A389-W427 VanDerWaalsContact CA-CZ2 3.49Å; A389-W427 HydrophobicContact CB-CH2 4.01Å; A389-W427 HydrophobicContact CB-CZ2 3.43Å; A389-W427 VanDerWaalsContact CB-CZ2 3.43Å; M414-W427 VanDerWaalsContact CA-O 3.31Å; M414-W427 WeakPolarHBondContact CA-O 3.41Å; L415-W427 HydrophobicContact CB-CB 4.31Å; L415-W427 PolarHBondContact N-O 2.87Å; L415-W427 PolarHBondContact O-N 3.36Å; S417-W427 PolarHBondContact OG-NE1 3.03Å; R425-W427 HydrophobicContact CB-CZ2 4Å; R425-W427 HydrophobicContact CG-CZ2 4.47Å; W427-V429 HydrophobicContact CB-CG2 4.48Å; W427-I433 WeakPolarHBondContact CA-O 3.41Å; W427-C434 HydrophobicContact CD2-CB 4.31Å; W427-C434 HydrophobicContact CE3-CB 3.78Å; W427-C434 HydrophobicContact CH2-CB 3.91Å; W427-C434 HydrophobicContact CZ2-CB 4.41Å; W427-C434 HydrophobicContact CZ3-CB 3.58Å
428	D	97	Very high	97.3	Very high	15 Å²	15	40.2 Å²	40.2	8%	0.08	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	104.8	161.2	-177.9	-42.2	0	0	0	105.9	D430 R431 G432 I433 I435	D428-D430 PolarHBondContact OD1-N 2.91Å; D428-R431 HydrophobicContact CB-CB 4.34Å; D428-R431 WeakPolarHBondContact OD1-CB 3.49Å; D428-R431 WeakPolarHBondContact OD1-CG 3.36Å; D428-R431 PolarHBondContact OD1-N 3.4Å; D428-R431 WeakPolarHBondContact OD2-CD 3.24Å; D428-R431 IonicContact OD2-NE 3.2Å; D428-G432 WeakPolarHBondContact O-CA 3.33Å; D428-G432 PolarHBondContact O-N 3.17Å; D428-I433 HydrophobicContact CB-CG1 4Å; D428-I433 PolarHBondContact N-O 2.79Å; D428-I433 PolarHBondContact O-N 2.84Å; D428-I433 VanDerWaalsContact O-N 3.12Å; D428-I435 HydrophobicContact CB-CD1 3.9Å; D428-I435 HydrophobicContact CB-CG1 3.86Å
429	V	89.9	Confident	97.3	Very high	3 Å²	3	45 Å²	45	2%	0.018	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-36	-173	174.5	0	0	0	0	111.6	L363 I375 H385 W399 L415 W427 R431 G432	L363-V429 HydrophobicContact CD1-CG1 4.4Å; I375-V429 HydrophobicContact CB-CG1 4.35Å; I375-V429 HydrophobicContact CD1-CG1 3.92Å; I375-V429 HydrophobicContact CD1-CG2 4.19Å; I375-V429 HydrophobicContact CG1-CG1 3.71Å; I375-V429 HydrophobicContact CG2-CG1 3.88Å; H385-V429 PolarHBondContact CD2-O 2.88Å; H385-V429 PolarHBondContact NE2-O 2.88Å; H385-V429 VanDerWaalsContact NE2-O 3.08Å; W399-V429 HydrophobicContact CH2-CB 3.83Å; W399-V429 HydrophobicContact CH2-CG1 3.74Å; W399-V429 HydrophobicContact CH2-CG2 3.62Å; W399-V429 HydrophobicContact CZ3-CB 3.83Å; W399-V429 HydrophobicContact CZ3-CG1 4.26Å; W399-V429 HydrophobicContact CZ3-CG2 3.51Å; L415-V429 HydrophobicContact CB-CG2 3.58Å; L415-V429 HydrophobicContact CD2-CG2 4.03Å; L415-V429 HydrophobicContact CG-CG2 4.47Å; W427-V429 HydrophobicContact CB-CG2 4.48Å; V429-R431 PolarHBondContact O-N 2.85Å; V429-G432 PolarHBondContact O-N 3.17Å; V429-G432 VanDerWaalsContact O-N 3.09Å
430	D	92.3	Very high	97.3	Very high	129 Å²	129	48.4 Å²	48.4	69%	0.69	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.6	179.1	-73.5	-22.7	0	0	0	111.7	D428	D428-D430 PolarHBondContact OD1-N 2.91Å
431	R	95.2	Very high	97.4	Very high	179 Å²	179	45.7 Å²	45.7	68%	0.675	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-14.7	176.7	-64.3	-178.9	-176.7	-170.4	1.4	113.4	D428 V429 I433	D428-R431 HydrophobicContact CB-CB 4.34Å; D428-R431 WeakPolarHBondContact OD1-CB 3.49Å; D428-R431 WeakPolarHBondContact OD1-CG 3.36Å; D428-R431 PolarHBondContact OD1-N 3.4Å; D428-R431 WeakPolarHBondContact OD2-CD 3.24Å; D428-R431 IonicContact OD2-NE 3.2Å; V429-R431 PolarHBondContact O-N 2.85Å; R431-I433 VanDerWaalsContact C-N 3.33Å; R431-I433 HydrophobicContact CB-CD1 4.14Å; R431-I433 HydrophobicContact CB-CG1 3.86Å; R431-I433 HydrophobicContact CB-CG2 4.42Å; R431-I433 PolarHBondContact O-N 3.28Å
432	G	95.2	Very high	97.4	Very high	21 Å²	21	50.1 Å²	50.1	22%	0.216	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	33.4	-174.8	0	0	0	0	0	113.7	D428 V429	D428-G432 WeakPolarHBondContact O-CA 3.33Å; D428-G432 PolarHBondContact O-N 3.17Å; V429-G432 PolarHBondContact O-N 3.17Å; V429-G432 VanDerWaalsContact O-N 3.09Å
433	I	97.8	Very high	97.3	Very high	83 Å²	83	53.3 Å²	53.3	43%	0.426	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.1	-176.6	64.8	175.4	0	0	0	112.3	W427 D428 R431	W427-I433 WeakPolarHBondContact CA-O 3.41Å; D428-I433 HydrophobicContact CB-CG1 4Å; D428-I433 PolarHBondContact N-O 2.79Å; D428-I433 PolarHBondContact O-N 2.84Å; D428-I433 VanDerWaalsContact O-N 3.12Å; R431-I433 VanDerWaalsContact C-N 3.33Å; R431-I433 HydrophobicContact CB-CD1 4.14Å; R431-I433 HydrophobicContact CB-CG1 3.86Å; R431-I433 HydrophobicContact CB-CG2 4.42Å; R431-I433 PolarHBondContact O-N 3.28Å
434	C	98.4	Very high	97.3	Very high	44 Å²	44	52.8 Å²	52.8	30%	0.297	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.8	168.1	-171.5	0	0	0	0	109.1	L426 W427 H436	L426-C434 CarbonylContact O-C 3.41Å; W427-C434 HydrophobicContact CD2-CB 4.31Å; W427-C434 HydrophobicContact CE3-CB 3.78Å; W427-C434 HydrophobicContact CH2-CB 3.91Å; W427-C434 HydrophobicContact CZ2-CB 4.41Å; W427-C434 HydrophobicContact CZ3-CB 3.58Å; C434-H436 PolarHBondContact SG-O 2.72Å
435	I	98.1	Very high	97.3	Very high	62 Å²	62	52.8 Å²	52.8	32%	0.318	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-50.3	175.2	-50	171.6	0	0	0	109.6	M414 L426 D428	M414-I435 HydrophobicContact CG-CD1 3.99Å; M414-I435 HydrophobicContact SD-CD1 4.3Å; L426-I435 HydrophobicContact CB-CB 4.48Å; L426-I435 PolarHBondContact O-N 2.88Å; D428-I435 HydrophobicContact CB-CD1 3.9Å; D428-I435 HydrophobicContact CB-CG1 3.86Å
436	H	98.5	Very high	97.2	Very high	42 Å²	42	53.5 Å²	53.5	19%	0.194	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	144	-175.5	-64.6	-57.1	0	0	0	111.2	R425 L426 C434 L438 T471 Q472 T473 G474	R425-H436 WeakPolarHBondContact CA-O 3.47Å; L426-H436 HydrophobicContact CB-CB 4.31Å; L426-H436 HydrophobicContact CD1-CB 4.41Å; L426-H436 PolarHBondContact N-O 2.99Å; L426-H436 PolarHBondContact O-N 2.87Å; C434-H436 PolarHBondContact SG-O 2.72Å; H436-L438 HydrophobicContact CB-CD2 4.14Å; H436-T471 PolarHBondContact CD2-O 3.13Å; H436-Q472 PolarHBondContact NE2-O 2.86Å; H436-T473 VanDerWaalsContact CE1-C 3.42Å; H436-T473 PolarHBondContact CE1-O 2.98Å; H436-G474 PolarHBondContact NE2-N 2.78Å
437	T	98.6	Very high	97.2	Very high	69 Å²	69	53.7 Å²	53.7	42%	0.423	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120	167.3	-58.5	0	0	0	0	108.2	R425 T439	R425-T437 HydrophobicContact CG-CG2 4.04Å; T437-T439 HydrophobicContact CG2-CG2 3.85Å
438	L	98.6	Very high	97.2	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.2	-172.2	-45.9	169.4	0	0	0	107.9	V424 H436 L457 W469 G474	V424-L438 HydrophobicContact CB-CB 4.14Å; V424-L438 HydrophobicContact CB-CD1 4.1Å; V424-L438 HydrophobicContact CG1-CD1 3.98Å; V424-L438 PolarHBondContact N-O 3.46Å; V424-L438 WeakPolarHBondContact O-CB 3.27Å; V424-L438 PolarHBondContact O-N 2.84Å; H436-L438 HydrophobicContact CB-CD2 4.14Å; L438-L457 HydrophobicContact CD1-CD2 4.31Å; L438-W469 HydrophobicContact CB-CD2 4.12Å; L438-W469 HydrophobicContact CB-CE3 4.13Å; L438-W469 HydrophobicContact CB-CH2 3.91Å; L438-W469 HydrophobicContact CB-CZ2 3.96Å; L438-W469 HydrophobicContact CB-CZ3 4.01Å; L438-W469 HydrophobicContact CD1-CB 4Å; L438-W469 HydrophobicContact CD1-CD2 3.77Å; L438-W469 HydrophobicContact CD1-CE3 4.28Å; L438-W469 HydrophobicContact CD1-CG 3.62Å; L438-W469 HydrophobicContact CD2-CD2 4.14Å; L438-W469 HydrophobicContact CD2-CE3 3.78Å; L438-W469 HydrophobicContact CD2-CZ3 4.2Å; L438-W469 HydrophobicContact CG-CD2 4.22Å; L438-W469 HydrophobicContact CG-CE3 4.27Å; L438-G474 VanDerWaalsContact CD2-O 3.25Å; L438-G474 WeakPolarHBondContact CD2-O 3.42Å
439	T	98.4	Very high	97.3	Very high	99 Å²	99	53.1 Å²	53.1	61%	0.607	27%	0.27	S	S	*	.			trans	-123.8	14.4	-161.1	55.1	0	0	0	0	114.5	T423 T437	T423-T439 HydrophobicContact CG2-CG2 4.33Å; T437-T439 HydrophobicContact CG2-CG2 3.85Å
440	K	98.2	Very high	97.7	Very high	73 Å²	73	53.9 Å²	53.9	32%	0.317	27%	0.274	S	S	.	.			trans	-73	-30.2	-176.4	-169.2	69.3	172.8	-176.4	0	112.8	M149 H467 W469 L476	M149-K440 HydrophobicContact CE-CD 4.48Å; K440-H467 WeakPolarHBondContact CG-NE2 3.47Å; K440-W469 HydrophobicContact CB-CH2 3.5Å; K440-W469 VanDerWaalsContact CB-CH2 3.5Å; K440-W469 HydrophobicContact CB-CZ2 4.13Å; K440-W469 HydrophobicContact CB-CZ3 4.48Å; K440-L476 HydrophobicContact CG-CD2 4.33Å
441	H	98.4	Very high	98	Very high	5 Å²	5	47.8 Å²	47.8	2%	0.023	24%	0.241	C	C	.	.			trans	-66.1	145	180	-78	-56.5	0	0	0	112.2	S422 V445 S459 S461 D463 C465 H467	S422-H441 WeakPolarHBondContact CB-O 3.18Å; S422-H441 WeakPolarHBondContact O-CB 3.47Å; S422-H441 PolarHBondContact OG-O 3.24Å; H441-V445 HydrophobicContact CB-CG2 3.93Å; H441-S459 PolarHBondContact CD2-OG 3.15Å; H441-S459 PolarHBondContact NE2-OG 3.38Å; H441-S461 VanDerWaalsContact CE1-CB 3.49Å; H441-S461 WeakPolarHBondContact CE1-CB 3.33Å; H441-S461 WeakPolarHBondContact ND1-CB 3.4Å; H441-D463 WeakPolarHBondContact CA-OD2 3.49Å; H441-D463 WeakPolarHBondContact CB-OD2 3.47Å; H441-D463 IonicContact CE1-OD1 3.78Å; H441-D463 IonicContact CE1-OD2 3.67Å; H441-D463 IonicContact CG-OD2 3.63Å; H441-D463 IonicContact ND1-OD1 3.23Å; H441-D463 PolarHBondContact ND1-OD1 2.71Å; H441-D463 IonicContact ND1-OD2 3.72Å; H441-D463 PolarHBondContact ND1-OD2 2.92Å; H441-C465 PolarHBondContact CE1-O 2.77Å; H441-H467 AromaticContact CD2-CD2 3.93Å; H441-H467 AromaticContact CE1-CD2 3.34Å; H441-H467 PolarHBondContact CE1-CD2 3.34Å; H441-H467 AromaticContact CE1-CG 3.87Å; H441-H467 AromaticContact CE1-NE2 4Å; H441-H467 AromaticContact CG-CD2 3.9Å; H441-H467 AromaticContact ND1-CD2 3.53Å; H441-H467 AromaticContact ND1-NE2 3.88Å; H441-H467 AromaticContact NE2-CD2 3.59Å
442	Q	97.9	Very high	98.2	Very high	120 Å²	120	41.8 Å²	41.8	56%	0.561	23%	0.225	S	C	*	.			trans	-109.8	-8	-176.2	-62.2	-168.9	-38.6	0	0	114.4	M149 D463	M149-Q442 HydrophobicContact CE-CG 3.59Å; M149-Q442 VanDerWaalsContact SD-CD 3.51Å; M149-Q442 HydrophobicContact SD-CG 4.22Å; M149-Q442 PolarHBondContact SD-NE2 2.97Å; M149-Q442 VanDerWaalsContact SD-NE2 3.39Å; Q442-D463 HydrophobicContact CB-CB 4.23Å; Q442-D463 PolarHBondContact N-OD2 3.2Å
443	E	97.9	Very high	98.3	Very high	92 Å²	92	43.2 Å²	43.2	43%	0.43	23%	0.228	S	C	.	.	S	Bend	trans	-138.1	167.7	-176.8	-68.6	-71.4	178.5	0	0	108.9	S422 V445 S461 F462 D463	S422-E443 WeakPolarHBondContact CA-O 3.34Å; S422-E443 WeakPolarHBondContact CB-O 3.35Å; E443-V445 PolarHBondContact O-N 3.46Å; E443-S461 VanDerWaalsContact C-OG 3.32Å; E443-S461 PolarHBondContact O-OG 3.01Å; E443-F462 HydrophobicContact CB-CB 4.08Å; E443-D463 HydrophobicContact CB-CB 3.91Å; E443-D463 VanDerWaalsContact CB-N 3.33Å; E443-D463 HydrophobicContact CG-CB 3.9Å
444	P	97.7	Very high	98.3	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.065	21%	0.209	C	C	.	.			trans	-47.2	137.2	179.8	-33.2	38.7	0	0	0	114.3	Y395 F420 Y446 S461 F462	Y395-P444 HydrophobicContact CE2-CB 4.22Å; F420-P444 HydrophobicContact CD2-CB 3.95Å; F420-P444 HydrophobicContact CD2-CG 3.37Å; F420-P444 HydrophobicContact CE2-CG 3.55Å; F420-P444 HydrophobicContact CG-CG 4.07Å; F420-P444 HydrophobicContact CZ-CG 4.33Å; P444-Y446 HydrophobicContact CB-CD2 4.46Å; P444-Y446 HydrophobicContact CB-CE2 3.79Å; P444-S461 WeakPolarHBondContact O-CA 3.36Å; P444-S461 WeakPolarHBondContact O-CB 3.44Å; P444-S461 PolarHBondContact O-OG 2.85Å; P444-S461 VanDerWaalsContact O-OG 3.04Å; P444-F462 PolarHBondContact O-N 2.95Å; P444-F462 VanDerWaalsContact O-N 3.15Å
445	V	98.4	Very high	98.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	110.8	177.9	-175.5	0	0	0	0	109	A418 S419 V424 H441 E443 V448 G460	A418-V445 HydrophobicContact CB-CB 3.84Å; A418-V445 HydrophobicContact CB-CG1 3.61Å; S419-V445 PolarHBondContact O-N 2.83Å; S419-V445 VanDerWaalsContact O-N 3.13Å; V424-V445 HydrophobicContact CG2-CB 4.3Å; V424-V445 HydrophobicContact CG2-CG1 3.82Å; V424-V445 HydrophobicContact CG2-CG2 4.03Å; H441-V445 HydrophobicContact CB-CG2 3.93Å; E443-V445 PolarHBondContact O-N 3.46Å; V445-V448 HydrophobicContact CG1-CG1 4.33Å; V445-G460 WeakPolarHBondContact CG1-O 3.42Å
446	Y	97.5	Very high	98.3	Very high	60 Å²	60	46.2 Å²	46.2	24%	0.235	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-23.9	-175.3	-71.3	-79.3	0	0	0	113.5	Y395 T396 P444 G460 F462	Y395-Y446 AromaticContact CD2-CD1 3.91Å; Y395-Y446 HydrophobicContact CD2-CD1 3.91Å; Y395-Y446 AromaticContact CD2-CE1 3.89Å; Y395-Y446 HydrophobicContact CD2-CE1 3.89Å; Y395-Y446 HydrophobicContact CE2-CD1 4.3Å; Y395-Y446 AromaticContact CE2-CE1 3.8Å; Y395-Y446 HydrophobicContact CE2-CE1 3.8Å; Y395-Y446 HydrophobicContact CG-CD1 4.45Å; T396-Y446 WeakPolarHBondContact CG2-O 3.48Å; P444-Y446 HydrophobicContact CB-CD2 4.46Å; P444-Y446 HydrophobicContact CB-CE2 3.79Å; Y446-G460 PolarHBondContact N-O 2.96Å; Y446-F462 AromaticContact CD2-CD2 3.36Å; Y446-F462 HydrophobicContact CD2-CD2 3.36Å; Y446-F462 AromaticContact CD2-CE2 3.65Å; Y446-F462 HydrophobicContact CD2-CE2 3.65Å; Y446-F462 HydrophobicContact CD2-CG 4.2Å; Y446-F462 HydrophobicContact CE2-CB 4.2Å; Y446-F462 HydrophobicContact CE2-CD1 4.35Å; Y446-F462 AromaticContact CE2-CD2 3.23Å; Y446-F462 HydrophobicContact CE2-CD2 3.23Å; Y446-F462 AromaticContact CE2-CE2 3.54Å; Y446-F462 HydrophobicContact CE2-CE2 3.54Å; Y446-F462 AromaticContact CE2-CG 3.67Å; Y446-F462 HydrophobicContact CE2-CG 3.67Å; Y446-F462 HydrophobicContact CE2-CZ 4.23Å
447	S	98.3	Very high	98.3	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	140.2	-175.1	-173.5	0	0	0	0	113.2	S459 G460 F487 V489	S447-S459 WeakPolarHBondContact O-CA 3.46Å; S447-G460 PolarHBondContact O-N 3.46Å; S447-F487 WeakPolarHBondContact CB-O 3.28Å; S447-V489 PolarHBondContact OG-N 3.05Å; S447-V489 VanDerWaalsContact OG-N 3.15Å
448	V	98.9	Very high	98.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.3	168.2	-63	0	0	0	0	109.9	T396 K398 A416 A418 V424 V445 L457 A458	T396-V448 HydrophobicContact CG2-CG1 4.46Å; T396-V448 HydrophobicContact CG2-CG2 3.94Å; K398-V448 HydrophobicContact CB-CG2 4.43Å; K398-V448 HydrophobicContact CG-CG2 4.04Å; K398-V448 VanDerWaalsContact CG-O 3.27Å; K398-V448 WeakPolarHBondContact CG-O 3.45Å; K398-V448 PolarHBondContact NZ-O 2.78Å; A416-V448 HydrophobicContact CB-CG2 4.04Å; A418-V448 HydrophobicContact CB-CG1 3.69Å; V424-V448 HydrophobicContact CG1-CG1 3.92Å; V424-V448 HydrophobicContact CG2-CG1 4.27Å; V445-V448 HydrophobicContact CG1-CG1 4.33Å; V448-L457 HydrophobicContact CB-CD1 4.22Å; V448-A458 CarbonylContact C-O 3.52Å; V448-A458 WeakPolarHBondContact CA-O 3.42Å
449	A	98.9	Very high	98.4	Very high	15 Å²	15	40.7 Å²	40.7	12%	0.124	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	130.4	176.1	0	0	0	0	0	111.3	A458 V489 W491	A449-A458 PolarHBondContact N-O 3.01Å; A449-A458 PolarHBondContact O-N 2.81Å; A449-V489 HydrophobicContact CB-CG2 4.38Å; A449-V489 WeakPolarHBondContact CB-O 3.37Å; A449-W491 PolarHBondContact O-NE1 3.31Å
450	F	98.8	Very high	98.4	Very high	20 Å²	20	36 Å²	36	9%	0.088	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	147.1	172.4	-75.5	-86.1	0	0	0	111.1	K398 W399 P401 M414 A416 L426 Y456 L457 T471 W491	K398-F450 HydrophobicContact CB-CD2 4.24Å; K398-F450 HydrophobicContact CB-CE2 4.4Å; K398-F450 WeakPolarHBondContact O-CE2 3.49Å; W399-F450 WeakPolarHBondContact O-CD2 3.1Å; P401-F450 HydrophobicContact CG-CB 4.49Å; M414-F450 HydrophobicContact CB-CZ 4.23Å; M414-F450 HydrophobicContact CE-CE1 4.19Å; A416-F450 HydrophobicContact CB-CE2 3.6Å; A416-F450 HydrophobicContact CB-CZ 3.79Å; L426-F450 HydrophobicContact CD2-CE1 3.89Å; L426-F450 HydrophobicContact CD2-CZ 3.58Å; F450-Y456 CarbonylContact C-O 3.55Å; F450-Y456 WeakPolarHBondContact CA-O 3.31Å; F450-L457 HydrophobicContact CD1-CD1 3.88Å; F450-L457 HydrophobicContact CD2-CD1 3.77Å; F450-L457 HydrophobicContact CE1-CD1 3.92Å; F450-L457 HydrophobicContact CE2-CD1 3.79Å; F450-L457 HydrophobicContact CG-CD1 3.82Å; F450-L457 HydrophobicContact CZ-CD1 3.88Å; F450-T471 HydrophobicContact CD1-CG2 3.94Å; F450-T471 HydrophobicContact CE1-CG2 3.7Å; F450-W491 VanDerWaalsContact C-CD1 3.49Å
451	S	98.7	Very high	98.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.007	15%	0.15	C	C	.	.			trans	-61.2	155.7	162.8	58.8	0	0	0	0	110.4	P401 D453 G454 R455 Y456	P401-S451 VanDerWaalsContact CG-O 3.3Å; P401-S451 WeakPolarHBondContact CG-O 3.2Å; S451-D453 WeakPolarHBondContact CB-OD1 3.3Å; S451-D453 PolarHBondContact O-N 2.91Å; S451-D453 PolarHBondContact OG-OD1 3.14Å; S451-G454 WeakPolarHBondContact O-CA 3.37Å; S451-G454 PolarHBondContact O-N 2.77Å; S451-R455 PolarHBondContact OG-N 3.22Å; S451-Y456 PolarHBondContact N-O 3.47Å; S451-Y456 PolarHBondContact OG-N 2.7Å; S451-Y456 PolarHBondContact OG-O 3.15Å
452	P	98.1	Very high	98.3	Very high	53 Å²	53	33.9 Å²	33.9	34%	0.344	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-23.1	-179	-27.1	35.5	0	0	0	115.3	P401 N408	P401-P452 WeakPolarHBondContact CG-O 3.46Å; N408-P452 PolarHBondContact ND2-O 2.83Å; N408-P452 VanDerWaalsContact ND2-O 3.14Å
453	D	97.7	Very high	98.3	Very high	51 Å²	51	29.1 Å²	29.1	27%	0.273	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-4.5	175.6	70	-5.8	0	0	0	113.9	S451 R455	S451-D453 WeakPolarHBondContact CB-OD1 3.3Å; S451-D453 PolarHBondContact O-N 2.91Å; S451-D453 PolarHBondContact OG-OD1 3.14Å; D453-R455 HydrophobicContact CB-CG 4.35Å; D453-R455 PolarHBondContact O-N 3.27Å; D453-R455 WeakPolarHBondContact OD1-CB 3.45Å; D453-R455 PolarHBondContact OD1-N 2.99Å; D453-R455 WeakPolarHBondContact OD2-CD 3.46Å; D453-R455 WeakPolarHBondContact OD2-CG 3.4Å; D453-R455 IonicContact OD2-NE 3.95Å
454	G	98.2	Very high	98.3	Very high	3 Å²	3	28.4 Å²	28.4	3%	0.031	13%	0.13	C	C	.	.	S	Bend	trans	71.5	6.1	-178.4	0	0	0	0	0	115.4	S451 T471	S451-G454 WeakPolarHBondContact O-CA 3.37Å; S451-G454 PolarHBondContact O-N 2.77Å; G454-T471 WeakPolarHBondContact O-CG2 3.41Å; G454-T471 PolarHBondContact O-OG1 2.85Å
455	R	98.3	Very high	98.4	Very high	162 Å²	162	28.6 Å²	28.6	61%	0.611	13%	0.132	S	C	*	.	S	Bend	trans	-82.2	-21.1	-176.8	-62.5	-173.2	-169.9	-175.4	2.3	113.8	S451 D453 T471	S451-R455 PolarHBondContact OG-N 3.22Å; D453-R455 HydrophobicContact CB-CG 4.35Å; D453-R455 PolarHBondContact O-N 3.27Å; D453-R455 WeakPolarHBondContact OD1-CB 3.45Å; D453-R455 PolarHBondContact OD1-N 2.99Å; D453-R455 WeakPolarHBondContact OD2-CD 3.46Å; D453-R455 WeakPolarHBondContact OD2-CG 3.4Å; D453-R455 IonicContact OD2-NE 3.95Å; R455-T471 VanDerWaalsContact C-OG1 3.24Å; R455-T471 WeakPolarHBondContact CA-OG1 3.45Å; R455-T471 PolarHBondContact O-N 2.76Å; R455-T471 PolarHBondContact O-OG1 2.84Å; R455-T471 VanDerWaalsContact O-OG1 3.04Å
456	Y	98.7	Very high	98.4	Very high	86 Å²	86	28.7 Å²	28.7	34%	0.337	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	148.6	178.4	-56.3	-73.8	0	0	0	111.2	F450 S451 I468 W469 V477 W491	F450-Y456 CarbonylContact C-O 3.55Å; F450-Y456 WeakPolarHBondContact CA-O 3.31Å; S451-Y456 PolarHBondContact N-O 3.47Å; S451-Y456 PolarHBondContact OG-N 2.7Å; S451-Y456 PolarHBondContact OG-O 3.15Å; Y456-I468 HydrophobicContact CD1-CG2 4.31Å; Y456-I468 HydrophobicContact CG-CG2 4.36Å; Y456-W469 CarbonylContact C-O 3.55Å; Y456-W469 WeakPolarHBondContact CA-O 3.27Å; Y456-V477 HydrophobicContact CD1-CG2 3.85Å; Y456-V477 HydrophobicContact CE1-CG1 4.49Å; Y456-V477 HydrophobicContact CE1-CG2 3.95Å; Y456-W491 HydrophobicContact CG-CH2 4.42Å
457	L	98.9	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.9	170.9	-173.6	76.7	0	0	0	108.1	A416 V424 L426 L438 V448 F450 I468 W469 T471	A416-L457 HydrophobicContact CB-CD1 3.79Å; A416-L457 HydrophobicContact CB-CD2 3.94Å; V424-L457 HydrophobicContact CG1-CD2 3.65Å; L426-L457 HydrophobicContact CD2-CD2 4.05Å; L426-L457 HydrophobicContact CG-CD2 4.47Å; L438-L457 HydrophobicContact CD1-CD2 4.31Å; V448-L457 HydrophobicContact CB-CD1 4.22Å; F450-L457 HydrophobicContact CD1-CD1 3.88Å; F450-L457 HydrophobicContact CD2-CD1 3.77Å; F450-L457 HydrophobicContact CE1-CD1 3.92Å; F450-L457 HydrophobicContact CE2-CD1 3.79Å; F450-L457 HydrophobicContact CG-CD1 3.82Å; F450-L457 HydrophobicContact CZ-CD1 3.88Å; L457-I468 CarbonylContact O-C 3.55Å; L457-I468 WeakPolarHBondContact O-CA 3.17Å; L457-W469 HydrophobicContact CB-CB 4.44Å; L457-W469 PolarHBondContact N-O 2.92Å; L457-W469 VanDerWaalsContact O-CD1 3.27Å; L457-W469 PolarHBondContact O-N 3.24Å; L457-T471 HydrophobicContact CB-CG2 3.95Å
458	A	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	140.3	166.1	0	0	0	0	0	109.3	V448 A449 H467 I468 V489 W491 V498	V448-A458 CarbonylContact C-O 3.52Å; V448-A458 WeakPolarHBondContact CA-O 3.42Å; A449-A458 PolarHBondContact N-O 3.01Å; A449-A458 PolarHBondContact O-N 2.81Å; A458-H467 CarbonylContact C-O 3.57Å; A458-H467 WeakPolarHBondContact CA-O 3.09Å; A458-I468 HydrophobicContact CB-CD1 3.56Å; A458-V489 HydrophobicContact CB-CB 4.28Å; A458-V489 HydrophobicContact CB-CG2 3.97Å; A458-W491 HydrophobicContact CB-CZ2 4.14Å; A458-V498 HydrophobicContact CB-CG1 4.27Å; A458-V498 HydrophobicContact CB-CG2 4.49Å
459	S	98.9	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.6	169.4	60.3	0	0	0	0	110.9	H441 S447 V466 H467 W469	H441-S459 PolarHBondContact CD2-OG 3.15Å; H441-S459 PolarHBondContact NE2-OG 3.38Å; S447-S459 WeakPolarHBondContact O-CA 3.46Å; S459-V466 WeakPolarHBondContact O-CA 3.35Å; S459-H467 PolarHBondContact N-O 2.78Å; S459-H467 PolarHBondContact O-N 2.83Å; S459-W469 PolarHBondContact OG-NE1 3.08Å
460	G	98.7	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.9	177.6	0	0	0	0	0	111.6	V445 Y446 S447	V445-G460 WeakPolarHBondContact CG1-O 3.42Å; Y446-G460 PolarHBondContact N-O 2.96Å; S447-G460 PolarHBondContact O-N 3.46Å
461	S	98.5	Very high	98.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	162	-175.8	170.2	0	0	0	0	112.5	H441 E443 P444 D463 K464 C465 I486	H441-S461 VanDerWaalsContact CE1-CB 3.49Å; H441-S461 WeakPolarHBondContact CE1-CB 3.33Å; H441-S461 WeakPolarHBondContact ND1-CB 3.4Å; E443-S461 VanDerWaalsContact C-OG 3.32Å; E443-S461 PolarHBondContact O-OG 3.01Å; P444-S461 WeakPolarHBondContact O-CA 3.36Å; P444-S461 WeakPolarHBondContact O-CB 3.44Å; P444-S461 PolarHBondContact O-OG 2.85Å; P444-S461 VanDerWaalsContact O-OG 3.04Å; S461-D463 VanDerWaalsContact CB-OD1 3.25Å; S461-D463 WeakPolarHBondContact CB-OD1 3.37Å; S461-D463 PolarHBondContact O-N 2.81Å; S461-D463 VanDerWaalsContact OG-CG 3.26Å; S461-D463 PolarHBondContact OG-N 3.06Å; S461-D463 VanDerWaalsContact OG-N 3.16Å; S461-D463 PolarHBondContact OG-OD1 3.46Å; S461-K464 PolarHBondContact O-N 3.28Å; S461-C465 PolarHBondContact N-O 2.74Å; S461-I486 PolarHBondContact O-N 3.02Å
462	F	97	Very high	98.4	Very high	35 Å²	35	34.2 Å²	34.2	15%	0.154	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4.8	171	-97.7	-129.2	0	0	0	114.6	E443 P444 Y446 K464 F487	E443-F462 HydrophobicContact CB-CB 4.08Å; P444-F462 PolarHBondContact O-N 2.95Å; P444-F462 VanDerWaalsContact O-N 3.15Å; Y446-F462 AromaticContact CD2-CD2 3.36Å; Y446-F462 HydrophobicContact CD2-CD2 3.36Å; Y446-F462 AromaticContact CD2-CE2 3.65Å; Y446-F462 HydrophobicContact CD2-CE2 3.65Å; Y446-F462 HydrophobicContact CD2-CG 4.2Å; Y446-F462 HydrophobicContact CE2-CB 4.2Å; Y446-F462 HydrophobicContact CE2-CD1 4.35Å; Y446-F462 AromaticContact CE2-CD2 3.23Å; Y446-F462 HydrophobicContact CE2-CD2 3.23Å; Y446-F462 AromaticContact CE2-CE2 3.54Å; Y446-F462 HydrophobicContact CE2-CE2 3.54Å; Y446-F462 AromaticContact CE2-CG 3.67Å; Y446-F462 HydrophobicContact CE2-CG 3.67Å; Y446-F462 HydrophobicContact CE2-CZ 4.23Å; F462-K464 PolarHBondContact O-N 2.85Å; F462-K464 VanDerWaalsContact O-N 3.14Å; F462-F487 AromaticContact CE2-CD1 3.87Å; F462-F487 HydrophobicContact CE2-CD1 3.87Å; F462-F487 AromaticContact CE2-CE1 3.76Å; F462-F487 HydrophobicContact CE2-CE1 3.76Å; F462-F487 HydrophobicContact CE2-CE2 4.43Å; F462-F487 HydrophobicContact CE2-CG 4.27Å; F462-F487 HydrophobicContact CE2-CZ 4.07Å; F462-F487 HydrophobicContact CZ-CD1 4.17Å; F462-F487 AromaticContact CZ-CE1 3.57Å; F462-F487 HydrophobicContact CZ-CE1 3.57Å; F462-F487 HydrophobicContact CZ-CE2 4.13Å; F462-F487 AromaticContact CZ-CZ 3.56Å; F462-F487 HydrophobicContact CZ-CZ 3.56Å
463	D	97.8	Very high	98.4	Very high	19 Å²	19	35.7 Å²	35.7	10%	0.102	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-0.1	166.7	66	13.2	0	0	0	112.6	H441 Q442 E443 S461 C465	H441-D463 WeakPolarHBondContact CA-OD2 3.49Å; H441-D463 WeakPolarHBondContact CB-OD2 3.47Å; H441-D463 IonicContact CE1-OD1 3.78Å; H441-D463 IonicContact CE1-OD2 3.67Å; H441-D463 IonicContact CG-OD2 3.63Å; H441-D463 IonicContact ND1-OD1 3.23Å; H441-D463 PolarHBondContact ND1-OD1 2.71Å; H441-D463 IonicContact ND1-OD2 3.72Å; H441-D463 PolarHBondContact ND1-OD2 2.92Å; Q442-D463 HydrophobicContact CB-CB 4.23Å; Q442-D463 PolarHBondContact N-OD2 3.2Å; E443-D463 HydrophobicContact CB-CB 3.91Å; E443-D463 VanDerWaalsContact CB-N 3.33Å; E443-D463 HydrophobicContact CG-CB 3.9Å; S461-D463 VanDerWaalsContact CB-OD1 3.25Å; S461-D463 WeakPolarHBondContact CB-OD1 3.37Å; S461-D463 PolarHBondContact O-N 2.81Å; S461-D463 VanDerWaalsContact OG-CG 3.26Å; S461-D463 PolarHBondContact OG-N 3.06Å; S461-D463 VanDerWaalsContact OG-N 3.16Å; S461-D463 PolarHBondContact OG-OD1 3.46Å; D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 WeakPolarHBondContact OD1-CA 3.43Å; D463-C465 WeakPolarHBondContact OD1-CB 3.29Å; D463-C465 PolarHBondContact OD1-N 2.9Å
464	K	98.3	Very high	98.4	Very high	77 Å²	77	34 Å²	34	34%	0.335	16%	0.161	S	C	.	.	S	Bend	trans	74.5	13.2	178	-45.9	173.4	172.9	162.6	0	113	S461 F462 G482 T483 G484	S461-K464 PolarHBondContact O-N 3.28Å; F462-K464 PolarHBondContact O-N 2.85Å; F462-K464 VanDerWaalsContact O-N 3.14Å; K464-G482 PolarHBondContact O-N 3.18Å; K464-T483 WeakPolarHBondContact CD-O 3.3Å; K464-T483 WeakPolarHBondContact CE-O 3.35Å; K464-G484 WeakPolarHBondContact CA-O 3.24Å; K464-G484 WeakPolarHBondContact CB-O 3.45Å
465	C	98.5	Very high	98.4	Very high	15 Å²	15	36 Å²	36	10%	0.101	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	146.7	178.9	-64	0	0	0	0	111.7	H441 S461 D463 Y480	H441-C465 PolarHBondContact CE1-O 2.77Å; S461-C465 PolarHBondContact N-O 2.74Å; D463-C465 VanDerWaalsContact C-N 3.25Å; D463-C465 WeakPolarHBondContact OD1-CA 3.43Å; D463-C465 WeakPolarHBondContact OD1-CB 3.29Å; D463-C465 PolarHBondContact OD1-N 2.9Å; C465-Y480 CarbonylContact C-O 3.58Å; C465-Y480 VanDerWaalsContact CA-O 3.26Å; C465-Y480 WeakPolarHBondContact CA-O 3.5Å
466	V	98.8	Very high	98.4	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128.1	159.2	179.6	0	0	0	0	107.4	S459 I468 S479 Y480 I486 V489 V498 A500 L510	S459-V466 WeakPolarHBondContact O-CA 3.35Å; V466-I468 HydrophobicContact CG1-CD1 4.13Å; V466-S479 CarbonylContact O-C 3.58Å; V466-S479 WeakPolarHBondContact O-CA 3.42Å; V466-Y480 PolarHBondContact N-O 2.93Å; V466-Y480 PolarHBondContact O-N 3.07Å; V466-I486 HydrophobicContact CG2-CD1 4.3Å; V466-I486 HydrophobicContact CG2-CG1 4.05Å; V466-I486 HydrophobicContact CG2-CG2 4.44Å; V466-V489 HydrophobicContact CG1-CG1 4.11Å; V466-V489 HydrophobicContact CG2-CG1 4.07Å; V466-V498 HydrophobicContact CG1-CG1 4.33Å; V466-A500 HydrophobicContact CG2-CB 3.7Å; V466-L510 HydrophobicContact CB-CD1 3.92Å; V466-L510 HydrophobicContact CG1-CD1 3.85Å; V466-L510 HydrophobicContact CG2-CD1 4.26Å
467	H	98.7	Very high	98.3	Very high	6 Å²	6	28 Å²	28	3%	0.028	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.6	175.9	-70.3	-27.5	0	0	0	110.4	K440 H441 A458 S459 W469 L476 S479	K440-H467 WeakPolarHBondContact CG-NE2 3.47Å; H441-H467 AromaticContact CD2-CD2 3.93Å; H441-H467 AromaticContact CE1-CD2 3.34Å; H441-H467 PolarHBondContact CE1-CD2 3.34Å; H441-H467 AromaticContact CE1-CG 3.87Å; H441-H467 AromaticContact CE1-NE2 4Å; H441-H467 AromaticContact CG-CD2 3.9Å; H441-H467 AromaticContact ND1-CD2 3.53Å; H441-H467 AromaticContact ND1-NE2 3.88Å; H441-H467 AromaticContact NE2-CD2 3.59Å; A458-H467 CarbonylContact C-O 3.57Å; A458-H467 WeakPolarHBondContact CA-O 3.09Å; S459-H467 PolarHBondContact N-O 2.78Å; S459-H467 PolarHBondContact O-N 2.83Å; H467-W469 HydrophobicContact CB-CZ2 3.66Å; H467-W469 AromaticContact CD2-CZ2 3.84Å; H467-L476 HydrophobicContact CB-CD1 3.62Å; H467-S479 PolarHBondContact CE1-OG 2.87Å; H467-S479 PolarHBondContact ND1-OG 3.01Å
468	I	98.7	Very high	98.3	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124.6	173.7	-47.7	-57.7	0	0	0	108.1	Y456 L457 A458 V466 V477 H478 W491 V498 L512	Y456-I468 HydrophobicContact CD1-CG2 4.31Å; Y456-I468 HydrophobicContact CG-CG2 4.36Å; L457-I468 CarbonylContact O-C 3.55Å; L457-I468 WeakPolarHBondContact O-CA 3.17Å; A458-I468 HydrophobicContact CB-CD1 3.56Å; V466-I468 HydrophobicContact CG1-CD1 4.13Å; I468-V477 HydrophobicContact CB-CG2 4.01Å; I468-V477 HydrophobicContact CG2-CG2 3.73Å; I468-V477 WeakPolarHBondContact O-CG2 3.16Å; I468-V477 PolarHBondContact O-N 3.43Å; I468-H478 HydrophobicContact CB-CB 3.88Å; I468-H478 HydrophobicContact CG1-CB 3.79Å; I468-H478 PolarHBondContact N-O 3.33Å; I468-H478 PolarHBondContact O-N 3.11Å; I468-W491 HydrophobicContact CD1-CZ2 4.15Å; I468-W491 HydrophobicContact CG2-CH2 3.91Å; I468-W491 HydrophobicContact CG2-CZ2 3.97Å; I468-V498 HydrophobicContact CD1-CG2 3.91Å; I468-L512 HydrophobicContact CD1-CD1 4.45Å; I468-L512 HydrophobicContact CG1-CD1 4.18Å; I468-L512 HydrophobicContact CG1-CD2 4.37Å; I468-L512 HydrophobicContact CG2-CD1 4.41Å
469	W	98.7	Very high	98.2	Very high	12 Å²	12	30.8 Å²	30.8	5%	0.045	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.8	-174.2	-50.1	94.3	0	0	0	110.4	L438 K440 Y456 L457 S459 H467 T471 A475 L476	L438-W469 HydrophobicContact CB-CD2 4.12Å; L438-W469 HydrophobicContact CB-CE3 4.13Å; L438-W469 HydrophobicContact CB-CH2 3.91Å; L438-W469 HydrophobicContact CB-CZ2 3.96Å; L438-W469 HydrophobicContact CB-CZ3 4.01Å; L438-W469 HydrophobicContact CD1-CB 4Å; L438-W469 HydrophobicContact CD1-CD2 3.77Å; L438-W469 HydrophobicContact CD1-CE3 4.28Å; L438-W469 HydrophobicContact CD1-CG 3.62Å; L438-W469 HydrophobicContact CD2-CD2 4.14Å; L438-W469 HydrophobicContact CD2-CE3 3.78Å; L438-W469 HydrophobicContact CD2-CZ3 4.2Å; L438-W469 HydrophobicContact CG-CD2 4.22Å; L438-W469 HydrophobicContact CG-CE3 4.27Å; K440-W469 HydrophobicContact CB-CH2 3.5Å; K440-W469 VanDerWaalsContact CB-CH2 3.5Å; K440-W469 HydrophobicContact CB-CZ2 4.13Å; K440-W469 HydrophobicContact CB-CZ3 4.48Å; Y456-W469 CarbonylContact C-O 3.55Å; Y456-W469 WeakPolarHBondContact CA-O 3.27Å; L457-W469 HydrophobicContact CB-CB 4.44Å; L457-W469 PolarHBondContact N-O 2.92Å; L457-W469 VanDerWaalsContact O-CD1 3.27Å; L457-W469 PolarHBondContact O-N 3.24Å; S459-W469 PolarHBondContact OG-NE1 3.08Å; H467-W469 HydrophobicContact CB-CZ2 3.66Å; H467-W469 AromaticContact CD2-CZ2 3.84Å; W469-T471 PolarHBondContact O-N 2.95Å; W469-A475 CarbonylContact C-O 3.59Å; W469-A475 WeakPolarHBondContact CA-O 3.3Å; W469-L476 HydrophobicContact CD2-CD1 4.22Å; W469-L476 HydrophobicContact CE3-CB 3.98Å; W469-L476 HydrophobicContact CE3-CD1 4.07Å; W469-L476 HydrophobicContact CH2-CD1 4.19Å; W469-L476 HydrophobicContact CZ2-CD1 4.29Å; W469-L476 HydrophobicContact CZ3-CB 3.83Å; W469-L476 HydrophobicContact CZ3-CD1 4.07Å
470	N	98.4	Very high	98.2	Very high	39 Å²	39	32 Å²	32	21%	0.209	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.5	165.8	-176.8	-56.6	0	0	0	109.1	Q472 T473 G474 A475 V477	N470-Q472 VanDerWaalsContact C-N 3.28Å; N470-Q472 PolarHBondContact O-N 3.35Å; N470-Q472 WeakPolarHBondContact OD1-CA 3.35Å; N470-Q472 WeakPolarHBondContact OD1-CB 3.36Å; N470-Q472 PolarHBondContact OD1-N 2.85Å; N470-T473 WeakPolarHBondContact CB-OG1 3.35Å; N470-T473 PolarHBondContact O-N 3.33Å; N470-T473 PolarHBondContact OD1-N 2.84Å; N470-T473 PolarHBondContact OD1-OG1 2.9Å; N470-G474 VanDerWaalsContact O-CA 3.3Å; N470-G474 WeakPolarHBondContact O-CA 3.14Å; N470-G474 PolarHBondContact O-N 2.84Å; N470-A475 PolarHBondContact N-O 2.86Å; N470-V477 HydrophobicContact CB-CG1 3.92Å
471	T	98.6	Very high	98.2	Very high	8 Å²	8	40 Å²	40	5%	0.049	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-23.5	-174.2	57.4	0	0	0	0	113.2	M414 L426 H436 F450 G454 R455 L457 W469	M414-T471 HydrophobicContact CE-CG2 4.43Å; L426-T471 HydrophobicContact CD1-CG2 4.22Å; H436-T471 PolarHBondContact CD2-O 3.13Å; F450-T471 HydrophobicContact CD1-CG2 3.94Å; F450-T471 HydrophobicContact CE1-CG2 3.7Å; G454-T471 WeakPolarHBondContact O-CG2 3.41Å; G454-T471 PolarHBondContact O-OG1 2.85Å; R455-T471 VanDerWaalsContact C-OG1 3.24Å; R455-T471 WeakPolarHBondContact CA-OG1 3.45Å; R455-T471 PolarHBondContact O-N 2.76Å; R455-T471 PolarHBondContact O-OG1 2.84Å; R455-T471 VanDerWaalsContact O-OG1 3.04Å; L457-T471 HydrophobicContact CB-CG2 3.95Å; W469-T471 PolarHBondContact O-N 2.95Å
472	Q	97.6	Very high	98	Very high	149 Å²	149	40.5 Å²	40.5	70%	0.696	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-40.3	178.2	-178.4	59.5	72.6	0	0	111.9	H436 N470	H436-Q472 PolarHBondContact NE2-O 2.86Å; N470-Q472 VanDerWaalsContact C-N 3.28Å; N470-Q472 PolarHBondContact O-N 3.35Å; N470-Q472 WeakPolarHBondContact OD1-CA 3.35Å; N470-Q472 WeakPolarHBondContact OD1-CB 3.36Å; N470-Q472 PolarHBondContact OD1-N 2.85Å
473	T	97.9	Very high	97.9	Very high	84 Å²	84	42.7 Å²	42.7	52%	0.515	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-16.7	-173.7	65.9	0	0	0	0	114.4	H436 N470 A475	H436-T473 VanDerWaalsContact CE1-C 3.42Å; H436-T473 PolarHBondContact CE1-O 2.98Å; N470-T473 WeakPolarHBondContact CB-OG1 3.35Å; N470-T473 PolarHBondContact O-N 3.33Å; N470-T473 PolarHBondContact OD1-N 2.84Å; N470-T473 PolarHBondContact OD1-OG1 2.9Å; T473-A475 PolarHBondContact O-N 3.47Å; T473-A475 WeakPolarHBondContact OG1-CB 3.4Å; T473-A475 PolarHBondContact OG1-N 3.47Å
474	G	97.8	Very high	97.7	Very high	15 Å²	15	41.9 Å²	41.9	16%	0.155	22%	0.22	C	C	.	.			trans	73.5	4.3	-171.3	0	0	0	0	0	113.9	H436 L438 N470	H436-G474 PolarHBondContact NE2-N 2.78Å; L438-G474 VanDerWaalsContact CD2-O 3.25Å; L438-G474 WeakPolarHBondContact CD2-O 3.42Å; N470-G474 VanDerWaalsContact O-CA 3.3Å; N470-G474 WeakPolarHBondContact O-CA 3.14Å; N470-G474 PolarHBondContact O-N 2.84Å
475	A	98	Very high	97.7	Very high	46 Å²	46	38.3 Å²	38.3	38%	0.38	21%	0.205	S	C	.	.			trans	-74.5	140.7	-177.4	0	0	0	0	0	111.8	W469 N470 T473 V477	W469-A475 CarbonylContact C-O 3.59Å; W469-A475 WeakPolarHBondContact CA-O 3.3Å; N470-A475 PolarHBondContact N-O 2.86Å; T473-A475 PolarHBondContact O-N 3.47Å; T473-A475 WeakPolarHBondContact OG1-CB 3.4Å; T473-A475 PolarHBondContact OG1-N 3.47Å; A475-V477 PolarHBondContact O-N 2.89Å
476	L	98.3	Very high	97.7	Very high	40 Å²	40	37.7 Å²	37.7	21%	0.209	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	124.5	166.3	-175.6	67	0	0	0	108.8	V155 K440 H467 W469 H478	V155-L476 HydrophobicContact CG2-CD2 4.12Å; K440-L476 HydrophobicContact CG-CD2 4.33Å; H467-L476 HydrophobicContact CB-CD1 3.62Å; W469-L476 HydrophobicContact CD2-CD1 4.22Å; W469-L476 HydrophobicContact CE3-CB 3.98Å; W469-L476 HydrophobicContact CE3-CD1 4.07Å; W469-L476 HydrophobicContact CH2-CD1 4.19Å; W469-L476 HydrophobicContact CZ2-CD1 4.29Å; W469-L476 HydrophobicContact CZ3-CB 3.83Å; W469-L476 HydrophobicContact CZ3-CD1 4.07Å; L476-H478 WeakPolarHBondContact CD1-O 3.37Å
477	V	97.7	Very high	97.6	Very high	39 Å²	39	39.9 Å²	39.9	24%	0.236	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-31.4	-179.6	-64	0	0	0	0	113.1	Y456 I468 N470 A475	Y456-V477 HydrophobicContact CD1-CG2 3.85Å; Y456-V477 HydrophobicContact CE1-CG1 4.49Å; Y456-V477 HydrophobicContact CE1-CG2 3.95Å; I468-V477 HydrophobicContact CB-CG2 4.01Å; I468-V477 HydrophobicContact CG2-CG2 3.73Å; I468-V477 WeakPolarHBondContact O-CG2 3.16Å; I468-V477 PolarHBondContact O-N 3.43Å; N470-V477 HydrophobicContact CB-CG1 3.92Å; A475-V477 PolarHBondContact O-N 2.89Å
478	H	97.8	Very high	97.6	Very high	58 Å²	58	41.9 Å²	41.9	27%	0.269	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.7	171.2	-63.7	-66.1	0	0	0	111.4	V155 I157 I468 L476 L512	V155-H478 CarbonylContact O-C 3.56Å; V155-H478 WeakPolarHBondContact O-CA 3.26Å; I157-H478 HydrophobicContact CD1-CB 4.02Å; I157-H478 HydrophobicContact CG1-CB 3.94Å; I468-H478 HydrophobicContact CB-CB 3.88Å; I468-H478 HydrophobicContact CG1-CB 3.79Å; I468-H478 PolarHBondContact N-O 3.33Å; I468-H478 PolarHBondContact O-N 3.11Å; L476-H478 WeakPolarHBondContact CD1-O 3.37Å; H478-L512 HydrophobicContact CB-CD2 4.36Å
479	S	98	Very high	97.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.1	174.5	173	0	0	0	0	109.7	V155 E156 I157 V466 H467	V155-S479 PolarHBondContact O-N 2.99Å; E156-S479 CarbonylContact C-O 3.56Å; E156-S479 WeakPolarHBondContact CA-O 3.36Å; E156-S479 VanDerWaalsContact OE2-C 3.3Å; E156-S479 VanDerWaalsContact OE2-CB 3.25Å; E156-S479 WeakPolarHBondContact OE2-CB 3.28Å; E156-S479 PolarHBondContact OE2-OG 2.9Å; I157-S479 WeakPolarHBondContact CG1-O 3.42Å; I157-S479 PolarHBondContact N-O 2.91Å; V466-S479 CarbonylContact O-C 3.58Å; V466-S479 WeakPolarHBondContact O-CA 3.42Å; H467-S479 PolarHBondContact CE1-OG 2.87Å; H467-S479 PolarHBondContact ND1-OG 3.01Å
480	Y	98.2	Very high	97.6	Very high	25 Å²	25	42 Å²	42	10%	0.098	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	128.6	169.7	167.6	-101.3	0	0	0	109.5	E156 A162 C465 V466 C508 L510	E156-Y480 WeakPolarHBondContact OE1-CA 3.27Å; A162-Y480 HydrophobicContact CB-CD2 3.86Å; A162-Y480 HydrophobicContact CB-CE2 3.47Å; A162-Y480 VanDerWaalsContact CB-CE2 3.47Å; C465-Y480 CarbonylContact C-O 3.58Å; C465-Y480 VanDerWaalsContact CA-O 3.26Å; C465-Y480 WeakPolarHBondContact CA-O 3.5Å; V466-Y480 PolarHBondContact N-O 2.93Å; V466-Y480 PolarHBondContact O-N 3.07Å; Y480-C508 HydrophobicContact CE1-CB 3.95Å; Y480-C508 PolarHBondContact OH-SG 2.85Å; Y480-L510 HydrophobicContact CD1-CD1 4.1Å; Y480-L510 HydrophobicContact CD1-CD2 3.59Å; Y480-L510 HydrophobicContact CD1-CG 4.44Å; Y480-L510 HydrophobicContact CD2-CD2 3.76Å; Y480-L510 HydrophobicContact CE1-CD2 4.01Å; Y480-L510 HydrophobicContact CE2-CD2 4.17Å; Y480-L510 HydrophobicContact CG-CD1 4.13Å; Y480-L510 HydrophobicContact CG-CD2 3.44Å; Y480-L510 VanDerWaalsContact CG-CD2 3.44Å; Y480-L510 HydrophobicContact CG-CG 4.44Å
481	R	98	Very high	97.6	Very high	168 Å²	168	41.2 Å²	41.2	63%	0.634	22%	0.217	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.1	172.4	-170.1	165.4	-171.7	-122.2	3.7	112.3	E156	E156-R481 PolarHBondContact OE1-N 3.24Å; E156-R481 VanDerWaalsContact OE1-N 3.12Å
482	G	95.4	Very high	97.6	Very high	12 Å²	12	41 Å²	41	12%	0.124	22%	0.215	C	C	.	.			trans	-88.2	-167.4	174.9	0	0	0	0	0	114	K464	K464-G482 PolarHBondContact O-N 3.18Å
483	T	95.3	Very high	97.5	Very high	80 Å²	80	36.5 Å²	36.5	49%	0.491	20%	0.204	S	C	.	.	S	Bend	trans	-101.5	-25.9	-178.7	44.7	0	0	0	0	114.1	K464 D504	K464-T483 WeakPolarHBondContact CD-O 3.3Å; K464-T483 WeakPolarHBondContact CE-O 3.35Å; T483-D504 VanDerWaalsContact CB-OD2 3.26Å; T483-D504 WeakPolarHBondContact CB-OD2 3.22Å; T483-D504 PolarHBondContact OG1-OD2 3.01Å
484	G	94.1	Very high	97.5	Very high	3 Å²	3	36 Å²	36	3%	0.031	21%	0.208	C	C	.	.	S	Bend	trans	-115.6	158.7	176.7	0	0	0	0	0	112.7	K464 D504	K464-G484 WeakPolarHBondContact CA-O 3.24Å; K464-G484 WeakPolarHBondContact CB-O 3.45Å; G484-D504 PolarHBondContact N-OD2 2.95Å
485	G	96.5	Very high	97.5	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	21%	0.21	C	C	.	.			trans	-65.6	137.1	171.5	0	0	0	0	0	110.5	A502 S503	G485-A502 CarbonylContact O-C 3.56Å; G485-A502 WeakPolarHBondContact O-CA 3.5Å; G485-S503 WeakPolarHBondContact CA-OG 3.3Å; G485-S503 PolarHBondContact N-OG 3.1Å; G485-S503 PolarHBondContact O-N 2.98Å; G485-S503 PolarHBondContact O-OG 3.09Å
486	I	98.3	Very high	97.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127.4	-171.2	-51.5	-58.1	0	0	0	110.6	S461 V466 V489 A500 S501 A502	S461-I486 PolarHBondContact O-N 3.02Å; V466-I486 HydrophobicContact CG2-CD1 4.3Å; V466-I486 HydrophobicContact CG2-CG1 4.05Å; V466-I486 HydrophobicContact CG2-CG2 4.44Å; I486-V489 HydrophobicContact CG2-CG1 3.81Å; I486-A500 HydrophobicContact CD1-CB 4.4Å; I486-A500 HydrophobicContact CG2-CB 4.16Å; I486-S501 WeakPolarHBondContact CA-O 3.24Å; I486-A502 HydrophobicContact CD1-CB 4.03Å
487	F	97	Very high	97.5	Very high	46 Å²	46	34.6 Å²	34.6	20%	0.202	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-52.5	174.3	-76.4	-72.2	0	0	0	112	E171 V172 F173 S447 F462 S501	E171-F487 HydrophobicContact CB-CE2 3.93Å; E171-F487 HydrophobicContact CG-CE2 4.19Å; V172-F487 VanDerWaalsContact O-CD2 3.32Å; V172-F487 WeakPolarHBondContact O-CD2 3.49Å; F173-F487 HydrophobicContact CD1-CD1 4.36Å; F173-F487 HydrophobicContact CD1-CD2 4.18Å; F173-F487 HydrophobicContact CD1-CE1 4.12Å; F173-F487 AromaticContact CD1-CE2 3.91Å; F173-F487 HydrophobicContact CD1-CE2 3.91Å; F173-F487 HydrophobicContact CD1-CG 4.39Å; F173-F487 AromaticContact CD1-CZ 3.87Å; F173-F487 HydrophobicContact CD1-CZ 3.87Å; F173-F487 HydrophobicContact CE1-CE1 4.47Å; F173-F487 HydrophobicContact CE1-CE2 4.15Å; F173-F487 AromaticContact CE1-CZ 3.94Å; F173-F487 HydrophobicContact CE1-CZ 3.94Å; F173-F487 VanDerWaalsContact O-CB 3.27Å; F173-F487 WeakPolarHBondContact O-CB 3.24Å; S447-F487 WeakPolarHBondContact CB-O 3.28Å; F462-F487 AromaticContact CE2-CD1 3.87Å; F462-F487 HydrophobicContact CE2-CD1 3.87Å; F462-F487 AromaticContact CE2-CE1 3.76Å; F462-F487 HydrophobicContact CE2-CE1 3.76Å; F462-F487 HydrophobicContact CE2-CE2 4.43Å; F462-F487 HydrophobicContact CE2-CG 4.27Å; F462-F487 HydrophobicContact CE2-CZ 4.07Å; F462-F487 HydrophobicContact CZ-CD1 4.17Å; F462-F487 AromaticContact CZ-CE1 3.57Å; F462-F487 HydrophobicContact CZ-CE1 3.57Å; F462-F487 HydrophobicContact CZ-CE2 4.13Å; F462-F487 AromaticContact CZ-CZ 3.56Å; F462-F487 HydrophobicContact CZ-CZ 3.56Å; F487-S501 PolarHBondContact N-O 3.12Å
488	E	98.4	Very high	97.5	Very high	48 Å²	48	32.7 Å²	32.7	22%	0.224	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	139.2	-177.9	-169.7	167.8	-150.4	0	0	112.6	I174 C175 A500 S501	I174-E488 WeakPolarHBondContact CA-OE2 3.34Å; I174-E488 WeakPolarHBondContact CB-OE2 3.45Å; I174-E488 WeakPolarHBondContact CG2-OE2 3.49Å; C175-E488 PolarHBondContact N-OE2 3.3Å; E488-A500 CarbonylContact O-C 3.52Å; E488-A500 VanDerWaalsContact O-CA 3.28Å; E488-A500 WeakPolarHBondContact O-CA 3.4Å; E488-S501 WeakPolarHBondContact CB-OG 3.46Å; E488-S501 PolarHBondContact N-OG 2.92Å; E488-S501 PolarHBondContact O-N 2.84Å; E488-S501 PolarHBondContact O-OG 3.13Å
489	V	98.9	Very high	97.5	Very high	2 Å²	2	30 Å²	30	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.7	167.3	-64.9	0	0	0	0	110.5	S447 A449 A458 V466 I486 V498 G499 A500	S447-V489 PolarHBondContact OG-N 3.05Å; S447-V489 VanDerWaalsContact OG-N 3.15Å; A449-V489 HydrophobicContact CB-CG2 4.38Å; A449-V489 WeakPolarHBondContact CB-O 3.37Å; A458-V489 HydrophobicContact CB-CB 4.28Å; A458-V489 HydrophobicContact CB-CG2 3.97Å; V466-V489 HydrophobicContact CG1-CG1 4.11Å; V466-V489 HydrophobicContact CG2-CG1 4.07Å; I486-V489 HydrophobicContact CG2-CG1 3.81Å; V489-V498 HydrophobicContact CB-CG1 4.45Å; V489-G499 CarbonylContact C-O 3.51Å; V489-G499 VanDerWaalsContact CA-O 3.31Å; V489-G499 WeakPolarHBondContact CA-O 3.25Å; V489-A500 HydrophobicContact CG1-CB 4.09Å
490	C	98.7	Very high	97.6	Very high	14 Å²	14	30 Å²	30	10%	0.095	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	149.2	179.2	65.3	0	0	0	0	112.3	C175 W177 V498 G499	C175-C490 PolarHBondContact O-SG 3.48Å; C175-C490 VanDerWaalsContact SG-SG 3.64Å; W177-C490 PolarHBondContact NE1-O 2.86Å; C490-V498 CarbonylContact O-C 3.58Å; C490-V498 WeakPolarHBondContact O-CA 3.5Å; C490-G499 PolarHBondContact N-O 3.26Å; C490-G499 PolarHBondContact O-N 3.03Å
491	W	98.8	Very high	97.6	Very high	24 Å²	24	28.8 Å²	28.8	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	146	177.9	-68.6	82.9	0	0	0	111.8	A449 F450 Y456 A458 I468 G495 V498 L512	A449-W491 PolarHBondContact O-NE1 3.31Å; F450-W491 VanDerWaalsContact C-CD1 3.49Å; Y456-W491 HydrophobicContact CG-CH2 4.42Å; A458-W491 HydrophobicContact CB-CZ2 4.14Å; I468-W491 HydrophobicContact CD1-CZ2 4.15Å; I468-W491 HydrophobicContact CG2-CH2 3.91Å; I468-W491 HydrophobicContact CG2-CZ2 3.97Å; W491-G495 VanDerWaalsContact CZ3-O 3.26Å; W491-G495 WeakPolarHBondContact CZ3-O 3.45Å; W491-V498 HydrophobicContact CD2-CG2 3.6Å; W491-V498 HydrophobicContact CE3-CG2 3.65Å; W491-V498 HydrophobicContact CG-CG2 4.28Å; W491-V498 HydrophobicContact CH2-CG2 3.91Å; W491-V498 HydrophobicContact CZ2-CG2 3.83Å; W491-V498 HydrophobicContact CZ3-CG2 3.83Å; W491-L512 HydrophobicContact CE3-CD1 4.46Å; W491-L512 HydrophobicContact CH2-CD1 3.38Å; W491-L512 HydrophobicContact CZ2-CD1 4.41Å; W491-L512 HydrophobicContact CZ3-CD1 3.42Å; W491-L512 VanDerWaalsContact CZ3-CD1 3.42Å
492	N	98.3	Very high	97.6	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.011	14%	0.136	C	C	.	.			trans	-72.5	168.6	166.4	78.1	-26.3	0	0	0	111.3	W177 D182 A494 G495 D496 K497	W177-N492 HydrophobicContact CB-CB 4.32Å; W177-N492 VanDerWaalsContact CD1-N 3.26Å; W177-N492 HydrophobicContact CD2-CB 3.52Å; W177-N492 HydrophobicContact CE3-CB 3.8Å; W177-N492 VanDerWaalsContact CG-CA 3.46Å; W177-N492 HydrophobicContact CG-CB 3.77Å; W177-N492 HydrophobicContact CZ2-CB 4.34Å; W177-N492 HydrophobicContact CZ3-CB 4.31Å; D182-N492 PolarHBondContact OD1-ND2 2.91Å; N492-A494 PolarHBondContact O-N 2.83Å; N492-G495 PolarHBondContact O-N 2.82Å; N492-G495 PolarHBondContact OD1-N 3.26Å; N492-D496 PolarHBondContact ND2-OD1 2.91Å; N492-D496 PolarHBondContact OD1-N 3.36Å; N492-D496 PolarHBondContact OD1-OD1 3.03Å; N492-K497 HydrophobicContact CB-CB 4.33Å; N492-K497 PolarHBondContact N-O 3.03Å; N492-K497 PolarHBondContact OD1-N 3.09Å; N492-K497 PolarHBondContact OD1-O 2.96Å
493	A	97	Very high	97.6	Very high	56 Å²	56	22 Å²	22	46%	0.463	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-30.2	-176.9	0	0	0	0	0	113.6	P179 G495	P179-A493 WeakPolarHBondContact O-CB 3.31Å; A493-G495 VanDerWaalsContact C-N 3.34Å
494	A	96.9	Very high	97.5	Very high	73 Å²	73	21 Å²	21	60%	0.603	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.6	178.2	0	0	0	0	0	113.4	N492 D496	N492-A494 PolarHBondContact O-N 2.83Å; A494-D496 VanDerWaalsContact C-N 3.3Å
495	G	97.7	Very high	97.4	Very high	20 Å²	20	21 Å²	21	21%	0.206	13%	0.134	C	C	.	.	S	Bend	trans	72.1	23.2	-174.6	0	0	0	0	0	113.7	W491 N492 A493	W491-G495 VanDerWaalsContact CZ3-O 3.26Å; W491-G495 WeakPolarHBondContact CZ3-O 3.45Å; N492-G495 PolarHBondContact O-N 2.82Å; N492-G495 PolarHBondContact OD1-N 3.26Å; A493-G495 VanDerWaalsContact C-N 3.34Å
496	D	97.5	Very high	97.4	Very high	38 Å²	38	20.9 Å²	20.9	20%	0.203	13%	0.133	C	C	.	.	S	Bend	trans	-113.4	-10.7	-178.3	74	-4.7	0	0	0	113.7	N492 A494 L512 R513	N492-D496 PolarHBondContact ND2-OD1 2.91Å; N492-D496 PolarHBondContact OD1-N 3.36Å; N492-D496 PolarHBondContact OD1-OD1 3.03Å; A494-D496 VanDerWaalsContact C-N 3.3Å; D496-L512 PolarHBondContact O-N 2.81Å; D496-R513 HydrophobicContact CB-CG 3.98Å; D496-R513 WeakPolarHBondContact OD2-CD 3.42Å; D496-R513 IonicContact OD2-NE 3.13Å; D496-R513 IonicContact OD2-NH1 2.8Å
497	K	98.1	Very high	97.4	Very high	13 Å²	13	20.8 Å²	20.8	6%	0.057	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.8	174.4	-64.4	176.8	-162.5	75.8	0	111.6	W177 D182 N492 V509 L510	W177-K497 HydrophobicContact CH2-CB 4.27Å; W177-K497 HydrophobicContact CH2-CD 4.14Å; W177-K497 HydrophobicContact CZ2-CB 3.92Å; D182-K497 IonicContact OD2-NZ 2.9Å; D182-K497 PolarHBondContact OD2-NZ 3.43Å; N492-K497 HydrophobicContact CB-CB 4.33Å; N492-K497 PolarHBondContact N-O 3.03Å; N492-K497 PolarHBondContact OD1-N 3.09Å; N492-K497 PolarHBondContact OD1-O 2.96Å; K497-V509 HydrophobicContact CB-CG1 4.47Å; K497-V509 HydrophobicContact CD-CG1 4.25Å; K497-L510 CarbonylContact C-O 3.45Å; K497-L510 VanDerWaalsContact CA-O 3.22Å; K497-L510 WeakPolarHBondContact CA-O 3.43Å
498	V	98.7	Very high	97.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.6	171.7	174.4	0	0	0	0	109.2	A458 V466 I468 V489 C490 W491 V509 L510 L512	A458-V498 HydrophobicContact CB-CG1 4.27Å; A458-V498 HydrophobicContact CB-CG2 4.49Å; V466-V498 HydrophobicContact CG1-CG1 4.33Å; I468-V498 HydrophobicContact CD1-CG2 3.91Å; V489-V498 HydrophobicContact CB-CG1 4.45Å; C490-V498 CarbonylContact O-C 3.58Å; C490-V498 WeakPolarHBondContact O-CA 3.5Å; W491-V498 HydrophobicContact CD2-CG2 3.6Å; W491-V498 HydrophobicContact CE3-CG2 3.65Å; W491-V498 HydrophobicContact CG-CG2 4.28Å; W491-V498 HydrophobicContact CH2-CG2 3.91Å; W491-V498 HydrophobicContact CZ2-CG2 3.83Å; W491-V498 HydrophobicContact CZ3-CG2 3.83Å; V498-V509 CarbonylContact O-C 3.57Å; V498-V509 WeakPolarHBondContact O-CA 3.32Å; V498-L510 HydrophobicContact CB-CB 4.32Å; V498-L510 HydrophobicContact CG1-CD1 4.49Å; V498-L510 PolarHBondContact N-O 2.77Å; V498-L510 PolarHBondContact O-N 3.35Å; V498-L512 HydrophobicContact CG2-CD1 3.86Å
499	G	98.5	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	142	167.7	0	0	0	0	0	109.5	V489 C490 C508	V489-G499 CarbonylContact C-O 3.51Å; V489-G499 VanDerWaalsContact CA-O 3.31Å; V489-G499 WeakPolarHBondContact CA-O 3.25Å; C490-G499 PolarHBondContact N-O 3.26Å; C490-G499 PolarHBondContact O-N 3.03Å; G499-C508 CarbonylContact C-O 3.51Å; G499-C508 WeakPolarHBondContact CA-O 3.33Å
500	A	98.7	Very high	97.4	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.008	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.6	174.3	0	0	0	0	0	110.7	V466 I486 E488 V489 V507 C508	V466-A500 HydrophobicContact CG2-CB 3.7Å; I486-A500 HydrophobicContact CD1-CB 4.4Å; I486-A500 HydrophobicContact CG2-CB 4.16Å; E488-A500 CarbonylContact O-C 3.52Å; E488-A500 VanDerWaalsContact O-CA 3.28Å; E488-A500 WeakPolarHBondContact O-CA 3.4Å; V489-A500 HydrophobicContact CG1-CB 4.09Å; A500-V507 CarbonylContact O-C 3.56Å; A500-V507 WeakPolarHBondContact O-CA 3.29Å; A500-C508 PolarHBondContact N-O 2.88Å; A500-C508 PolarHBondContact O-N 3.11Å
501	S	98.3	Very high	97.3	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	136.5	177.7	53.6	0	0	0	0	110.7	V172 I486 F487 E488	V172-S501 CarbonylContact O-C 3.57Å; V172-S501 WeakPolarHBondContact O-CB 3.48Å; V172-S501 PolarHBondContact O-OG 3.25Å; I486-S501 WeakPolarHBondContact CA-O 3.24Å; F487-S501 PolarHBondContact N-O 3.12Å; E488-S501 WeakPolarHBondContact CB-OG 3.46Å; E488-S501 PolarHBondContact N-OG 2.92Å; E488-S501 PolarHBondContact O-N 2.84Å; E488-S501 PolarHBondContact O-OG 3.13Å
502	A	97.9	Very high	97.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.9	-168.8	0	0	0	0	0	113.8	V172 G485 I486 D504 G505 S506	V172-A502 PolarHBondContact N-O 3.39Å; G485-A502 CarbonylContact O-C 3.56Å; G485-A502 WeakPolarHBondContact O-CA 3.5Å; I486-A502 HydrophobicContact CD1-CB 4.03Å; A502-D504 WeakPolarHBondContact CB-OD1 3.43Å; A502-D504 PolarHBondContact O-N 3.3Å; A502-G505 PolarHBondContact O-N 3.14Å; A502-S506 PolarHBondContact N-O 3.44Å
503	S	94.9	Very high	96.9	Very high	36 Å²	36	21.8 Å²	21.8	25%	0.252	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.6	178.3	47.2	0	0	0	0	115.4	G485	G485-S503 WeakPolarHBondContact CA-OG 3.3Å; G485-S503 PolarHBondContact N-OG 3.1Å; G485-S503 PolarHBondContact O-N 2.98Å; G485-S503 PolarHBondContact O-OG 3.09Å
504	D	93.7	Very high	96.2	Very high	59 Å²	59	31.5 Å²	31.5	32%	0.316	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	14.1	178.8	74.6	-26	0	0	0	113.4	T483 G484 A502 S506	T483-D504 VanDerWaalsContact CB-OD2 3.26Å; T483-D504 WeakPolarHBondContact CB-OD2 3.22Å; T483-D504 PolarHBondContact OG1-OD2 3.01Å; G484-D504 PolarHBondContact N-OD2 2.95Å; A502-D504 WeakPolarHBondContact CB-OD1 3.43Å; A502-D504 PolarHBondContact O-N 3.3Å; D504-S506 VanDerWaalsContact C-N 3.28Å; D504-S506 PolarHBondContact O-N 2.78Å; D504-S506 VanDerWaalsContact OD1-CB 3.3Å; D504-S506 WeakPolarHBondContact OD1-CB 3.46Å; D504-S506 PolarHBondContact OD1-N 3.2Å; D504-S506 VanDerWaalsContact OD1-N 3.12Å; D504-S506 PolarHBondContact OD1-OG 2.84Å
505	G	93.1	Very high	96.2	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.031	15%	0.146	C	C	.	.	S	Bend	trans	81.4	0.7	-177.3	0	0	0	0	0	114.8	H168 S170 A502	H168-G505 WeakPolarHBondContact CB-O 3.29Å; S170-G505 WeakPolarHBondContact O-CA 3.14Å; A502-G505 PolarHBondContact O-N 3.14Å
506	S	96.7	Very high	96.1	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	14%	0.143	C	C	.	.			trans	-85	146.8	176.9	68.8	0	0	0	0	112.7	A502 D504	A502-S506 PolarHBondContact N-O 3.44Å; D504-S506 VanDerWaalsContact C-N 3.28Å; D504-S506 PolarHBondContact O-N 2.78Å; D504-S506 VanDerWaalsContact OD1-CB 3.3Å; D504-S506 WeakPolarHBondContact OD1-CB 3.46Å; D504-S506 PolarHBondContact OD1-N 3.2Å; D504-S506 VanDerWaalsContact OD1-N 3.12Å; D504-S506 PolarHBondContact OD1-OG 2.84Å
507	V	97.9	Very high	96	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117	165.6	-179	0	0	0	0	107.7	L165 V172 L184 W196 A500	L165-V507 WeakPolarHBondContact CA-O 3.43Å; L165-V507 HydrophobicContact CB-CB 4.26Å; L165-V507 VanDerWaalsContact CB-O 3.26Å; L165-V507 WeakPolarHBondContact CB-O 3.47Å; L165-V507 HydrophobicContact CD1-CG1 4.4Å; L165-V507 PolarHBondContact N-O 2.81Å; L165-V507 PolarHBondContact O-N 2.9Å; V172-V507 HydrophobicContact CB-CG2 4.36Å; V172-V507 HydrophobicContact CG1-CG2 3.89Å; V172-V507 HydrophobicContact CG2-CG2 4.11Å; L184-V507 HydrophobicContact CD2-CG1 3.54Å; W196-V507 HydrophobicContact CZ2-CG2 4.29Å; A500-V507 CarbonylContact O-C 3.56Å; A500-V507 WeakPolarHBondContact O-CA 3.29Å
508	C	97.4	Very high	95.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.4	-179.5	-61	0	0	0	0	110.6	V163 Y480 G499 A500 L510	V163-C508 CarbonylContact O-C 3.51Å; V163-C508 WeakPolarHBondContact O-CA 3.38Å; Y480-C508 HydrophobicContact CE1-CB 3.95Å; Y480-C508 PolarHBondContact OH-SG 2.85Å; G499-C508 CarbonylContact C-O 3.51Å; G499-C508 WeakPolarHBondContact CA-O 3.33Å; A500-C508 PolarHBondContact N-O 2.88Å; A500-C508 PolarHBondContact O-N 3.11Å; C508-L510 HydrophobicContact CB-CD2 4.43Å
509	V	97.9	Very high	95.7	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.036	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118.9	170.8	176.3	0	0	0	0	108.3	V163 L165 W177 L184 L198 K497 V498	V163-V509 HydrophobicContact CB-CB 4.36Å; V163-V509 PolarHBondContact N-O 3.06Å; V163-V509 PolarHBondContact O-N 2.83Å; L165-V509 HydrophobicContact CD1-CG2 3.86Å; W177-V509 HydrophobicContact CH2-CG1 3.91Å; W177-V509 HydrophobicContact CH2-CG2 4.38Å; W177-V509 HydrophobicContact CZ2-CG1 3.88Å; W177-V509 HydrophobicContact CZ2-CG2 4.26Å; L184-V509 HydrophobicContact CD2-CG2 3.78Å; L198-V509 HydrophobicContact CD1-CG2 4.19Å; L198-V509 HydrophobicContact CG-CG1 4.43Å; L198-V509 HydrophobicContact CG-CG2 4.12Å; K497-V509 HydrophobicContact CB-CG1 4.47Å; K497-V509 HydrophobicContact CD-CG1 4.25Å; V498-V509 CarbonylContact O-C 3.57Å; V498-V509 WeakPolarHBondContact O-CA 3.32Å
510	L	98	Very high	95.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.1	-174.1	-52.3	178.7	0	0	0	109.1	I157 A162 V466 Y480 K497 V498 C508 L512	I157-L510 HydrophobicContact CD1-CB 3.87Å; I157-L510 HydrophobicContact CD1-CD1 4.04Å; I157-L510 HydrophobicContact CD1-CD2 4.46Å; I157-L510 HydrophobicContact CD1-CG 4.34Å; A162-L510 HydrophobicContact CB-CD2 3.97Å; V466-L510 HydrophobicContact CB-CD1 3.92Å; V466-L510 HydrophobicContact CG1-CD1 3.85Å; V466-L510 HydrophobicContact CG2-CD1 4.26Å; Y480-L510 HydrophobicContact CD1-CD1 4.1Å; Y480-L510 HydrophobicContact CD1-CD2 3.59Å; Y480-L510 HydrophobicContact CD1-CG 4.44Å; Y480-L510 HydrophobicContact CD2-CD2 3.76Å; Y480-L510 HydrophobicContact CE1-CD2 4.01Å; Y480-L510 HydrophobicContact CE2-CD2 4.17Å; Y480-L510 HydrophobicContact CG-CD1 4.13Å; Y480-L510 HydrophobicContact CG-CD2 3.44Å; Y480-L510 VanDerWaalsContact CG-CD2 3.44Å; Y480-L510 HydrophobicContact CG-CG 4.44Å; K497-L510 CarbonylContact C-O 3.45Å; K497-L510 VanDerWaalsContact CA-O 3.22Å; K497-L510 WeakPolarHBondContact CA-O 3.43Å; V498-L510 HydrophobicContact CB-CB 4.32Å; V498-L510 HydrophobicContact CG1-CD1 4.49Å; V498-L510 PolarHBondContact N-O 2.77Å; V498-L510 PolarHBondContact O-N 3.35Å; C508-L510 HydrophobicContact CB-CD2 4.43Å; L510-L512 HydrophobicContact CB-CD2 4.37Å
511	D	96.9	Very high	95.3	Very high	36 Å²	36	36.9 Å²	36.9	19%	0.193	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117	174.9	-174.4	-8.8	0	0	0	110.2	K161 R513	K161-D511 HydrophobicContact CB-CB 4.13Å; K161-D511 HydrophobicContact CG-CB 4.41Å; K161-D511 PolarHBondContact O-N 2.96Å; D511-R513 VanDerWaalsContact OD1-CB 3.32Å; D511-R513 WeakPolarHBondContact OD1-CB 3.28Å; D511-R513 WeakPolarHBondContact OD1-CG 3.46Å; D511-R513 IonicContact OD1-CZ 3.86Å; D511-R513 PolarHBondContact OD1-N 2.88Å; D511-R513 IonicContact OD1-NE 3.2Å; D511-R513 PolarHBondContact OD1-NE 3.31Å; D511-R513 IonicContact OD1-NH2 3.72Å; D511-R513 IonicContact OD2-CZ 3.48Å; D511-R513 IonicContact OD2-NE 3.96Å; D511-R513 PolarHBondContact OD2-NE 3.48Å; D511-R513 IonicContact OD2-NH2 3.88Å; D511-R513 PolarHBondContact OD2-NH2 3.5Å
512	L	96.6	Very high	95.1	Very high	24 Å²	24	39.7 Å²	39.7	13%	0.126	19%	0.188	C	C	.	.			trans	-97.1	2.9	-175.5	-52.7	-172.5	0	0	0	113.3	I157 I468 H478 W491 D496 V498 L510	I157-L512 HydrophobicContact CD1-CD2 3.44Å; I157-L512 VanDerWaalsContact CD1-CD2 3.44Å; I157-L512 HydrophobicContact CG1-CD2 4.37Å; I468-L512 HydrophobicContact CD1-CD1 4.45Å; I468-L512 HydrophobicContact CG1-CD1 4.18Å; I468-L512 HydrophobicContact CG1-CD2 4.37Å; I468-L512 HydrophobicContact CG2-CD1 4.41Å; H478-L512 HydrophobicContact CB-CD2 4.36Å; W491-L512 HydrophobicContact CE3-CD1 4.46Å; W491-L512 HydrophobicContact CH2-CD1 3.38Å; W491-L512 HydrophobicContact CZ2-CD1 4.41Å; W491-L512 HydrophobicContact CZ3-CD1 3.42Å; W491-L512 VanDerWaalsContact CZ3-CD1 3.42Å; D496-L512 PolarHBondContact O-N 2.81Å; V498-L512 HydrophobicContact CG2-CD1 3.86Å; L510-L512 HydrophobicContact CB-CD2 4.37Å
513	R	93.4	Very high	94.8	Very high	88 Å²	88	42.9 Å²	42.9	33%	0.332	20%	0.203	S	C	.	.			trans	-67.5	150.5	176.3	-65	171.1	-70	-173.7	6.4	109.8	K161 E200 D496 D511	K161-R513 WeakPolarHBondContact CE-O 3.24Å; K161-R513 PolarHBondContact NZ-O 3.27Å; E200-R513 IonicContact OE1-CZ 3.33Å; E200-R513 IonicContact OE1-NH1 3.48Å; E200-R513 PolarHBondContact OE1-NH1 3.22Å; E200-R513 IonicContact OE1-NH2 3.33Å; E200-R513 PolarHBondContact OE1-NH2 3.28Å; D496-R513 HydrophobicContact CB-CG 3.98Å; D496-R513 WeakPolarHBondContact OD2-CD 3.42Å; D496-R513 IonicContact OD2-NE 3.13Å; D496-R513 IonicContact OD2-NH1 2.8Å; D511-R513 VanDerWaalsContact OD1-CB 3.32Å; D511-R513 WeakPolarHBondContact OD1-CB 3.28Å; D511-R513 WeakPolarHBondContact OD1-CG 3.46Å; D511-R513 IonicContact OD1-CZ 3.86Å; D511-R513 PolarHBondContact OD1-N 2.88Å; D511-R513 IonicContact OD1-NE 3.2Å; D511-R513 PolarHBondContact OD1-NE 3.31Å; D511-R513 IonicContact OD1-NH2 3.72Å; D511-R513 IonicContact OD2-CZ 3.48Å; D511-R513 IonicContact OD2-NE 3.96Å; D511-R513 PolarHBondContact OD2-NE 3.48Å; D511-R513 IonicContact OD2-NH2 3.88Å; D511-R513 PolarHBondContact OD2-NH2 3.5Å
514	K	81.5	Confident	94.8	Very high	259 Å²	259	43.5 Å²	43.5	100%	1.126	20%	0.199	S	C	*	.			trans	-72.5	0	180	-73.2	-170	176.1	-173.3	0	112.5	K161	K161-K514 VanDerWaalsContact NZ-C 3.27Å; K161-K514 PolarHBondContact NZ-OXT 3.45Å

Retrieved 514 of 514 residues in 103.9 ms (Link to these results)

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