A0A5K4FED0_SCHMA Loading...

Autophagy-related protein 16 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FED0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 543 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	59.8	Low	241 Å²	241	124.6 Å²	124.6	100%	1.187	65%	0.648	S	S	*	*				0	84.5	0	-74.6	-177.7	83.4	0	0	107.7
2	E	50.9	Low	61.3	Low	136 Å²	136	121.7 Å²	121.7	64%	0.636	63%	0.632	S	S	*	*			cis	33.5	105.3	20.5	-85.5	-171.5	-176.7	0	0	115.3	D5	E2-D5 HydrophobicContact CG-CB 4.14Å; E2-D5 WeakPolarHBondContact OE1-CB 2.92Å
3	K	48.8	Very low	62.7	Low	203 Å²	203	121.4 Å²	121.4	88%	0.883	63%	0.631	S	S	*	*	S	Bend		-57.6	122.2	122.3	-72.5	179.4	173.5	-179.7	0	105.4	D5	K3-D5 PolarHBondContact O-N 2.96Å
4	E	51.7	Low	63.9	Low	186 Å²	186	118.1 Å²	118.1	87%	0.869	62%	0.624	S	S	*	*			trans	-49.6	111.6	-171.6	-67.2	174.6	159.4	0	0	110.3
5	D	52	Low	64.9	Low	71 Å²	71	115.1 Å²	115.1	38%	0.38	62%	0.616	S	S	.	*			trans	-91.9	136.2	-162.3	-138.7	-5	0	0	0	110	E2 K3 K9	E2-D5 HydrophobicContact CG-CB 4.14Å; E2-D5 WeakPolarHBondContact OE1-CB 2.92Å; K3-D5 PolarHBondContact O-N 2.96Å; D5-K9 VanDerWaalsContact CG-NZ 3.26Å; D5-K9 IonicContact OD1-NZ 3.53Å; D5-K9 PolarHBondContact OD1-NZ 3.38Å; D5-K9 VanDerWaalsContact OD2-CD 3.23Å; D5-K9 WeakPolarHBondContact OD2-CD 3.31Å; D5-K9 IonicContact OD2-NZ 3.43Å; D5-K9 PolarHBondContact OD2-NZ 3.24Å
6	P	57.3	Low	65.9	Low	67 Å²	67	113.1 Å²	113.1	44%	0.435	60%	0.604	S	S	.	*			trans	-82.2	153.1	-165.9	-4.2	22.3	0	0	0	112.8	W8 K9	P6-W8 PolarHBondContact O-N 3.37Å; P6-K9 PolarHBondContact O-N 2.96Å
7	S	64.7	Low	66.9	Low	111 Å²	111	114.7 Å²	114.7	78%	0.776	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.9	-19.5	-172.4	67.7	0	0	0	0	116.9
8	W	74.6	Confident	67.6	Low	140 Å²	140	115.3 Å²	115.3	53%	0.53	60%	0.604	S	S	.	*	H	α-helix	trans	-70.7	-29.3	-179.4	65.6	-98.7	0	0	0	113.7	P6 A11 I12	P6-W8 PolarHBondContact O-N 3.37Å; W8-A11 PolarHBondContact O-N 2.94Å; W8-I12 HydrophobicContact CE3-CD1 3.64Å; W8-I12 HydrophobicContact CZ3-CD1 3.84Å; W8-I12 WeakPolarHBondContact O-CG1 3.23Å; W8-I12 PolarHBondContact O-N 3.31Å; W8-I12 VanDerWaalsContact O-N 3.14Å
9	K	71.4	Confident	68.3	Low	91 Å²	91	116.1 Å²	116.1	40%	0.396	60%	0.598	S	S	.	*	H	α-helix	trans	-70.4	-42.9	-176.4	-126.2	177.1	-172.6	172	0	112.2	D5 P6 A11 I12 L13	D5-K9 VanDerWaalsContact CG-NZ 3.26Å; D5-K9 IonicContact OD1-NZ 3.53Å; D5-K9 PolarHBondContact OD1-NZ 3.38Å; D5-K9 VanDerWaalsContact OD2-CD 3.23Å; D5-K9 WeakPolarHBondContact OD2-CD 3.31Å; D5-K9 IonicContact OD2-NZ 3.43Å; D5-K9 PolarHBondContact OD2-NZ 3.24Å; P6-K9 PolarHBondContact O-N 2.96Å; K9-A11 VanDerWaalsContact C-N 3.3Å; K9-A11 PolarHBondContact O-N 2.92Å; K9-I12 PolarHBondContact O-N 2.63Å; K9-L13 PolarHBondContact O-N 3.41Å; K9-L13 VanDerWaalsContact O-N 3.12Å
10	A	73	Confident	68.9	Low	71 Å²	71	114.6 Å²	114.6	59%	0.587	59%	0.591	S	S	*	*	H	α-helix	trans	-64.4	-36.5	175	0	0	0	0	0	111.5	L13 S14	A10-L13 PolarHBondContact O-N 3.28Å; A10-S14 WeakPolarHBondContact O-CB 3.41Å; A10-S14 PolarHBondContact O-N 3.36Å
11	A	76.5	Confident	69.4	Low	54 Å²	54	114.1 Å²	114.1	45%	0.446	59%	0.589	S	S	.	*	H	α-helix	trans	-61.6	-48.2	175	0	0	0	0	0	111.6	W8 K9 L13 S14 S15	W8-A11 PolarHBondContact O-N 2.94Å; K9-A11 VanDerWaalsContact C-N 3.3Å; K9-A11 PolarHBondContact O-N 2.92Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 2.7Å; A11-S14 PolarHBondContact O-N 2.93Å; A11-S15 PolarHBondContact O-N 2.88Å; A11-S15 PolarHBondContact O-OG 3.38Å
12	I	77.9	Confident	71.4	Confident	89 Å²	89	107 Å²	107	46%	0.456	56%	0.555	S	S	.	*	H	α-helix	trans	-61.5	-41.5	177.9	-66.2	175.3	0	0	0	111.7	W8 K9 S14 S15 L16	W8-I12 HydrophobicContact CE3-CD1 3.64Å; W8-I12 HydrophobicContact CZ3-CD1 3.84Å; W8-I12 WeakPolarHBondContact O-CG1 3.23Å; W8-I12 PolarHBondContact O-N 3.31Å; W8-I12 VanDerWaalsContact O-N 3.14Å; K9-I12 PolarHBondContact O-N 2.63Å; I12-S14 VanDerWaalsContact C-N 3.34Å; I12-S15 PolarHBondContact O-N 2.62Å; I12-L16 HydrophobicContact CG2-CD1 3.97Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CB 3.1Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.43Å
13	L	79.2	Confident	72.7	Confident	118 Å²	118	105 Å²	105	62%	0.618	55%	0.545	S	S	*	.	H	α-helix	trans	-64.7	-41.1	179.7	-128	155.7	0	0	0	111	K9 A10 A11 L16 F17	K9-L13 PolarHBondContact O-N 3.41Å; K9-L13 VanDerWaalsContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.28Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 2.7Å; L13-L16 PolarHBondContact O-N 3.28Å; L13-F17 WeakPolarHBondContact O-CB 3.18Å; L13-F17 PolarHBondContact O-N 3.49Å
14	S	79.5	Confident	74	Confident	76 Å²	76	102.1 Å²	102.1	53%	0.531	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-45.5	173.1	-163.9	0	0	0	0	111.5	A10 A11 I12 L16 F17 E18	A10-S14 WeakPolarHBondContact O-CB 3.41Å; A10-S14 PolarHBondContact O-N 3.36Å; A11-S14 PolarHBondContact O-N 2.93Å; I12-S14 VanDerWaalsContact C-N 3.34Å; S14-L16 VanDerWaalsContact C-N 3.33Å; S14-L16 PolarHBondContact O-N 2.67Å; S14-F17 PolarHBondContact O-N 3.2Å; S14-E18 WeakPolarHBondContact O-CB 3.43Å; S14-E18 PolarHBondContact O-N 3.48Å
15	S	79.5	Confident	75.2	Confident	73 Å²	73	96.2 Å²	96.2	51%	0.51	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-38.9	177.3	-50.9	0	0	0	0	112.7	A11 I12 R19	A11-S15 PolarHBondContact O-N 2.88Å; A11-S15 PolarHBondContact O-OG 3.38Å; I12-S15 PolarHBondContact O-N 2.62Å; S15-R19 WeakPolarHBondContact O-CB 3.35Å; S15-R19 PolarHBondContact O-N 2.73Å
16	L	81.4	Confident	76.4	Confident	82 Å²	82	100 Å²	100	43%	0.429	53%	0.525	S	S	.	.	H	α-helix	trans	-68.1	-39.7	176.1	-76.1	170.9	0	0	0	111.7	I12 L13 S14 R19 D20	I12-L16 HydrophobicContact CG2-CD1 3.97Å; I12-L16 HydrophobicContact CG2-CG 4.37Å; I12-L16 WeakPolarHBondContact O-CB 3.1Å; I12-L16 WeakPolarHBondContact O-CG 3.41Å; I12-L16 PolarHBondContact O-N 3.43Å; L13-L16 PolarHBondContact O-N 3.28Å; S14-L16 VanDerWaalsContact C-N 3.33Å; S14-L16 PolarHBondContact O-N 2.67Å; L16-R19 PolarHBondContact O-N 2.7Å; L16-D20 WeakPolarHBondContact O-CB 3.24Å; L16-D20 PolarHBondContact O-N 2.77Å
17	F	82	Confident	77.5	Confident	141 Å²	141	102.1 Å²	102.1	62%	0.618	53%	0.528	S	S	*	.	H	α-helix	trans	-67.4	-40	177.7	-147	-88.7	0	0	0	111.6	L13 S14 D20 I21	L13-F17 WeakPolarHBondContact O-CB 3.18Å; L13-F17 PolarHBondContact O-N 3.49Å; S14-F17 PolarHBondContact O-N 3.2Å; F17-D20 PolarHBondContact O-N 3.43Å; F17-I21 HydrophobicContact CD1-CD1 3.75Å; F17-I21 HydrophobicContact CD1-CG1 4.31Å; F17-I21 HydrophobicContact CE1-CD1 4.01Å; F17-I21 HydrophobicContact CE1-CG1 4.48Å; F17-I21 WeakPolarHBondContact O-CG1 3.25Å; F17-I21 PolarHBondContact O-N 3.42Å
18	E	79.9	Confident	78.3	Confident	126 Å²	126	100 Å²	100	59%	0.589	51%	0.511	S	S	*	.	H	α-helix	trans	-65	-43.5	175.3	-139.7	174.3	-160.7	0	0	111.2	S14 D20 I21 I22	S14-E18 WeakPolarHBondContact O-CB 3.43Å; S14-E18 PolarHBondContact O-N 3.48Å; E18-D20 PolarHBondContact O-N 2.83Å; E18-I21 PolarHBondContact O-N 2.86Å; E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.2Å; E18-I22 PolarHBondContact O-N 2.99Å
19	R	81.8	Confident	78.8	Confident	129 Å²	129	99.5 Å²	99.5	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-59.8	-45.5	173	-169.1	-166.9	73.1	179.9	0.7	111.5	S15 L16 I21 I22 E23	S15-R19 WeakPolarHBondContact O-CB 3.35Å; S15-R19 PolarHBondContact O-N 2.73Å; L16-R19 PolarHBondContact O-N 2.7Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-I21 PolarHBondContact O-N 3.26Å; R19-I22 PolarHBondContact O-N 3.29Å; R19-E23 VanDerWaalsContact CD-OE1 3.28Å; R19-E23 WeakPolarHBondContact CD-OE1 3.44Å; R19-E23 HydrophobicContact CG-CG 4.07Å; R19-E23 WeakPolarHBondContact CG-OE1 3.35Å; R19-E23 IonicContact NE-OE1 2.97Å; R19-E23 IonicContact NE-OE2 2.71Å; R19-E23 WeakPolarHBondContact O-CB 3.27Å; R19-E23 WeakPolarHBondContact O-CG 3.17Å; R19-E23 PolarHBondContact O-N 3.29Å
20	D	79.7	Confident	79.4	Confident	87 Å²	87	100.3 Å²	100.3	47%	0.465	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-38.1	-178.8	-150.8	49.2	0	0	0	111.4	L16 F17 E18 K24	L16-D20 WeakPolarHBondContact O-CB 3.24Å; L16-D20 PolarHBondContact O-N 2.77Å; F17-D20 PolarHBondContact O-N 3.43Å; E18-D20 PolarHBondContact O-N 2.83Å; D20-K24 WeakPolarHBondContact O-CB 3.38Å; D20-K24 PolarHBondContact O-N 2.95Å
21	I	79.2	Confident	80	Confident	104 Å²	104	103 Å²	103	53%	0.533	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-47.4	173.1	-69.6	167.8	0	0	0	111	F17 E18 R19 S25	F17-I21 HydrophobicContact CD1-CD1 3.75Å; F17-I21 HydrophobicContact CD1-CG1 4.31Å; F17-I21 HydrophobicContact CE1-CD1 4.01Å; F17-I21 HydrophobicContact CE1-CG1 4.48Å; F17-I21 WeakPolarHBondContact O-CG1 3.25Å; F17-I21 PolarHBondContact O-N 3.42Å; E18-I21 PolarHBondContact O-N 2.86Å; R19-I21 VanDerWaalsContact C-N 3.34Å; R19-I21 PolarHBondContact O-N 3.26Å; I21-S25 WeakPolarHBondContact O-CB 3.42Å; I21-S25 PolarHBondContact O-N 3.35Å
22	I	78.4	Confident	80.4	Confident	92 Å²	92	104.3 Å²	104.3	47%	0.472	53%	0.527	S	S	.	.	H	α-helix	trans	-65.1	-52.2	-178.7	-67.5	166.6	0	0	0	110.3	E18 R19 K24 S25 F26	E18-I22 VanDerWaalsContact O-CG1 3.28Å; E18-I22 WeakPolarHBondContact O-CG1 3.2Å; E18-I22 PolarHBondContact O-N 2.99Å; R19-I22 PolarHBondContact O-N 3.29Å; I22-K24 PolarHBondContact O-N 3.44Å; I22-S25 PolarHBondContact O-N 2.74Å; I22-S25 PolarHBondContact O-OG 2.73Å; I22-F26 HydrophobicContact CG2-CD2 4.44Å; I22-F26 HydrophobicContact CG2-CE2 3.79Å; I22-F26 WeakPolarHBondContact O-CD2 3.4Å
23	E	78.4	Confident	80.9	Confident	93 Å²	93	105.1 Å²	105.1	44%	0.435	53%	0.529	S	S	.	.	H	α-helix	trans	-62.1	-41.9	-179.5	-72.4	179.8	178.4	0	0	111.5	R19 S25 F27	R19-E23 VanDerWaalsContact CD-OE1 3.28Å; R19-E23 WeakPolarHBondContact CD-OE1 3.44Å; R19-E23 HydrophobicContact CG-CG 4.07Å; R19-E23 WeakPolarHBondContact CG-OE1 3.35Å; R19-E23 IonicContact NE-OE1 2.97Å; R19-E23 IonicContact NE-OE2 2.71Å; R19-E23 WeakPolarHBondContact O-CB 3.27Å; R19-E23 WeakPolarHBondContact O-CG 3.17Å; R19-E23 PolarHBondContact O-N 3.29Å; E23-S25 PolarHBondContact O-N 3.02Å; E23-F27 VanDerWaalsContact O-CD2 3.23Å; E23-F27 WeakPolarHBondContact O-CD2 3.29Å
24	K	76.3	Confident	81.4	Confident	143 Å²	143	106.5 Å²	106.5	62%	0.622	53%	0.527	S	S	*	.	H	α-helix	trans	-68.9	-33.5	178.8	-163.7	176.1	-169.9	175.4	0	112.6	D20 I22 F26 F27 T28	D20-K24 WeakPolarHBondContact O-CB 3.38Å; D20-K24 PolarHBondContact O-N 2.95Å; I22-K24 PolarHBondContact O-N 3.44Å; K24-F26 VanDerWaalsContact C-N 3.31Å; K24-F26 PolarHBondContact O-N 3.28Å; K24-F27 PolarHBondContact O-N 2.83Å; K24-F27 VanDerWaalsContact O-N 3.14Å; K24-T28 PolarHBondContact O-N 3.42Å; K24-T28 PolarHBondContact O-OG1 3.36Å
25	S	77.6	Confident	81.8	Confident	63 Å²	63	106.7 Å²	106.7	44%	0.441	52%	0.522	S	S	.	.	H	α-helix	trans	-57.1	-43.4	178.7	76.7	0	0	0	0	111.9	I21 I22 E23 F27 T28	I21-S25 WeakPolarHBondContact O-CB 3.42Å; I21-S25 PolarHBondContact O-N 3.35Å; I22-S25 PolarHBondContact O-N 2.74Å; I22-S25 PolarHBondContact O-OG 2.73Å; E23-S25 PolarHBondContact O-N 3.02Å; S25-F27 PolarHBondContact O-N 3.41Å; S25-T28 PolarHBondContact O-N 2.88Å; S25-T28 PolarHBondContact O-OG1 2.78Å
26	F	76.8	Confident	82.3	Confident	149 Å²	149	106.3 Å²	106.3	65%	0.654	52%	0.52	S	S	*	.	H	α-helix	trans	-63	-25.7	180	-71.1	-68.8	0	0	0	113.8	I22 K24	I22-F26 HydrophobicContact CG2-CD2 4.44Å; I22-F26 HydrophobicContact CG2-CE2 3.79Å; I22-F26 WeakPolarHBondContact O-CD2 3.4Å; K24-F26 VanDerWaalsContact C-N 3.31Å; K24-F26 PolarHBondContact O-N 3.28Å
27	F	79.8	Confident	82.7	Confident	113 Å²	113	106.2 Å²	106.2	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-98.8	-8.3	179.9	-64	-76.1	0	0	0	113.9	E23 K24 S25 D29 I30 F31	E23-F27 VanDerWaalsContact O-CD2 3.23Å; E23-F27 WeakPolarHBondContact O-CD2 3.29Å; K24-F27 PolarHBondContact O-N 2.83Å; K24-F27 VanDerWaalsContact O-N 3.14Å; S25-F27 PolarHBondContact O-N 3.41Å; F27-D29 VanDerWaalsContact C-N 3.32Å; F27-D29 PolarHBondContact O-N 3.25Å; F27-I30 HydrophobicContact CD1-CD1 4.26Å; F27-I30 PolarHBondContact O-N 3.03Å; F27-I30 VanDerWaalsContact O-N 3.15Å; F27-F31 HydrophobicContact CB-CD2 3.98Å; F27-F31 HydrophobicContact CB-CE2 3.76Å; F27-F31 WeakPolarHBondContact O-CD2 3.29Å; F27-F31 PolarHBondContact O-N 3.5Å
28	T	82.2	Confident	83.1	Confident	67 Å²	67	104.5 Å²	104.5	41%	0.411	51%	0.512	S	S	.	.	H	α-helix	trans	-60.4	-42.3	-174.3	-47.7	0	0	0	0	111.5	K24 S25 I30 F31 T32	K24-T28 PolarHBondContact O-N 3.42Å; K24-T28 PolarHBondContact O-OG1 3.36Å; S25-T28 PolarHBondContact O-N 2.88Å; S25-T28 PolarHBondContact O-OG1 2.78Å; T28-I30 VanDerWaalsContact C-N 3.34Å; T28-I30 PolarHBondContact O-N 3.49Å; T28-F31 PolarHBondContact O-N 2.91Å; T28-T32 PolarHBondContact O-N 2.87Å; T28-T32 PolarHBondContact O-OG1 3.26Å
29	D	83.7	Confident	83.7	Confident	128 Å²	128	103.3 Å²	103.3	68%	0.684	51%	0.509	S	S	*	.	H	α-helix	trans	-66	-34.6	178.4	-69.6	-14.7	0	0	0	112.9	F27 T32 Q33	F27-D29 VanDerWaalsContact C-N 3.32Å; F27-D29 PolarHBondContact O-N 3.25Å; D29-T32 WeakPolarHBondContact CA-OG1 3.33Å; D29-T32 PolarHBondContact O-OG1 2.93Å; D29-Q33 WeakPolarHBondContact O-CB 3.18Å; D29-Q33 PolarHBondContact O-N 3.46Å
30	I	85.4	Confident	84.2	Confident	108 Å²	108	101.6 Å²	101.6	55%	0.554	51%	0.509	S	S	*	.	H	α-helix	trans	-69.2	-41.6	176.6	-64.1	176.4	0	0	0	109.9	F27 T28 Y34	F27-I30 HydrophobicContact CD1-CD1 4.26Å; F27-I30 PolarHBondContact O-N 3.03Å; F27-I30 VanDerWaalsContact O-N 3.15Å; T28-I30 VanDerWaalsContact C-N 3.34Å; T28-I30 PolarHBondContact O-N 3.49Å; I30-Y34 WeakPolarHBondContact O-CB 3.3Å; I30-Y34 PolarHBondContact O-N 3.28Å
31	F	86	Confident	84.7	Confident	128 Å²	128	101.5 Å²	101.5	56%	0.561	51%	0.512	S	S	*	.	H	α-helix	trans	-68.1	-39.5	178	-76.6	-66	0	0	0	112.7	F27 T28 N35	F27-F31 HydrophobicContact CB-CD2 3.98Å; F27-F31 HydrophobicContact CB-CE2 3.76Å; F27-F31 WeakPolarHBondContact O-CD2 3.29Å; F27-F31 PolarHBondContact O-N 3.5Å; T28-F31 PolarHBondContact O-N 2.91Å; F31-N35 WeakPolarHBondContact O-CB 3.46Å; F31-N35 PolarHBondContact O-N 3.45Å; F31-N35 PolarHBondContact O-ND2 3.13Å
32	T	85	Confident	85.3	Confident	82 Å²	82	101.4 Å²	101.4	50%	0.503	51%	0.512	S	S	.	.	H	α-helix	trans	-65.2	-44	175.2	48.5	0	0	0	0	111.2	T28 D29 N35 S36	T28-T32 PolarHBondContact O-N 2.87Å; T28-T32 PolarHBondContact O-OG1 3.26Å; D29-T32 WeakPolarHBondContact CA-OG1 3.33Å; D29-T32 PolarHBondContact O-OG1 2.93Å; T32-N35 PolarHBondContact O-N 3.18Å; T32-S36 WeakPolarHBondContact O-CB 3.11Å; T32-S36 PolarHBondContact O-N 3.43Å
33	Q	87	Confident	86	Confident	105 Å²	105	103.9 Å²	103.9	49%	0.491	52%	0.516	S	S	.	.	H	α-helix	trans	-67.2	-39.6	176.9	-168.7	60.4	36.5	0	0	112.5	D29 S36 N37	D29-Q33 WeakPolarHBondContact O-CB 3.18Å; D29-Q33 PolarHBondContact O-N 3.46Å; Q33-S36 PolarHBondContact O-N 3.42Å; Q33-N37 PolarHBondContact NE2-OD1 3.06Å; Q33-N37 WeakPolarHBondContact O-CB 3.49Å; Q33-N37 PolarHBondContact O-N 3.15Å
34	Y	89.3	Confident	86.7	Confident	147 Å²	147	103.7 Å²	103.7	58%	0.576	52%	0.518	S	S	*	.	H	α-helix	trans	-62.6	-44.7	175.7	177.4	-97.3	0	0	0	111.5	I30 N37 K38	I30-Y34 WeakPolarHBondContact O-CB 3.3Å; I30-Y34 PolarHBondContact O-N 3.28Å; Y34-N37 PolarHBondContact O-N 3.49Å; Y34-K38 HydrophobicContact CE1-CD 4.35Å; Y34-K38 VanDerWaalsContact O-CB 3.23Å; Y34-K38 WeakPolarHBondContact O-CB 3.47Å; Y34-K38 PolarHBondContact O-N 2.91Å
35	N	88.5	Confident	87.5	Confident	80 Å²	80	103.8 Å²	103.8	43%	0.428	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-42.9	176.1	-75.8	-30.7	0	0	0	111.4	F31 T32 N37 K38 D39	F31-N35 WeakPolarHBondContact O-CB 3.46Å; F31-N35 PolarHBondContact O-N 3.45Å; F31-N35 PolarHBondContact O-ND2 3.13Å; T32-N35 PolarHBondContact O-N 3.18Å; N35-N37 PolarHBondContact O-N 3.13Å; N35-K38 WeakPolarHBondContact O-CB 3.32Å; N35-K38 PolarHBondContact O-N 2.63Å; N35-D39 VanDerWaalsContact O-CG 3.26Å; N35-D39 PolarHBondContact O-N 3.11Å
36	S	90.4	Very high	88.2	Confident	66 Å²	66	102.7 Å²	102.7	46%	0.462	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-44.9	175.3	-177.7	0	0	0	0	112.6	T32 Q33 D39 L40	T32-S36 WeakPolarHBondContact O-CB 3.11Å; T32-S36 PolarHBondContact O-N 3.43Å; Q33-S36 PolarHBondContact O-N 3.42Å; S36-D39 PolarHBondContact O-N 3.09Å; S36-L40 WeakPolarHBondContact O-CB 3.37Å; S36-L40 PolarHBondContact O-N 2.84Å
37	N	89.4	Confident	89.1	Confident	79 Å²	79	98.6 Å²	98.6	42%	0.422	50%	0.499	S	S	.	.	H	α-helix	trans	-65.6	-39.2	175.7	-79.8	-20	0	0	0	112	Q33 Y34 N35 D39 L40 V41	Q33-N37 PolarHBondContact NE2-OD1 3.06Å; Q33-N37 WeakPolarHBondContact O-CB 3.49Å; Q33-N37 PolarHBondContact O-N 3.15Å; Y34-N37 PolarHBondContact O-N 3.49Å; N35-N37 PolarHBondContact O-N 3.13Å; N37-D39 VanDerWaalsContact C-N 3.35Å; N37-L40 PolarHBondContact O-N 3.37Å; N37-V41 WeakPolarHBondContact O-CB 3.44Å; N37-V41 VanDerWaalsContact O-CG2 3.26Å; N37-V41 WeakPolarHBondContact O-CG2 3.45Å; N37-V41 PolarHBondContact O-N 3.04Å
38	K	91.3	Very high	89.7	Confident	106 Å²	106	98 Å²	98	46%	0.461	50%	0.502	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175.8	-178	-177.2	174.2	-171.5	0	110.9	Y34 N35 V41 L42	Y34-K38 HydrophobicContact CE1-CD 4.35Å; Y34-K38 VanDerWaalsContact O-CB 3.23Å; Y34-K38 WeakPolarHBondContact O-CB 3.47Å; Y34-K38 PolarHBondContact O-N 2.91Å; N35-K38 WeakPolarHBondContact O-CB 3.32Å; N35-K38 PolarHBondContact O-N 2.63Å; K38-V41 PolarHBondContact O-N 2.67Å; K38-L42 HydrophobicContact CG-CD1 4.37Å; K38-L42 VanDerWaalsContact O-CG 3.31Å; K38-L42 WeakPolarHBondContact O-CG 3.41Å; K38-L42 PolarHBondContact O-N 3.33Å
39	D	90.9	Very high	90.3	Very high	101 Å²	101	98.7 Å²	98.7	54%	0.54	51%	0.506	S	S	.	.	H	α-helix	trans	-64.8	-41	176.5	-68.2	-23.7	0	0	0	111.4	N35 S36 N37 L42 Y43	N35-D39 VanDerWaalsContact O-CG 3.26Å; N35-D39 PolarHBondContact O-N 3.11Å; S36-D39 PolarHBondContact O-N 3.09Å; N37-D39 VanDerWaalsContact C-N 3.35Å; D39-L42 PolarHBondContact O-N 2.62Å; D39-Y43 WeakPolarHBondContact O-CB 3.44Å; D39-Y43 PolarHBondContact O-N 3.31Å
40	L	92.1	Very high	90.8	Very high	92 Å²	92	97.8 Å²	97.8	48%	0.482	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-41.8	175.2	-174.3	64.6	0	0	0	112.1	S36 N37 L42 Y43 L44	S36-L40 WeakPolarHBondContact O-CB 3.37Å; S36-L40 PolarHBondContact O-N 2.84Å; N37-L40 PolarHBondContact O-N 3.37Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L40-Y43 WeakPolarHBondContact O-CB 3.47Å; L40-Y43 PolarHBondContact O-N 3.1Å; L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 HydrophobicContact CG-CG 4.49Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.32Å; L40-L44 WeakPolarHBondContact O-CG 3.4Å; L40-L44 PolarHBondContact O-N 2.99Å
41	V	91.7	Very high	91.2	Very high	86 Å²	86	96.7 Å²	96.7	52%	0.521	49%	0.487	S	S	.	.	H	α-helix	trans	-64.7	-40.2	176.2	168.3	0	0	0	0	111	N37 K38 K45	N37-V41 WeakPolarHBondContact O-CB 3.44Å; N37-V41 VanDerWaalsContact O-CG2 3.26Å; N37-V41 WeakPolarHBondContact O-CG2 3.45Å; N37-V41 PolarHBondContact O-N 3.04Å; K38-V41 PolarHBondContact O-N 2.67Å; V41-K45 WeakPolarHBondContact O-CB 3.46Å; V41-K45 PolarHBondContact O-N 2.84Å
42	L	91.3	Very high	91.6	Very high	102 Å²	102	94.3 Å²	94.3	53%	0.534	48%	0.484	S	S	.	.	H	α-helix	trans	-64.5	-42.2	174.7	-73.2	171.2	0	0	0	111.5	K38 D39 L40 K45 G46	K38-L42 HydrophobicContact CG-CD1 4.37Å; K38-L42 VanDerWaalsContact O-CG 3.31Å; K38-L42 WeakPolarHBondContact O-CG 3.41Å; K38-L42 PolarHBondContact O-N 3.33Å; D39-L42 PolarHBondContact O-N 2.62Å; L40-L42 VanDerWaalsContact C-N 3.34Å; L42-K45 PolarHBondContact O-N 3.22Å; L42-G46 PolarHBondContact O-N 3.03Å
43	Y	92.9	Very high	92	Very high	144 Å²	144	97.9 Å²	97.9	57%	0.565	49%	0.488	S	S	*	.	H	α-helix	trans	-60.1	-51.9	174.3	177.8	-93.7	0	0	0	111.7	D39 L40 K45 G46 E47	D39-Y43 WeakPolarHBondContact O-CB 3.44Å; D39-Y43 PolarHBondContact O-N 3.31Å; L40-Y43 WeakPolarHBondContact O-CB 3.47Å; L40-Y43 PolarHBondContact O-N 3.1Å; Y43-K45 VanDerWaalsContact C-N 3.32Å; Y43-K45 PolarHBondContact O-N 2.79Å; Y43-G46 CarbonylContact O-C 3.59Å; Y43-G46 WeakPolarHBondContact O-CA 2.8Å; Y43-G46 PolarHBondContact O-N 3.43Å; Y43-E47 PolarHBondContact O-N 2.93Å
44	L	92.6	Very high	92.3	Very high	88 Å²	88	97.9 Å²	97.9	46%	0.461	49%	0.488	S	S	.	.	H	α-helix	trans	-62.5	-37.2	178.9	-72.2	172.2	0	0	0	112.1	L40 E47 N48	L40-L44 HydrophobicContact CG-CD1 4.14Å; L40-L44 HydrophobicContact CG-CG 4.49Å; L40-L44 WeakPolarHBondContact O-CB 3.48Å; L40-L44 VanDerWaalsContact O-CG 3.32Å; L40-L44 WeakPolarHBondContact O-CG 3.4Å; L40-L44 PolarHBondContact O-N 2.99Å; L44-E47 PolarHBondContact O-N 3.47Å; L44-N48 VanDerWaalsContact O-CB 3.23Å; L44-N48 WeakPolarHBondContact O-CB 3.32Å; L44-N48 PolarHBondContact O-N 3.17Å
45	K	93.3	Very high	92.5	Very high	146 Å²	146	96 Å²	96	64%	0.635	49%	0.487	S	S	*	.	H	α-helix	trans	-61.6	-45.7	171.3	-105.7	-177	172.4	179.7	0	111.5	V41 L42 Y43 E47 N48 T49	V41-K45 WeakPolarHBondContact O-CB 3.46Å; V41-K45 PolarHBondContact O-N 2.84Å; L42-K45 PolarHBondContact O-N 3.22Å; Y43-K45 VanDerWaalsContact C-N 3.32Å; Y43-K45 PolarHBondContact O-N 2.79Å; K45-E47 VanDerWaalsContact C-N 3.33Å; K45-N48 PolarHBondContact O-N 3.33Å; K45-T49 WeakPolarHBondContact O-CB 3.26Å; K45-T49 PolarHBondContact O-N 3.42Å; K45-T49 PolarHBondContact O-OG1 3.35Å
46	G	93.1	Very high	92.7	Very high	40 Å²	40	95.1 Å²	95.1	41%	0.412	49%	0.485	S	S	.	.	H	α-helix	trans	-60.1	-44.9	176.6	0	0	0	0	0	111.7	L42 Y43 T49 R50	L42-G46 PolarHBondContact O-N 3.03Å; Y43-G46 CarbonylContact O-C 3.59Å; Y43-G46 WeakPolarHBondContact O-CA 2.8Å; Y43-G46 PolarHBondContact O-N 3.43Å; G46-T49 PolarHBondContact O-N 2.98Å; G46-R50 PolarHBondContact O-N 2.86Å
47	E	94.8	Very high	92.9	Very high	62 Å²	62	94.5 Å²	94.5	29%	0.29	48%	0.48	S	S	.	.	H	α-helix	trans	-66.1	-44.1	179.2	-154.2	-172.4	-167	0	0	112.2	Y43 L44 K45 T49 R50 L51	Y43-E47 PolarHBondContact O-N 2.93Å; L44-E47 PolarHBondContact O-N 3.47Å; K45-E47 VanDerWaalsContact C-N 3.33Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.02Å; E47-R50 WeakPolarHBondContact O-CA 3.03Å; E47-R50 WeakPolarHBondContact O-CB 3.22Å; E47-R50 PolarHBondContact O-N 2.71Å; E47-R50 VanDerWaalsContact O-N 3.07Å; E47-R50 IonicContact OE1-NH2 2.68Å; E47-R50 PolarHBondContact OE1-NH2 2.82Å; E47-R50 VanDerWaalsContact OE1-NH2 3.09Å; E47-L51 PolarHBondContact O-N 3.21Å
48	N	92.9	Very high	93.1	Very high	102 Å²	102	94.4 Å²	94.4	55%	0.545	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-38.9	176.9	-157.8	-0.4	0	0	0	111.1	L44 K45 R50 L51 V52	L44-N48 VanDerWaalsContact O-CB 3.23Å; L44-N48 WeakPolarHBondContact O-CB 3.32Å; L44-N48 PolarHBondContact O-N 3.17Å; K45-N48 PolarHBondContact O-N 3.33Å; N48-R50 VanDerWaalsContact C-N 3.29Å; N48-R50 PolarHBondContact O-N 3.09Å; N48-L51 PolarHBondContact O-N 3.41Å; N48-V52 WeakPolarHBondContact O-CB 3.43Å; N48-V52 VanDerWaalsContact O-CG2 3.26Å; N48-V52 WeakPolarHBondContact O-CG2 3.45Å; N48-V52 PolarHBondContact O-N 2.76Å
49	T	93.8	Very high	93.2	Very high	80 Å²	80	95.1 Å²	95.1	49%	0.491	49%	0.49	S	S	.	.	H	α-helix	trans	-67.2	-29.7	174.6	-47	0	0	0	0	112.3	K45 G46 E47 R53	K45-T49 WeakPolarHBondContact O-CB 3.26Å; K45-T49 PolarHBondContact O-N 3.42Å; K45-T49 PolarHBondContact O-OG1 3.35Å; G46-T49 PolarHBondContact O-N 2.98Å; E47-T49 VanDerWaalsContact C-N 3.31Å; E47-T49 PolarHBondContact O-N 3.02Å; T49-R53 PolarHBondContact O-N 3.2Å; T49-R53 PolarHBondContact O-NE 3.37Å; T49-R53 VanDerWaalsContact O-NE 3.09Å
50	R	94.6	Very high	93.3	Very high	109 Å²	109	96.7 Å²	96.7	41%	0.411	49%	0.494	S	S	.	.	H	α-helix	trans	-69.7	-50.7	171.6	-176.1	-173.6	69	-161	-5.3	110.6	G46 E47 N48 V52 R53 E54	G46-R50 PolarHBondContact O-N 2.86Å; E47-R50 WeakPolarHBondContact O-CA 3.03Å; E47-R50 WeakPolarHBondContact O-CB 3.22Å; E47-R50 PolarHBondContact O-N 2.71Å; E47-R50 VanDerWaalsContact O-N 3.07Å; E47-R50 IonicContact OE1-NH2 2.68Å; E47-R50 PolarHBondContact OE1-NH2 2.82Å; E47-R50 VanDerWaalsContact OE1-NH2 3.09Å; N48-R50 VanDerWaalsContact C-N 3.29Å; N48-R50 PolarHBondContact O-N 3.09Å; R50-V52 VanDerWaalsContact C-N 3.34Å; R50-V52 PolarHBondContact O-N 3.17Å; R50-R53 WeakPolarHBondContact O-CB 3.38Å; R50-R53 PolarHBondContact O-N 3.23Å; R50-R53 VanDerWaalsContact O-N 3.12Å; R50-E54 WeakPolarHBondContact CG-OE1 3.39Å; R50-E54 IonicContact NE-OE1 3.88Å; R50-E54 PolarHBondContact O-N 2.92Å
51	L	94.1	Very high	93.4	Very high	85 Å²	85	97.6 Å²	97.6	45%	0.445	50%	0.496	S	S	.	.	H	α-helix	trans	-61.1	-39.6	179.9	-71.7	171.3	0	0	0	112.5	E47 N48 R53 E54 L55	E47-L51 PolarHBondContact O-N 3.21Å; N48-L51 PolarHBondContact O-N 3.41Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.27Å; L51-E54 PolarHBondContact O-N 3.15Å; L51-L55 WeakPolarHBondContact O-CB 3.31Å; L51-L55 PolarHBondContact O-N 2.9Å
52	V	94	Very high	93.5	Very high	79 Å²	79	100 Å²	100	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-62.3	-42	175.1	169	0	0	0	0	111.1	N48 R50 L55 T56	N48-V52 WeakPolarHBondContact O-CB 3.43Å; N48-V52 VanDerWaalsContact O-CG2 3.26Å; N48-V52 WeakPolarHBondContact O-CG2 3.45Å; N48-V52 PolarHBondContact O-N 2.76Å; R50-V52 VanDerWaalsContact C-N 3.34Å; R50-V52 PolarHBondContact O-N 3.17Å; V52-L55 PolarHBondContact O-N 3.32Å; V52-T56 PolarHBondContact O-N 3.08Å; V52-T56 PolarHBondContact O-OG1 2.92Å
53	R	93.5	Very high	93.5	Very high	156 Å²	156	98.2 Å²	98.2	59%	0.589	50%	0.495	S	S	*	.	H	α-helix	trans	-64	-45.6	176.2	-83.3	-178.7	-75.8	142.4	-9.2	111.9	T49 R50 L51 L55 T56 S57	T49-R53 PolarHBondContact O-N 3.2Å; T49-R53 PolarHBondContact O-NE 3.37Å; T49-R53 VanDerWaalsContact O-NE 3.09Å; R50-R53 WeakPolarHBondContact O-CB 3.38Å; R50-R53 PolarHBondContact O-N 3.23Å; R50-R53 VanDerWaalsContact O-N 3.12Å; L51-R53 VanDerWaalsContact C-N 3.34Å; L51-R53 PolarHBondContact O-N 3.27Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 2.92Å; R53-T56 WeakPolarHBondContact CA-OG1 3.5Å; R53-T56 PolarHBondContact O-N 2.89Å; R53-T56 PolarHBondContact O-OG1 3.32Å; R53-S57 PolarHBondContact O-N 3.05Å
54	E	93.8	Very high	93.5	Very high	105 Å²	105	93.9 Å²	93.9	49%	0.491	49%	0.489	S	S	.	.	H	α-helix	trans	-60.1	-43.1	175.8	-72.7	171.6	-169.6	0	0	111.4	R50 L51 S57 C58	R50-E54 WeakPolarHBondContact CG-OE1 3.39Å; R50-E54 IonicContact NE-OE1 3.88Å; R50-E54 PolarHBondContact O-N 2.92Å; L51-E54 PolarHBondContact O-N 3.15Å; E54-S57 PolarHBondContact O-N 2.85Å; E54-C58 WeakPolarHBondContact O-CB 3.49Å; E54-C58 PolarHBondContact O-N 2.99Å
55	L	92.7	Very high	93.5	Very high	108 Å²	108	95.2 Å²	95.2	57%	0.565	50%	0.495	S	S	*	.	H	α-helix	trans	-62.1	-45.8	176.5	-171.8	76.1	0	0	0	111.8	L51 V52 R53 S57 C58 Q59	L51-L55 WeakPolarHBondContact O-CB 3.31Å; L51-L55 PolarHBondContact O-N 2.9Å; V52-L55 PolarHBondContact O-N 3.32Å; R53-L55 VanDerWaalsContact C-N 3.33Å; R53-L55 PolarHBondContact O-N 2.92Å; L55-S57 VanDerWaalsContact C-N 3.35Å; L55-C58 PolarHBondContact O-N 2.82Å; L55-Q59 PolarHBondContact O-N 2.83Å
56	T	94	Very high	93.4	Very high	62 Å²	62	93.1 Å²	93.1	38%	0.38	49%	0.488	S	S	.	.	H	α-helix	trans	-64.3	-38.2	176.8	43	0	0	0	0	112.5	V52 R53 Q59 Q60	V52-T56 PolarHBondContact O-N 3.08Å; V52-T56 PolarHBondContact O-OG1 2.92Å; R53-T56 WeakPolarHBondContact CA-OG1 3.5Å; R53-T56 PolarHBondContact O-N 2.89Å; R53-T56 PolarHBondContact O-OG1 3.32Å; T56-Q59 PolarHBondContact O-N 3.42Å; T56-Q60 WeakPolarHBondContact O-CG 3.34Å; T56-Q60 PolarHBondContact O-N 3.19Å
57	S	93.9	Very high	93.4	Very high	53 Å²	53	96 Å²	96	37%	0.371	49%	0.494	S	S	.	.	H	α-helix	trans	-61.8	-47.6	173.9	-165.8	0	0	0	0	110.7	R53 E54 L55 Q59 Q60 E61	R53-S57 PolarHBondContact O-N 3.05Å; E54-S57 PolarHBondContact O-N 2.85Å; L55-S57 VanDerWaalsContact C-N 3.35Å; S57-Q59 VanDerWaalsContact C-N 3.33Å; S57-Q59 PolarHBondContact O-N 2.84Å; S57-Q60 WeakPolarHBondContact O-CB 3.41Å; S57-Q60 PolarHBondContact O-N 2.78Å; S57-Q60 VanDerWaalsContact O-N 3.17Å; S57-E61 WeakPolarHBondContact O-CG 3.47Å; S57-E61 PolarHBondContact O-N 2.87Å
58	C	93.8	Very high	93.1	Very high	77 Å²	77	99.3 Å²	99.3	52%	0.52	51%	0.509	S	S	.	.	H	α-helix	trans	-64.9	-35.8	179.6	-162.9	0	0	0	0	112.3	E54 L55 K62	E54-C58 WeakPolarHBondContact O-CB 3.49Å; E54-C58 PolarHBondContact O-N 2.99Å; L55-C58 PolarHBondContact O-N 2.82Å; C58-K62 WeakPolarHBondContact O-CB 3.23Å; C58-K62 PolarHBondContact O-N 3.03Å
59	Q	93.4	Very high	93	Very high	120 Å²	120	98.4 Å²	98.4	56%	0.561	50%	0.504	S	S	*	.	H	α-helix	trans	-66.4	-41	172.4	-83	178.3	-24.5	0	0	112.6	L55 T56 S57 K62 S63	L55-Q59 PolarHBondContact O-N 2.83Å; T56-Q59 PolarHBondContact O-N 3.42Å; S57-Q59 VanDerWaalsContact C-N 3.33Å; S57-Q59 PolarHBondContact O-N 2.84Å; Q59-K62 PolarHBondContact O-N 2.82Å; Q59-S63 PolarHBondContact O-N 3.44Å; Q59-S63 PolarHBondContact O-OG 2.89Å
60	Q	93.2	Very high	92.8	Very high	134 Å²	134	100 Å²	100	63%	0.626	51%	0.505	S	S	*	.	H	α-helix	trans	-62.8	-46.5	174.7	-74.1	175.5	-1.2	0	0	111	T56 S57 K62 S63 A64	T56-Q60 WeakPolarHBondContact O-CG 3.34Å; T56-Q60 PolarHBondContact O-N 3.19Å; S57-Q60 WeakPolarHBondContact O-CB 3.41Å; S57-Q60 PolarHBondContact O-N 2.78Å; S57-Q60 VanDerWaalsContact O-N 3.17Å; Q60-K62 PolarHBondContact O-N 3.42Å; Q60-S63 PolarHBondContact O-N 3.37Å; Q60-S63 PolarHBondContact O-OG 3.28Å; Q60-A64 PolarHBondContact O-N 3.08Å
61	E	93.8	Very high	92.5	Very high	111 Å²	111	101.5 Å²	101.5	52%	0.519	52%	0.515	S	S	.	.	H	α-helix	trans	-57.9	-45.8	174.7	-74.8	172.2	-162.9	0	0	112.1	S57 S63 A64 I65	S57-E61 WeakPolarHBondContact O-CG 3.47Å; S57-E61 PolarHBondContact O-N 2.87Å; E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 3.08Å; E61-A64 PolarHBondContact O-N 2.96Å; E61-I65 VanDerWaalsContact O-CG1 3.3Å; E61-I65 WeakPolarHBondContact O-CG1 3.49Å; E61-I65 PolarHBondContact O-N 2.88Å
62	K	93.4	Very high	92.3	Very high	138 Å²	138	101 Å²	101	60%	0.6	51%	0.512	S	S	*	.	H	α-helix	trans	-58	-46	175.3	-179.6	-178.5	175.5	-178.5	0	111.7	C58 Q59 Q60 A64 I65 Q66	C58-K62 WeakPolarHBondContact O-CB 3.23Å; C58-K62 PolarHBondContact O-N 3.03Å; Q59-K62 PolarHBondContact O-N 2.82Å; Q60-K62 PolarHBondContact O-N 3.42Å; K62-A64 VanDerWaalsContact C-N 3.33Å; K62-A64 PolarHBondContact O-N 3.37Å; K62-I65 PolarHBondContact O-N 3.09Å; K62-Q66 WeakPolarHBondContact O-CB 3.42Å; K62-Q66 PolarHBondContact O-N 3.11Å
63	S	92.6	Very high	92	Very high	64 Å²	64	103.5 Å²	103.5	45%	0.448	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-37.4	179.6	72.1	0	0	0	0	112.4	Q59 Q60 E61 Q66 L67	Q59-S63 PolarHBondContact O-N 3.44Å; Q59-S63 PolarHBondContact O-OG 2.89Å; Q60-S63 PolarHBondContact O-N 3.37Å; Q60-S63 PolarHBondContact O-OG 3.28Å; E61-S63 VanDerWaalsContact C-N 3.34Å; E61-S63 PolarHBondContact O-N 3.08Å; S63-Q66 PolarHBondContact O-N 3.49Å; S63-L67 PolarHBondContact O-N 2.92Å
64	A	92.2	Very high	91.7	Very high	53 Å²	53	99.5 Å²	99.5	44%	0.438	51%	0.512	S	S	.	.	H	α-helix	trans	-66.3	-47.2	176	0	0	0	0	0	111.5	Q60 E61 K62 Q66 L67 E68	Q60-A64 PolarHBondContact O-N 3.08Å; E61-A64 PolarHBondContact O-N 2.96Å; K62-A64 VanDerWaalsContact C-N 3.33Å; K62-A64 PolarHBondContact O-N 3.37Å; A64-Q66 VanDerWaalsContact C-N 3.26Å; A64-Q66 PolarHBondContact O-N 3.29Å; A64-L67 PolarHBondContact O-N 2.68Å; A64-E68 PolarHBondContact O-N 3.4Å
65	I	92.8	Very high	91.4	Very high	115 Å²	115	98.4 Å²	98.4	59%	0.59	51%	0.513	S	S	*	.	H	α-helix	trans	-60.5	-38.7	176	-68.2	166.9	0	0	0	110.7	E61 K62 E68 L69	E61-I65 VanDerWaalsContact O-CG1 3.3Å; E61-I65 WeakPolarHBondContact O-CG1 3.49Å; E61-I65 PolarHBondContact O-N 2.88Å; K62-I65 PolarHBondContact O-N 3.09Å; I65-E68 PolarHBondContact O-N 3.32Å; I65-L69 WeakPolarHBondContact O-CB 3.32Å; I65-L69 PolarHBondContact O-N 3.48Å
66	Q	92.1	Very high	91.1	Very high	103 Å²	103	98.4 Å²	98.4	48%	0.481	51%	0.508	S	S	.	.	H	α-helix	trans	-69.3	-40.1	-179.7	-169.5	151	-6.4	0	0	112.5	K62 S63 A64 L69 E70	K62-Q66 WeakPolarHBondContact O-CB 3.42Å; K62-Q66 PolarHBondContact O-N 3.11Å; S63-Q66 PolarHBondContact O-N 3.49Å; A64-Q66 VanDerWaalsContact C-N 3.26Å; A64-Q66 PolarHBondContact O-N 3.29Å; Q66-L69 PolarHBondContact O-N 3.43Å; Q66-E70 PolarHBondContact O-N 3.28Å
67	L	91.3	Very high	90.9	Very high	101 Å²	101	98.1 Å²	98.1	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-63.6	-41.5	172.2	-85	165.1	0	0	0	112.3	S63 A64 L69 E70 K71	S63-L67 PolarHBondContact O-N 2.92Å; A64-L67 PolarHBondContact O-N 2.68Å; L67-L69 VanDerWaalsContact C-N 3.35Å; L67-E70 PolarHBondContact O-N 2.84Å; L67-K71 WeakPolarHBondContact O-CG 3.32Å; L67-K71 PolarHBondContact O-N 3.31Å
68	E	90.1	Very high	90.7	Very high	131 Å²	131	102 Å²	102	61%	0.612	52%	0.516	S	S	*	.	H	α-helix	trans	-63.4	-41.8	173.3	-79.3	-153	156.9	0	0	111.8	A64 I65 E70 K71 I72	A64-E68 PolarHBondContact O-N 3.4Å; I65-E68 PolarHBondContact O-N 3.32Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 2.92Å; E68-K71 PolarHBondContact O-N 3.21Å; E68-I72 WeakPolarHBondContact O-CB 3.35Å; E68-I72 WeakPolarHBondContact O-CD1 3.25Å; E68-I72 WeakPolarHBondContact O-CG1 3.47Å; E68-I72 PolarHBondContact O-N 3.41Å
69	L	90.8	Very high	90.6	Very high	83 Å²	83	101.6 Å²	101.6	44%	0.435	51%	0.509	S	S	.	.	H	α-helix	trans	-61.4	-41.7	177.2	-177	66	0	0	0	111.8	I65 Q66 L67 I72 K73	I65-L69 WeakPolarHBondContact O-CB 3.32Å; I65-L69 PolarHBondContact O-N 3.48Å; Q66-L69 PolarHBondContact O-N 3.43Å; L67-L69 VanDerWaalsContact C-N 3.35Å; L69-I72 PolarHBondContact O-N 2.79Å; L69-K73 HydrophobicContact CG-CD 4.29Å; L69-K73 WeakPolarHBondContact O-CB 3.42Å; L69-K73 VanDerWaalsContact O-CG 3.25Å; L69-K73 WeakPolarHBondContact O-CG 3.24Å; L69-K73 PolarHBondContact O-N 3.03Å
70	E	89.2	Confident	90.5	Very high	112 Å²	112	102.6 Å²	102.6	52%	0.523	51%	0.509	S	S	.	.	H	α-helix	trans	-65.9	-43.4	176.2	-78.1	176.3	-174	0	0	112.2	Q66 L67 E68 K73 S74	Q66-E70 PolarHBondContact O-N 3.28Å; L67-E70 PolarHBondContact O-N 2.84Å; E68-E70 VanDerWaalsContact C-N 3.33Å; E68-E70 PolarHBondContact O-N 2.92Å; E70-K73 PolarHBondContact O-N 3.36Å; E70-S74 PolarHBondContact O-N 2.78Å; E70-S74 PolarHBondContact O-OG 3.05Å
71	K	88.3	Confident	90.4	Very high	141 Å²	141	101.7 Å²	101.7	61%	0.613	50%	0.504	S	S	*	.	H	α-helix	trans	-61.6	-44.6	173.7	-75	179.3	-178.7	179	0	112.1	L67 E68 K73 S74 V75	L67-K71 WeakPolarHBondContact O-CG 3.32Å; L67-K71 PolarHBondContact O-N 3.31Å; E68-K71 PolarHBondContact O-N 3.21Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.32Å; K71-S74 PolarHBondContact O-N 2.91Å; K71-S74 PolarHBondContact O-OG 3.2Å; K71-V75 WeakPolarHBondContact O-CB 3.49Å; K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.34Å; K71-V75 PolarHBondContact O-N 3.48Å
72	I	88.6	Confident	90.4	Very high	75 Å²	75	101 Å²	101	39%	0.385	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-41.2	178.1	-70.3	165.6	0	0	0	110.1	E68 L69 K76	E68-I72 WeakPolarHBondContact O-CB 3.35Å; E68-I72 WeakPolarHBondContact O-CD1 3.25Å; E68-I72 WeakPolarHBondContact O-CG1 3.47Å; E68-I72 PolarHBondContact O-N 3.41Å; L69-I72 PolarHBondContact O-N 2.79Å; I72-K76 HydrophobicContact CG2-CD 3.75Å; I72-K76 HydrophobicContact CG2-CG 4.32Å; I72-K76 WeakPolarHBondContact O-CB 3.41Å; I72-K76 WeakPolarHBondContact O-CG 3.49Å; I72-K76 PolarHBondContact O-N 3.33Å
73	K	87.8	Confident	90.5	Very high	131 Å²	131	100.4 Å²	100.4	57%	0.57	50%	0.499	S	S	*	.	H	α-helix	trans	-64.7	-43.8	176.5	-79.3	176.8	178.7	-178.9	0	112.1	L69 E70 K71 S77	L69-K73 HydrophobicContact CG-CD 4.29Å; L69-K73 WeakPolarHBondContact O-CB 3.42Å; L69-K73 VanDerWaalsContact O-CG 3.25Å; L69-K73 WeakPolarHBondContact O-CG 3.24Å; L69-K73 PolarHBondContact O-N 3.03Å; E70-K73 PolarHBondContact O-N 3.36Å; K71-K73 VanDerWaalsContact C-N 3.33Å; K71-K73 PolarHBondContact O-N 3.32Å; K73-S77 VanDerWaalsContact O-CB 3.24Å; K73-S77 WeakPolarHBondContact O-CB 3.44Å; K73-S77 PolarHBondContact O-N 2.89Å
74	S	87	Confident	90.6	Very high	72 Å²	72	102 Å²	102	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-68.6	-45.3	-178.7	65.2	0	0	0	0	112.3	E70 K71 S77 Y78	E70-S74 PolarHBondContact O-N 2.78Å; E70-S74 PolarHBondContact O-OG 3.05Å; K71-S74 PolarHBondContact O-N 2.91Å; K71-S74 PolarHBondContact O-OG 3.2Å; S74-S77 PolarHBondContact O-N 2.8Å; S74-Y78 WeakPolarHBondContact O-CB 3.4Å; S74-Y78 PolarHBondContact O-N 2.9Å
75	V	87.5	Confident	90.8	Very high	83 Å²	83	105.6 Å²	105.6	50%	0.503	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-46.8	176	174.4	0	0	0	0	110.5	K71 S77 Y78 D79	K71-V75 WeakPolarHBondContact O-CB 3.49Å; K71-V75 VanDerWaalsContact O-CG2 3.3Å; K71-V75 WeakPolarHBondContact O-CG2 3.34Å; K71-V75 PolarHBondContact O-N 3.48Å; V75-S77 PolarHBondContact O-N 2.89Å; V75-Y78 PolarHBondContact O-N 2.92Å; V75-D79 WeakPolarHBondContact O-CB 3.28Å; V75-D79 PolarHBondContact O-N 3.34Å
76	K	87.9	Confident	90.9	Very high	108 Å²	108	105.7 Å²	105.7	47%	0.47	51%	0.509	S	S	.	.	H	α-helix	trans	-64	-41.3	176.9	-74.1	-178.3	178.5	178.4	0	112.2	I72 Y78 D79 Y80	I72-K76 HydrophobicContact CG2-CD 3.75Å; I72-K76 HydrophobicContact CG2-CG 4.32Å; I72-K76 WeakPolarHBondContact O-CB 3.41Å; I72-K76 WeakPolarHBondContact O-CG 3.49Å; I72-K76 PolarHBondContact O-N 3.33Å; K76-Y78 VanDerWaalsContact C-N 3.34Å; K76-Y78 PolarHBondContact O-N 2.95Å; K76-D79 PolarHBondContact O-N 3.2Å; K76-Y80 HydrophobicContact CB-CD2 4.08Å; K76-Y80 HydrophobicContact CB-CE2 3.82Å; K76-Y80 HydrophobicContact CG-CE2 4.37Å; K76-Y80 WeakPolarHBondContact O-CB 3.39Å; K76-Y80 WeakPolarHBondContact O-CD2 3.42Å; K76-Y80 VanDerWaalsContact O-CG 3.26Å; K76-Y80 PolarHBondContact O-N 2.95Å
77	S	88.8	Confident	91.1	Very high	56 Å²	56	105.4 Å²	105.4	39%	0.392	51%	0.51	S	S	.	.	H	α-helix	trans	-58.4	-48.3	176.7	-161.7	0	0	0	0	110.6	K73 S74 V75 Y80 E81	K73-S77 VanDerWaalsContact O-CB 3.24Å; K73-S77 WeakPolarHBondContact O-CB 3.44Å; K73-S77 PolarHBondContact O-N 2.89Å; S74-S77 PolarHBondContact O-N 2.8Å; V75-S77 PolarHBondContact O-N 2.89Å; S77-Y80 PolarHBondContact O-N 2.83Å; S77-E81 WeakPolarHBondContact O-CB 3.43Å; S77-E81 WeakPolarHBondContact O-CG 3.29Å; S77-E81 PolarHBondContact O-N 2.74Å; S77-E81 PolarHBondContact OG-OE1 3.45Å
78	Y	90.3	Very high	91.3	Very high	135 Å²	135	106 Å²	106	53%	0.529	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-47.1	178.4	-177.3	-101.5	0	0	0	112.6	S74 V75 K76 Y80 E81 Q82	S74-Y78 WeakPolarHBondContact O-CB 3.4Å; S74-Y78 PolarHBondContact O-N 2.9Å; V75-Y78 PolarHBondContact O-N 2.92Å; K76-Y78 VanDerWaalsContact C-N 3.34Å; K76-Y78 PolarHBondContact O-N 2.95Å; Y78-Y80 VanDerWaalsContact C-N 3.3Å; Y78-Y80 PolarHBondContact O-N 2.89Å; Y78-E81 PolarHBondContact O-N 2.92Å; Y78-Q82 HydrophobicContact CD1-CG 4.39Å; Y78-Q82 VanDerWaalsContact CE1-CD 3.43Å; Y78-Q82 HydrophobicContact CE1-CG 4.07Å; Y78-Q82 HydrophobicContact CE2-CG 4.46Å; Y78-Q82 WeakPolarHBondContact O-CG 3.44Å; Y78-Q82 PolarHBondContact O-N 2.81Å; Y78-Q82 PolarHBondContact OH-NE2 3.35Å
79	D	90.6	Very high	91.6	Very high	68 Å²	68	104.2 Å²	104.2	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-61.5	-38.8	177.1	-73.4	-11.4	0	0	0	111.8	V75 K76 K83	V75-D79 WeakPolarHBondContact O-CB 3.28Å; V75-D79 PolarHBondContact O-N 3.34Å; K76-D79 PolarHBondContact O-N 3.2Å; D79-K83 WeakPolarHBondContact O-CB 3.35Å; D79-K83 VanDerWaalsContact O-CG 3.22Å; D79-K83 WeakPolarHBondContact O-CG 3.42Å; D79-K83 PolarHBondContact O-N 3.15Å
80	Y	91.5	Very high	91.9	Very high	141 Å²	141	105 Å²	105	55%	0.553	50%	0.504	S	S	*	.	H	α-helix	trans	-71.7	-39.3	176.6	-70.4	-51.6	0	0	0	111.9	K76 S77 Y78 K83 V84	K76-Y80 HydrophobicContact CB-CD2 4.08Å; K76-Y80 HydrophobicContact CB-CE2 3.82Å; K76-Y80 HydrophobicContact CG-CE2 4.37Å; K76-Y80 WeakPolarHBondContact O-CB 3.39Å; K76-Y80 WeakPolarHBondContact O-CD2 3.42Å; K76-Y80 VanDerWaalsContact O-CG 3.26Å; K76-Y80 PolarHBondContact O-N 2.95Å; S77-Y80 PolarHBondContact O-N 2.83Å; Y78-Y80 VanDerWaalsContact C-N 3.3Å; Y78-Y80 PolarHBondContact O-N 2.89Å; Y80-K83 PolarHBondContact O-N 3.37Å; Y80-V84 WeakPolarHBondContact O-CB 3.2Å; Y80-V84 VanDerWaalsContact O-CG2 3.24Å; Y80-V84 WeakPolarHBondContact O-CG2 3.07Å; Y80-V84 PolarHBondContact O-N 3.18Å
81	E	92.1	Very high	92.2	Very high	114 Å²	114	102.7 Å²	102.7	53%	0.533	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-44.8	174.5	-76.8	164.2	-144.5	0	0	111.4	S77 Y78 V84 F85	S77-E81 WeakPolarHBondContact O-CB 3.43Å; S77-E81 WeakPolarHBondContact O-CG 3.29Å; S77-E81 PolarHBondContact O-N 2.74Å; S77-E81 PolarHBondContact OG-OE1 3.45Å; Y78-E81 PolarHBondContact O-N 2.92Å; E81-V84 PolarHBondContact O-N 3.1Å; E81-F85 WeakPolarHBondContact O-CB 3.18Å; E81-F85 PolarHBondContact O-N 2.81Å
82	Q	94	Very high	92.5	Very high	98 Å²	98	99.8 Å²	99.8	46%	0.458	49%	0.491	S	S	.	.	H	α-helix	trans	-62.7	-42.9	174.6	-73.8	-166	-20.7	0	0	112.4	Y78 V84 F85 H86	Y78-Q82 HydrophobicContact CD1-CG 4.39Å; Y78-Q82 VanDerWaalsContact CE1-CD 3.43Å; Y78-Q82 HydrophobicContact CE1-CG 4.07Å; Y78-Q82 HydrophobicContact CE2-CG 4.46Å; Y78-Q82 WeakPolarHBondContact O-CG 3.44Å; Y78-Q82 PolarHBondContact O-N 2.81Å; Y78-Q82 PolarHBondContact OH-NE2 3.35Å; Q82-V84 VanDerWaalsContact C-N 3.35Å; Q82-F85 PolarHBondContact O-N 3.08Å; Q82-H86 PolarHBondContact O-N 3.17Å
83	K	94.8	Very high	92.9	Very high	125 Å²	125	99.6 Å²	99.6	54%	0.543	49%	0.488	S	S	.	.	H	α-helix	trans	-62.7	-42.3	176	-76.3	171	-174.6	174.5	0	111.6	D79 Y80 F85 H86 L87	D79-K83 WeakPolarHBondContact O-CB 3.35Å; D79-K83 VanDerWaalsContact O-CG 3.22Å; D79-K83 WeakPolarHBondContact O-CG 3.42Å; D79-K83 PolarHBondContact O-N 3.15Å; Y80-K83 PolarHBondContact O-N 3.37Å; K83-F85 VanDerWaalsContact C-N 3.34Å; K83-H86 PolarHBondContact O-N 2.87Å; K83-L87 WeakPolarHBondContact O-CB 3.43Å; K83-L87 WeakPolarHBondContact O-CG 3.42Å; K83-L87 PolarHBondContact O-N 2.84Å
84	V	94.6	Very high	93.4	Very high	96 Å²	96	97.8 Å²	97.8	58%	0.582	48%	0.484	S	S	*	.	H	α-helix	trans	-63	-42.9	175.9	168.4	0	0	0	0	110.5	Y80 E81 Q82 L87 Q88	Y80-V84 WeakPolarHBondContact O-CB 3.2Å; Y80-V84 VanDerWaalsContact O-CG2 3.24Å; Y80-V84 WeakPolarHBondContact O-CG2 3.07Å; Y80-V84 PolarHBondContact O-N 3.18Å; E81-V84 PolarHBondContact O-N 3.1Å; Q82-V84 VanDerWaalsContact C-N 3.35Å; V84-L87 PolarHBondContact O-N 3.44Å; V84-Q88 WeakPolarHBondContact O-CB 3.12Å; V84-Q88 PolarHBondContact O-N 3.38Å
85	F	95.6	Very high	93.8	Very high	129 Å²	129	100.1 Å²	100.1	57%	0.566	49%	0.487	S	S	*	.	H	α-helix	trans	-62.6	-47.3	176.7	-177.8	-98.3	0	0	0	112.2	E81 Q82 K83 L87 Q88 E89	E81-F85 WeakPolarHBondContact O-CB 3.18Å; E81-F85 PolarHBondContact O-N 2.81Å; Q82-F85 PolarHBondContact O-N 3.08Å; K83-F85 VanDerWaalsContact C-N 3.34Å; F85-L87 PolarHBondContact O-N 3.29Å; F85-Q88 WeakPolarHBondContact O-CB 3.38Å; F85-Q88 PolarHBondContact O-N 2.92Å; F85-Q88 VanDerWaalsContact O-N 3.12Å; F85-E89 HydrophobicContact CD1-CG 4.42Å; F85-E89 HydrophobicContact CE1-CG 3.98Å; F85-E89 WeakPolarHBondContact CE1-OE1 3.48Å; F85-E89 HydrophobicContact CZ-CG 4.15Å; F85-E89 VanDerWaalsContact CZ-OE1 3.27Å; F85-E89 WeakPolarHBondContact CZ-OE1 3.4Å; F85-E89 PolarHBondContact O-N 3.39Å
86	H	95.6	Very high	94.2	Very high	117 Å²	117	103.2 Å²	103.2	54%	0.542	49%	0.49	S	S	.	.	H	α-helix	trans	-64.4	-41.5	178.7	-171.2	56.4	0	0	0	112.4	Q82 K83 Q88 E89 E90	Q82-H86 PolarHBondContact O-N 3.17Å; K83-H86 PolarHBondContact O-N 2.87Å; H86-Q88 VanDerWaalsContact C-N 3.27Å; H86-Q88 PolarHBondContact O-N 2.7Å; H86-E89 IonicContact ND1-OE2 3.63Å; H86-E89 PolarHBondContact O-N 2.79Å; H86-E90 WeakPolarHBondContact O-CB 3.29Å; H86-E90 PolarHBondContact O-N 3.41Å
87	L	96.2	Very high	94.7	Very high	97 Å²	97	102.2 Å²	102.2	51%	0.508	49%	0.487	S	S	.	.	H	α-helix	trans	-62.3	-36.8	173.3	-73.4	170.1	0	0	0	111.4	K83 V84 F85 E90 V91	K83-L87 WeakPolarHBondContact O-CB 3.43Å; K83-L87 WeakPolarHBondContact O-CG 3.42Å; K83-L87 PolarHBondContact O-N 2.84Å; V84-L87 PolarHBondContact O-N 3.44Å; F85-L87 PolarHBondContact O-N 3.29Å; L87-E90 PolarHBondContact O-N 3.34Å; L87-V91 WeakPolarHBondContact O-CB 3.44Å; L87-V91 WeakPolarHBondContact O-CG2 3.46Å; L87-V91 PolarHBondContact O-N 2.75Å
88	Q	95.8	Very high	95.1	Very high	115 Å²	115	106.5 Å²	106.5	54%	0.537	50%	0.498	S	S	.	.	H	α-helix	trans	-64.9	-43.4	175.3	-173.1	63.8	29.4	0	0	111.4	V84 F85 H86 V91 T92	V84-Q88 WeakPolarHBondContact O-CB 3.12Å; V84-Q88 PolarHBondContact O-N 3.38Å; F85-Q88 WeakPolarHBondContact O-CB 3.38Å; F85-Q88 PolarHBondContact O-N 2.92Å; F85-Q88 VanDerWaalsContact O-N 3.12Å; H86-Q88 VanDerWaalsContact C-N 3.27Å; H86-Q88 PolarHBondContact O-N 2.7Å; Q88-V91 PolarHBondContact O-N 3.28Å; Q88-T92 WeakPolarHBondContact O-CG2 3.38Å; Q88-T92 PolarHBondContact O-N 2.94Å; Q88-T92 PolarHBondContact O-OG1 3.36Å
89	E	95.9	Very high	95.4	Very high	93 Å²	93	102.1 Å²	102.1	44%	0.435	49%	0.494	S	S	.	.	H	α-helix	trans	-61.1	-48.2	174.3	-71.5	-175.6	149.7	0	0	111.6	F85 H86 V91 T92 E93	F85-E89 HydrophobicContact CD1-CG 4.42Å; F85-E89 HydrophobicContact CE1-CG 3.98Å; F85-E89 WeakPolarHBondContact CE1-OE1 3.48Å; F85-E89 HydrophobicContact CZ-CG 4.15Å; F85-E89 VanDerWaalsContact CZ-OE1 3.27Å; F85-E89 WeakPolarHBondContact CZ-OE1 3.4Å; F85-E89 PolarHBondContact O-N 3.39Å; H86-E89 IonicContact ND1-OE2 3.63Å; H86-E89 PolarHBondContact O-N 2.79Å; E89-V91 VanDerWaalsContact C-N 3.31Å; E89-V91 PolarHBondContact O-N 3.29Å; E89-T92 WeakPolarHBondContact CA-OG1 3.47Å; E89-T92 PolarHBondContact O-N 3.46Å; E89-T92 VanDerWaalsContact O-N 3.08Å; E89-T92 PolarHBondContact O-OG1 2.88Å; E89-E93 PolarHBondContact O-N 3.07Å
90	E	96.8	Very high	95.6	Very high	100 Å²	100	101.7 Å²	101.7	47%	0.467	50%	0.496	S	S	.	.	H	α-helix	trans	-58.2	-43.8	177.2	-171.9	179.4	-176.1	0	0	111.3	H86 L87 T92 E93 L94	H86-E90 WeakPolarHBondContact O-CB 3.29Å; H86-E90 PolarHBondContact O-N 3.41Å; L87-E90 PolarHBondContact O-N 3.34Å; E90-T92 PolarHBondContact O-N 3.3Å; E90-E93 PolarHBondContact O-N 3.24Å; E90-L94 HydrophobicContact CG-CD1 4.21Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 VanDerWaalsContact O-CG 3.27Å; E90-L94 WeakPolarHBondContact O-CG 3.39Å; E90-L94 PolarHBondContact O-N 2.99Å
91	V	96.3	Very high	95.9	Very high	63 Å²	63	100.2 Å²	100.2	38%	0.382	50%	0.498	S	S	.	.	H	α-helix	trans	-60.4	-44.5	174.6	168.4	0	0	0	0	111	L87 Q88 E89 L94 H95	L87-V91 WeakPolarHBondContact O-CB 3.44Å; L87-V91 WeakPolarHBondContact O-CG2 3.46Å; L87-V91 PolarHBondContact O-N 2.75Å; Q88-V91 PolarHBondContact O-N 3.28Å; E89-V91 VanDerWaalsContact C-N 3.31Å; E89-V91 PolarHBondContact O-N 3.29Å; V91-L94 PolarHBondContact O-N 2.89Å; V91-H95 WeakPolarHBondContact CG1-ND1 3.18Å; V91-H95 PolarHBondContact O-N 3.24Å; V91-H95 PolarHBondContact O-ND1 3.38Å
92	T	95.5	Very high	96.2	Very high	79 Å²	79	97.3 Å²	97.3	49%	0.485	49%	0.493	S	S	.	.	H	α-helix	trans	-65.1	-39.6	178.5	56.8	0	0	0	0	112.8	Q88 E89 E90 H95 R96	Q88-T92 WeakPolarHBondContact O-CG2 3.38Å; Q88-T92 PolarHBondContact O-N 2.94Å; Q88-T92 PolarHBondContact O-OG1 3.36Å; E89-T92 WeakPolarHBondContact CA-OG1 3.47Å; E89-T92 PolarHBondContact O-N 3.46Å; E89-T92 VanDerWaalsContact O-N 3.08Å; E89-T92 PolarHBondContact O-OG1 2.88Å; E90-T92 PolarHBondContact O-N 3.3Å; T92-H95 PolarHBondContact O-N 3.45Å; T92-R96 PolarHBondContact O-N 2.85Å
93	E	96.5	Very high	96.3	Very high	72 Å²	72	97.1 Å²	97.1	34%	0.336	49%	0.492	S	S	.	.	H	α-helix	trans	-68.1	-41.7	178.1	178.5	52.7	-153.6	0	0	111.4	E89 E90 H95 R96 Q97	E89-E93 PolarHBondContact O-N 3.07Å; E90-E93 PolarHBondContact O-N 3.24Å; E93-H95 VanDerWaalsContact C-N 3.31Å; E93-H95 PolarHBondContact O-N 3.05Å; E93-R96 WeakPolarHBondContact O-CB 3.21Å; E93-R96 PolarHBondContact O-N 3.02Å; E93-R96 IonicContact OE1-CZ 3.47Å; E93-R96 IonicContact OE1-NE 2.6Å; E93-R96 PolarHBondContact OE1-NE 2.9Å; E93-R96 IonicContact OE1-NH2 2.74Å; E93-R96 PolarHBondContact OE1-NH2 3.26Å; E93-R96 IonicContact OE2-CZ 3.82Å; E93-R96 IonicContact OE2-NE 3.88Å; E93-R96 PolarHBondContact OE2-NE 2.97Å; E93-R96 IonicContact OE2-NH2 3.37Å; E93-Q97 WeakPolarHBondContact O-CG 3.17Å; E93-Q97 PolarHBondContact O-N 2.94Å; E93-Q97 WeakPolarHBondContact OE1-CG 3.26Å; E93-Q97 PolarHBondContact OE1-NE2 3.49Å
94	L	97.5	Very high	96.4	Very high	93 Å²	93	94.8 Å²	94.8	49%	0.487	49%	0.486	S	S	.	.	H	α-helix	trans	-60.4	-39.5	172	-73.3	172.8	0	0	0	112	E90 V91 Q97 K98	E90-L94 HydrophobicContact CG-CD1 4.21Å; E90-L94 WeakPolarHBondContact O-CB 3.35Å; E90-L94 VanDerWaalsContact O-CG 3.27Å; E90-L94 WeakPolarHBondContact O-CG 3.39Å; E90-L94 PolarHBondContact O-N 2.99Å; V91-L94 PolarHBondContact O-N 2.89Å; L94-Q97 PolarHBondContact O-N 2.9Å; L94-K98 VanDerWaalsContact O-CB 3.26Å; L94-K98 WeakPolarHBondContact O-CB 3.19Å; L94-K98 PolarHBondContact O-N 3.45Å
95	H	96.2	Very high	96.6	Very high	121 Å²	121	94.1 Å²	94.1	56%	0.56	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-40.3	174.3	-79.9	86.1	0	0	0	112.2	V91 T92 E93 K98 G99	V91-H95 WeakPolarHBondContact CG1-ND1 3.18Å; V91-H95 PolarHBondContact O-N 3.24Å; V91-H95 PolarHBondContact O-ND1 3.38Å; T92-H95 PolarHBondContact O-N 3.45Å; E93-H95 VanDerWaalsContact C-N 3.31Å; E93-H95 PolarHBondContact O-N 3.05Å; H95-K98 PolarHBondContact O-N 3.18Å; H95-G99 PolarHBondContact O-N 3.31Å
96	R	96.5	Very high	96.7	Very high	148 Å²	148	92.8 Å²	92.8	56%	0.558	48%	0.479	S	S	*	.	H	α-helix	trans	-63	-46.3	175.2	-170.7	-166.5	70.4	76.8	-0.7	111.5	T92 E93 G99 S100	T92-R96 PolarHBondContact O-N 2.85Å; E93-R96 WeakPolarHBondContact O-CB 3.21Å; E93-R96 PolarHBondContact O-N 3.02Å; E93-R96 IonicContact OE1-CZ 3.47Å; E93-R96 IonicContact OE1-NE 2.6Å; E93-R96 PolarHBondContact OE1-NE 2.9Å; E93-R96 IonicContact OE1-NH2 2.74Å; E93-R96 PolarHBondContact OE1-NH2 3.26Å; E93-R96 IonicContact OE2-CZ 3.82Å; E93-R96 IonicContact OE2-NE 3.88Å; E93-R96 PolarHBondContact OE2-NE 2.97Å; E93-R96 IonicContact OE2-NH2 3.37Å; R96-G99 PolarHBondContact O-N 2.83Å; R96-S100 PolarHBondContact O-N 2.77Å
97	Q	97.1	Very high	96.8	Very high	86 Å²	86	90.5 Å²	90.5	40%	0.402	47%	0.471	S	S	.	.	H	α-helix	trans	-62.8	-43.1	176.9	-70.6	178.3	13.7	0	0	111.6	E93 L94 G99 S100 L101	E93-Q97 WeakPolarHBondContact O-CG 3.17Å; E93-Q97 PolarHBondContact O-N 2.94Å; E93-Q97 WeakPolarHBondContact OE1-CG 3.26Å; E93-Q97 PolarHBondContact OE1-NE2 3.49Å; L94-Q97 PolarHBondContact O-N 2.9Å; Q97-G99 VanDerWaalsContact C-N 3.31Å; Q97-G99 PolarHBondContact O-N 3.37Å; Q97-S100 PolarHBondContact O-N 3.18Å; Q97-L101 WeakPolarHBondContact O-CB 3.36Å; Q97-L101 WeakPolarHBondContact O-CG 3.13Å; Q97-L101 PolarHBondContact O-N 3.25Å
98	K	97.1	Very high	96.9	Very high	147 Å²	147	91.6 Å²	91.6	64%	0.639	48%	0.477	S	S	*	.	H	α-helix	trans	-57.7	-43.2	173.7	-178.8	-178.6	176.3	-177.9	0	111.8	L94 H95 L101 A102	L94-K98 VanDerWaalsContact O-CB 3.26Å; L94-K98 WeakPolarHBondContact O-CB 3.19Å; L94-K98 PolarHBondContact O-N 3.45Å; H95-K98 PolarHBondContact O-N 3.18Å; K98-L101 PolarHBondContact O-N 3.05Å; K98-A102 WeakPolarHBondContact O-CB 3.11Å; K98-A102 PolarHBondContact O-N 3.03Å
99	G	96.4	Very high	96.9	Very high	43 Å²	43	90.1 Å²	90.1	44%	0.443	47%	0.473	S	S	.	.	H	α-helix	trans	-62.3	-45.3	175.9	0	0	0	0	0	112.9	H95 R96 Q97 A102 Q103	H95-G99 PolarHBondContact O-N 3.31Å; R96-G99 PolarHBondContact O-N 2.83Å; Q97-G99 VanDerWaalsContact C-N 3.31Å; Q97-G99 PolarHBondContact O-N 3.37Å; G99-A102 PolarHBondContact O-N 3.01Å; G99-Q103 PolarHBondContact O-N 3.32Å
100	S	96.6	Very high	97	Very high	58 Å²	58	93.6 Å²	93.6	41%	0.406	48%	0.481	S	S	.	.	H	α-helix	trans	-61.8	-45.5	176.1	-179.6	0	0	0	0	112.4	R96 Q97 A102 Q103 N104	R96-S100 PolarHBondContact O-N 2.77Å; Q97-S100 PolarHBondContact O-N 3.18Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 PolarHBondContact O-N 3.09Å; S100-Q103 PolarHBondContact O-N 3.41Å; S100-N104 VanDerWaalsContact O-CG 3.3Å; S100-N104 PolarHBondContact O-N 3.13Å; S100-N104 PolarHBondContact O-ND2 3.26Å
101	L	97.3	Very high	97.1	Very high	111 Å²	111	92.2 Å²	92.2	58%	0.581	48%	0.48	S	S	*	.	H	α-helix	trans	-63.5	-39.9	176.6	-71.9	172.3	0	0	0	112.1	Q97 K98 Q103 N104 V105	Q97-L101 WeakPolarHBondContact O-CB 3.36Å; Q97-L101 WeakPolarHBondContact O-CG 3.13Å; Q97-L101 PolarHBondContact O-N 3.25Å; K98-L101 PolarHBondContact O-N 3.05Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.35Å; L101-N104 PolarHBondContact O-N 2.67Å; L101-V105 VanDerWaalsContact O-CG2 3.31Å; L101-V105 WeakPolarHBondContact O-CG2 3.49Å; L101-V105 PolarHBondContact O-N 3.12Å
102	A	97.3	Very high	97.2	Very high	52 Å²	52	93.7 Å²	93.7	43%	0.43	49%	0.485	S	S	.	.	H	α-helix	trans	-61.5	-42.3	175.3	0	0	0	0	0	111.6	K98 G99 S100 V105 I106	K98-A102 WeakPolarHBondContact O-CB 3.11Å; K98-A102 PolarHBondContact O-N 3.03Å; G99-A102 PolarHBondContact O-N 3.01Å; S100-A102 VanDerWaalsContact C-N 3.35Å; S100-A102 PolarHBondContact O-N 3.09Å; A102-V105 PolarHBondContact O-N 2.92Å; A102-I106 WeakPolarHBondContact O-CG1 3.28Å; A102-I106 PolarHBondContact O-N 2.86Å; A102-I106 VanDerWaalsContact O-N 3.11Å
103	Q	96.5	Very high	97.3	Very high	94 Å²	94	96.2 Å²	96.2	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-63.5	-45.8	175.4	-174.8	56.9	46.7	0	0	111.7	G99 S100 L101 V105 I106 D107	G99-Q103 PolarHBondContact O-N 3.32Å; S100-Q103 PolarHBondContact O-N 3.41Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.35Å; Q103-V105 VanDerWaalsContact C-N 3.27Å; Q103-V105 PolarHBondContact O-N 2.85Å; Q103-I106 WeakPolarHBondContact O-CB 3.43Å; Q103-I106 PolarHBondContact O-N 2.8Å; Q103-D107 VanDerWaalsContact NE2-CG 3.32Å; Q103-D107 PolarHBondContact NE2-OD1 2.8Å; Q103-D107 PolarHBondContact NE2-OD2 3.32Å; Q103-D107 PolarHBondContact O-N 2.76Å
104	N	97.9	Very high	97.3	Very high	77 Å²	77	98.1 Å²	98.1	41%	0.412	50%	0.5	S	S	.	.	H	α-helix	trans	-58.5	-38.9	176.4	-69	-20.5	0	0	0	112.2	S100 L101 D107 L108	S100-N104 VanDerWaalsContact O-CG 3.3Å; S100-N104 PolarHBondContact O-N 3.13Å; S100-N104 PolarHBondContact O-ND2 3.26Å; L101-N104 PolarHBondContact O-N 2.67Å; N104-D107 PolarHBondContact O-N 2.8Å; N104-L108 VanDerWaalsContact O-CB 3.25Å; N104-L108 WeakPolarHBondContact O-CB 2.96Å; N104-L108 WeakPolarHBondContact O-CD1 3.37Å; N104-L108 VanDerWaalsContact O-CG 3.23Å; N104-L108 WeakPolarHBondContact O-CG 3.1Å; N104-L108 PolarHBondContact O-N 3.03Å
105	V	97.9	Very high	97.4	Very high	81 Å²	81	99.3 Å²	99.3	49%	0.491	50%	0.502	S	S	.	.	H	α-helix	trans	-64.4	-40.8	175.8	168.9	0	0	0	0	111.3	L101 A102 Q103 N109	L101-V105 VanDerWaalsContact O-CG2 3.31Å; L101-V105 WeakPolarHBondContact O-CG2 3.49Å; L101-V105 PolarHBondContact O-N 3.12Å; A102-V105 PolarHBondContact O-N 2.92Å; Q103-V105 VanDerWaalsContact C-N 3.27Å; Q103-V105 PolarHBondContact O-N 2.85Å; V105-N109 WeakPolarHBondContact O-CB 3.42Å; V105-N109 VanDerWaalsContact O-CG 3.29Å; V105-N109 PolarHBondContact O-N 3.33Å; V105-N109 PolarHBondContact O-ND2 2.88Å
106	I	97.4	Very high	97.4	Very high	102 Å²	102	97 Å²	97	52%	0.523	49%	0.493	S	S	.	.	H	α-helix	trans	-63.4	-47.5	176.2	-66.6	164.7	0	0	0	110.4	A102 Q103 N109 R110	A102-I106 WeakPolarHBondContact O-CG1 3.28Å; A102-I106 PolarHBondContact O-N 2.86Å; A102-I106 VanDerWaalsContact O-N 3.11Å; Q103-I106 WeakPolarHBondContact O-CB 3.43Å; Q103-I106 PolarHBondContact O-N 2.8Å; I106-N109 PolarHBondContact O-N 2.84Å; I106-R110 PolarHBondContact O-N 3.28Å
107	D	97.6	Very high	97.5	Very high	69 Å²	69	94.1 Å²	94.1	37%	0.369	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-41.2	-178.8	-66.5	-31	0	0	0	111.7	Q103 N104 R110 V111	Q103-D107 VanDerWaalsContact NE2-CG 3.32Å; Q103-D107 PolarHBondContact NE2-OD1 2.8Å; Q103-D107 PolarHBondContact NE2-OD2 3.32Å; Q103-D107 PolarHBondContact O-N 2.76Å; N104-D107 PolarHBondContact O-N 2.8Å; D107-R110 WeakPolarHBondContact O-CB 3.48Å; D107-R110 PolarHBondContact O-N 2.84Å; D107-V111 WeakPolarHBondContact O-CG2 3.46Å; D107-V111 PolarHBondContact O-N 3.28Å
108	L	98.2	Very high	97.5	Very high	120 Å²	120	93.9 Å²	93.9	63%	0.628	49%	0.493	S	S	*	.	H	α-helix	trans	-63	-42.1	174.1	-78.1	165.3	0	0	0	112.1	N104 R110 V111 L112	N104-L108 VanDerWaalsContact O-CB 3.25Å; N104-L108 WeakPolarHBondContact O-CB 2.96Å; N104-L108 WeakPolarHBondContact O-CD1 3.37Å; N104-L108 VanDerWaalsContact O-CG 3.23Å; N104-L108 WeakPolarHBondContact O-CG 3.1Å; N104-L108 PolarHBondContact O-N 3.03Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 2.89Å; L108-V111 PolarHBondContact O-N 2.94Å; L108-L112 WeakPolarHBondContact O-CB 3.14Å; L108-L112 PolarHBondContact O-N 3.26Å
109	N	97.6	Very high	97.6	Very high	84 Å²	84	91.8 Å²	91.8	45%	0.449	49%	0.489	S	S	.	.	H	α-helix	trans	-63.4	-37.4	175.8	-81.3	-27.3	0	0	0	112	V105 I106 L112 Q113	V105-N109 WeakPolarHBondContact O-CB 3.42Å; V105-N109 VanDerWaalsContact O-CG 3.29Å; V105-N109 PolarHBondContact O-N 3.33Å; V105-N109 PolarHBondContact O-ND2 2.88Å; I106-N109 PolarHBondContact O-N 2.84Å; N109-L112 WeakPolarHBondContact O-CB 3.29Å; N109-L112 PolarHBondContact O-N 3.29Å; N109-Q113 WeakPolarHBondContact O-CG 3.37Å; N109-Q113 PolarHBondContact O-N 3.06Å
110	R	97.5	Very high	97.6	Very high	165 Å²	165	96 Å²	96	62%	0.623	50%	0.497	S	S	*	.	H	α-helix	trans	-62.9	-48.3	175.2	-171.5	-176.7	-163.2	153.6	7.3	111.5	I106 D107 L108 L112 Q113 E114	I106-R110 PolarHBondContact O-N 3.28Å; D107-R110 WeakPolarHBondContact O-CB 3.48Å; D107-R110 PolarHBondContact O-N 2.84Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 2.89Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.44Å; R110-Q113 PolarHBondContact O-N 2.86Å; R110-E114 PolarHBondContact O-N 3.21Å; R110-E114 VanDerWaalsContact O-N 3.1Å
111	V	98	Very high	97.7	Very high	71 Å²	71	96.7 Å²	96.7	43%	0.43	50%	0.502	S	S	.	.	H	α-helix	trans	-62.7	-39.1	177.2	174.4	0	0	0	0	110.9	D107 L108 E114 K115	D107-V111 WeakPolarHBondContact O-CG2 3.46Å; D107-V111 PolarHBondContact O-N 3.28Å; L108-V111 PolarHBondContact O-N 2.94Å; V111-E114 PolarHBondContact O-N 3.17Å; V111-K115 HydrophobicContact CG1-CG 4.39Å; V111-K115 WeakPolarHBondContact O-CG 3.48Å; V111-K115 PolarHBondContact O-N 3.36Å
112	L	97.9	Very high	97.7	Very high	95 Å²	95	97 Å²	97	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-58.9	-48.5	176.2	-172.7	72.7	0	0	0	111.2	L108 N109 R110 E114 K115 D116	L108-L112 WeakPolarHBondContact O-CB 3.14Å; L108-L112 PolarHBondContact O-N 3.26Å; N109-L112 WeakPolarHBondContact O-CB 3.29Å; N109-L112 PolarHBondContact O-N 3.29Å; R110-L112 VanDerWaalsContact C-N 3.29Å; R110-L112 PolarHBondContact O-N 3.44Å; L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 2.5Å; L112-K115 PolarHBondContact O-N 3.06Å; L112-K115 VanDerWaalsContact O-N 3.12Å; L112-D116 VanDerWaalsContact O-CG 3.3Å; L112-D116 PolarHBondContact O-N 3.5Å
113	Q	97.8	Very high	97.8	Very high	132 Å²	132	98 Å²	98	62%	0.617	50%	0.502	S	S	*	.	H	α-helix	trans	-59.2	-42.7	177	-71.6	174.3	-2.6	0	0	112.3	N109 R110 K115 D116 T117	N109-Q113 WeakPolarHBondContact O-CG 3.37Å; N109-Q113 PolarHBondContact O-N 3.06Å; R110-Q113 PolarHBondContact O-N 2.86Å; Q113-K115 VanDerWaalsContact C-N 3.34Å; Q113-K115 PolarHBondContact O-N 3Å; Q113-D116 PolarHBondContact O-N 3.36Å; Q113-T117 VanDerWaalsContact O-CG2 3.28Å; Q113-T117 WeakPolarHBondContact O-CG2 3.38Å; Q113-T117 PolarHBondContact O-N 3.05Å
114	E	97.7	Very high	97.8	Very high	111 Å²	111	99 Å²	99	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-61.7	-42.1	175.6	-71.1	174.5	-171.6	0	0	111.6	R110 V111 L112 T117 L118	R110-E114 PolarHBondContact O-N 3.21Å; R110-E114 VanDerWaalsContact O-N 3.1Å; V111-E114 PolarHBondContact O-N 3.17Å; L112-E114 VanDerWaalsContact C-N 3.34Å; L112-E114 PolarHBondContact O-N 2.5Å; E114-T117 PolarHBondContact O-N 2.84Å; E114-T117 PolarHBondContact O-OG1 3.44Å; E114-L118 PolarHBondContact O-N 3.43Å; E114-L118 VanDerWaalsContact O-N 3.1Å
115	K	98	Very high	97.8	Very high	119 Å²	119	100.4 Å²	100.4	52%	0.517	51%	0.512	S	S	.	.	H	α-helix	trans	-66.9	-38.8	176.1	-65.6	-59.4	-179.8	-173.4	0	112.2	V111 L112 Q113 L118 L119	V111-K115 HydrophobicContact CG1-CG 4.39Å; V111-K115 WeakPolarHBondContact O-CG 3.48Å; V111-K115 PolarHBondContact O-N 3.36Å; L112-K115 PolarHBondContact O-N 3.06Å; L112-K115 VanDerWaalsContact O-N 3.12Å; Q113-K115 VanDerWaalsContact C-N 3.34Å; Q113-K115 PolarHBondContact O-N 3Å; K115-L118 PolarHBondContact O-N 3.27Å; K115-L119 WeakPolarHBondContact O-CB 3.49Å; K115-L119 VanDerWaalsContact O-CG 3.31Å; K115-L119 WeakPolarHBondContact O-CG 3.46Å; K115-L119 PolarHBondContact O-N 3.31Å
116	D	98.2	Very high	97.9	Very high	71 Å²	71	100.9 Å²	100.9	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-63.2	-43.7	177.1	-71.2	-26.2	0	0	0	111.4	L112 Q113 L118 L119 Q120	L112-D116 VanDerWaalsContact O-CG 3.3Å; L112-D116 PolarHBondContact O-N 3.5Å; Q113-D116 PolarHBondContact O-N 3.36Å; D116-L118 PolarHBondContact O-N 2.85Å; D116-L119 PolarHBondContact O-N 3.28Å; D116-Q120 WeakPolarHBondContact O-CG 3.42Å; D116-Q120 PolarHBondContact O-N 2.94Å
117	T	97.4	Very high	97.9	Very high	88 Å²	88	98.8 Å²	98.8	54%	0.54	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-40	175.8	65.2	0	0	0	0	112.4	Q113 E114 Q120 S121	Q113-T117 VanDerWaalsContact O-CG2 3.28Å; Q113-T117 WeakPolarHBondContact O-CG2 3.38Å; Q113-T117 PolarHBondContact O-N 3.05Å; E114-T117 PolarHBondContact O-N 2.84Å; E114-T117 PolarHBondContact O-OG1 3.44Å; T117-Q120 PolarHBondContact O-N 3.17Å; T117-S121 PolarHBondContact O-N 3.03Å
118	L	97.9	Very high	97.9	Very high	81 Å²	81	100.6 Å²	100.6	42%	0.424	51%	0.512	S	S	.	.	H	α-helix	trans	-67.2	-39	176.2	-177.7	62.5	0	0	0	111.9	E114 K115 D116 S121 K122	E114-L118 PolarHBondContact O-N 3.43Å; E114-L118 VanDerWaalsContact O-N 3.1Å; K115-L118 PolarHBondContact O-N 3.27Å; D116-L118 PolarHBondContact O-N 2.85Å; L118-S121 PolarHBondContact O-N 3.28Å; L118-K122 HydrophobicContact CG-CD 4.44Å; L118-K122 WeakPolarHBondContact O-CG 3.46Å; L118-K122 PolarHBondContact O-N 3.18Å
119	L	98	Very high	97.9	Very high	104 Å²	104	99.8 Å²	99.8	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-62.6	-46.5	175.2	-78.5	170.7	0	0	0	110.8	K115 D116 S121 K122 S123	K115-L119 WeakPolarHBondContact O-CB 3.49Å; K115-L119 VanDerWaalsContact O-CG 3.31Å; K115-L119 WeakPolarHBondContact O-CG 3.46Å; K115-L119 PolarHBondContact O-N 3.31Å; D116-L119 PolarHBondContact O-N 3.28Å; L119-S121 PolarHBondContact O-N 3.25Å; L119-K122 PolarHBondContact O-N 2.92Å; L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 2.93Å; L119-S123 PolarHBondContact O-OG 3.19Å; L119-S123 VanDerWaalsContact O-OG 3.1Å
120	Q	97.7	Very high	97.9	Very high	130 Å²	130	100.5 Å²	100.5	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-57.7	-46.3	175.5	-71.7	173.8	5.7	0	0	112	D116 T117 K122 S123 L124	D116-Q120 WeakPolarHBondContact O-CG 3.42Å; D116-Q120 PolarHBondContact O-N 2.94Å; T117-Q120 PolarHBondContact O-N 3.17Å; Q120-K122 PolarHBondContact O-N 2.94Å; Q120-S123 PolarHBondContact O-N 2.97Å; Q120-L124 WeakPolarHBondContact O-CG 3.15Å; Q120-L124 PolarHBondContact O-N 3.05Å
121	S	97.9	Very high	97.9	Very high	73 Å²	73	97 Å²	97	51%	0.51	50%	0.502	S	S	.	.	H	α-helix	trans	-60	-43.5	176.8	175.7	0	0	0	0	112.3	T117 L118 L119 L124 K125	T117-S121 PolarHBondContact O-N 3.03Å; L118-S121 PolarHBondContact O-N 3.28Å; L119-S121 PolarHBondContact O-N 3.25Å; S121-L124 PolarHBondContact O-N 3.24Å; S121-K125 PolarHBondContact O-N 3.39Å
122	K	98.1	Very high	97.9	Very high	117 Å²	117	96.7 Å²	96.7	51%	0.509	50%	0.502	S	S	.	.	H	α-helix	trans	-67.6	-39.9	176.7	-73.2	-178	177.9	-171.9	0	112.4	L118 L119 Q120 K125 I126	L118-K122 HydrophobicContact CG-CD 4.44Å; L118-K122 WeakPolarHBondContact O-CG 3.46Å; L118-K122 PolarHBondContact O-N 3.18Å; L119-K122 PolarHBondContact O-N 2.92Å; Q120-K122 PolarHBondContact O-N 2.94Å; K122-K125 PolarHBondContact O-N 3.23Å; K122-I126 VanDerWaalsContact O-CG1 3.29Å; K122-I126 WeakPolarHBondContact O-CG1 3.4Å; K122-I126 PolarHBondContact O-N 3.26Å
123	S	98.1	Very high	97.9	Very high	73 Å²	73	96.9 Å²	96.9	51%	0.51	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-42.5	176.2	-68.1	0	0	0	0	111.8	L119 Q120 I126 S127	L119-S123 WeakPolarHBondContact O-CB 3.24Å; L119-S123 PolarHBondContact O-N 2.93Å; L119-S123 PolarHBondContact O-OG 3.19Å; L119-S123 VanDerWaalsContact O-OG 3.1Å; Q120-S123 PolarHBondContact O-N 2.97Å; S123-I126 PolarHBondContact O-N 2.7Å; S123-S127 PolarHBondContact O-N 2.85Å; S123-S127 VanDerWaalsContact O-N 3.07Å
124	L	97.7	Very high	97.9	Very high	117 Å²	117	96.5 Å²	96.5	61%	0.613	50%	0.499	S	S	*	.	H	α-helix	trans	-61.1	-44.8	172.6	-71.2	172.1	0	0	0	111.2	Q120 S121 I126 S127 E128	Q120-L124 WeakPolarHBondContact O-CG 3.15Å; Q120-L124 PolarHBondContact O-N 3.05Å; S121-L124 PolarHBondContact O-N 3.24Å; L124-I126 VanDerWaalsContact C-N 3.33Å; L124-I126 PolarHBondContact O-N 3.2Å; L124-S127 WeakPolarHBondContact O-CB 3.24Å; L124-S127 PolarHBondContact O-N 3.27Å; L124-E128 PolarHBondContact O-N 2.87Å
125	K	98.1	Very high	97.9	Very high	106 Å²	106	94 Å²	94	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-65.7	-36.5	-179.4	-169.7	55.3	180	177.4	0	113.1	S121 K122 E128 L129	S121-K125 PolarHBondContact O-N 3.39Å; K122-K125 PolarHBondContact O-N 3.23Å; K125-E128 VanDerWaalsContact CD-OE2 3.27Å; K125-E128 WeakPolarHBondContact CD-OE2 3.36Å; K125-E128 IonicContact NZ-OE2 3.68Å; K125-E128 PolarHBondContact NZ-OE2 2.74Å; K125-E128 PolarHBondContact O-N 2.59Å; K125-L129 HydrophobicContact CG-CD1 4.33Å; K125-L129 VanDerWaalsContact O-CG 3.3Å; K125-L129 WeakPolarHBondContact O-CG 3.25Å; K125-L129 PolarHBondContact O-N 2.87Å; K125-L129 VanDerWaalsContact O-N 3.08Å
126	I	98.3	Very high	97.9	Very high	91 Å²	91	91.9 Å²	91.9	47%	0.467	49%	0.492	S	S	.	.	H	α-helix	trans	-62.8	-45.9	174.1	-71.7	165	0	0	0	109.9	K122 S123 L124 E128 L129 E130	K122-I126 VanDerWaalsContact O-CG1 3.29Å; K122-I126 WeakPolarHBondContact O-CG1 3.4Å; K122-I126 PolarHBondContact O-N 3.26Å; S123-I126 PolarHBondContact O-N 2.7Å; L124-I126 VanDerWaalsContact C-N 3.33Å; L124-I126 PolarHBondContact O-N 3.2Å; I126-E128 PolarHBondContact O-N 3.19Å; I126-L129 PolarHBondContact O-N 3.49Å; I126-L129 VanDerWaalsContact O-N 3.15Å; I126-E130 HydrophobicContact CG2-CG 4.34Å; I126-E130 WeakPolarHBondContact CG2-OE1 3.49Å; I126-E130 WeakPolarHBondContact O-CG 3.47Å; I126-E130 PolarHBondContact O-N 3Å
127	S	97.9	Very high	97.9	Very high	57 Å²	57	94 Å²	94	40%	0.399	50%	0.5	S	S	.	.	H	α-helix	trans	-57.9	-45.8	176.3	-169.6	0	0	0	0	112.3	S123 L124 L129 E130 D131	S123-S127 PolarHBondContact O-N 2.85Å; S123-S127 VanDerWaalsContact O-N 3.07Å; L124-S127 WeakPolarHBondContact O-CB 3.24Å; L124-S127 PolarHBondContact O-N 3.27Å; S127-L129 VanDerWaalsContact C-N 3.31Å; S127-L129 PolarHBondContact O-N 3.27Å; S127-E130 PolarHBondContact O-N 2.83Å; S127-D131 PolarHBondContact O-N 3.42Å
128	E	97.9	Very high	97.9	Very high	108 Å²	108	92.8 Å²	92.8	51%	0.505	50%	0.499	S	S	.	.	H	α-helix	trans	-60	-40.8	176.3	-71.1	176.3	-175.5	0	0	112.5	L124 K125 I126 C132	L124-E128 PolarHBondContact O-N 2.87Å; K125-E128 VanDerWaalsContact CD-OE2 3.27Å; K125-E128 WeakPolarHBondContact CD-OE2 3.36Å; K125-E128 IonicContact NZ-OE2 3.68Å; K125-E128 PolarHBondContact NZ-OE2 2.74Å; K125-E128 PolarHBondContact O-N 2.59Å; I126-E128 PolarHBondContact O-N 3.19Å; E128-C132 WeakPolarHBondContact O-CB 3.38Å; E128-C132 PolarHBondContact O-N 2.85Å
129	L	97.9	Very high	97.9	Very high	102 Å²	102	94.3 Å²	94.3	53%	0.534	50%	0.504	S	S	.	.	H	α-helix	trans	-70.7	-36.7	179.4	-72.6	172.6	0	0	0	111.8	K125 I126 S127 C132 L133	K125-L129 HydrophobicContact CG-CD1 4.33Å; K125-L129 VanDerWaalsContact O-CG 3.3Å; K125-L129 WeakPolarHBondContact O-CG 3.25Å; K125-L129 PolarHBondContact O-N 2.87Å; K125-L129 VanDerWaalsContact O-N 3.08Å; I126-L129 PolarHBondContact O-N 3.49Å; I126-L129 VanDerWaalsContact O-N 3.15Å; S127-L129 VanDerWaalsContact C-N 3.31Å; S127-L129 PolarHBondContact O-N 3.27Å; L129-C132 PolarHBondContact O-N 3.48Å; L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 PolarHBondContact O-N 2.83Å
130	E	98.3	Very high	97.8	Very high	100 Å²	100	94 Å²	94	47%	0.467	50%	0.503	S	S	.	.	H	α-helix	trans	-64.7	-41.6	174.1	-74.1	177.4	178.4	0	0	111.8	I126 S127 L133 K134	I126-E130 HydrophobicContact CG2-CG 4.34Å; I126-E130 WeakPolarHBondContact CG2-OE1 3.49Å; I126-E130 WeakPolarHBondContact O-CG 3.47Å; I126-E130 PolarHBondContact O-N 3Å; S127-E130 PolarHBondContact O-N 2.83Å; E130-L133 PolarHBondContact O-N 3.46Å; E130-K134 WeakPolarHBondContact O-CG 3.39Å; E130-K134 PolarHBondContact O-N 3.22Å
131	D	98	Very high	97.8	Very high	90 Å²	90	92.7 Å²	92.7	48%	0.481	50%	0.496	S	S	.	.	H	α-helix	trans	-67.2	-41.8	176.5	-70.8	-23.3	0	0	0	111.6	S127 L133 K134 A135	S127-D131 PolarHBondContact O-N 3.42Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact O-N 3.19Å; D131-K134 PolarHBondContact O-N 3.46Å; D131-K134 IonicContact OD1-NZ 3.09Å; D131-A135 PolarHBondContact O-N 2.92Å
132	C	98	Very high	97.8	Very high	65 Å²	65	95 Å²	95	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-61.5	-40.5	173	-173.9	0	0	0	0	111.8	E128 L129 A135 N136	E128-C132 WeakPolarHBondContact O-CB 3.38Å; E128-C132 PolarHBondContact O-N 2.85Å; L129-C132 PolarHBondContact O-N 3.48Å; C132-A135 PolarHBondContact O-N 3.49Å; C132-N136 WeakPolarHBondContact O-CB 3.2Å; C132-N136 VanDerWaalsContact O-CG 3.28Å; C132-N136 PolarHBondContact O-N 3.32Å; C132-N136 PolarHBondContact O-ND2 3.22Å; C132-N136 VanDerWaalsContact O-ND2 3.14Å
133	L	97.6	Very high	97.8	Very high	100 Å²	100	93.6 Å²	93.6	52%	0.524	50%	0.496	S	S	.	.	H	α-helix	trans	-63.1	-45.3	176.4	-178.3	65.3	0	0	0	111.5	L129 E130 D131 N136 Q137	L129-L133 VanDerWaalsContact O-CB 3.31Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 PolarHBondContact O-N 2.83Å; E130-L133 PolarHBondContact O-N 3.46Å; D131-L133 VanDerWaalsContact C-N 3.32Å; D131-L133 PolarHBondContact O-N 3.19Å; L133-N136 PolarHBondContact O-N 3.09Å; L133-Q137 WeakPolarHBondContact O-CB 3.22Å; L133-Q137 VanDerWaalsContact O-CG 3.3Å; L133-Q137 WeakPolarHBondContact O-CG 3.2Å; L133-Q137 PolarHBondContact O-N 3.2Å
134	K	97.9	Very high	97.8	Very high	123 Å²	123	96 Å²	96	54%	0.535	50%	0.501	S	S	.	.	H	α-helix	trans	-61.5	-43	176.2	-72.5	170.8	-171.7	161.5	0	111.8	E130 D131 Q137 A138	E130-K134 WeakPolarHBondContact O-CG 3.39Å; E130-K134 PolarHBondContact O-N 3.22Å; D131-K134 PolarHBondContact O-N 3.46Å; D131-K134 IonicContact OD1-NZ 3.09Å; K134-Q137 PolarHBondContact O-N 2.9Å; K134-A138 PolarHBondContact O-N 3.05Å
135	A	97.7	Very high	97.8	Very high	59 Å²	59	94.9 Å²	94.9	49%	0.488	49%	0.493	S	S	.	.	H	α-helix	trans	-61.5	-45.2	176.4	0	0	0	0	0	111.7	D131 C132 Q137 A138 Q139	D131-A135 PolarHBondContact O-N 2.92Å; C132-A135 PolarHBondContact O-N 3.49Å; A135-Q137 VanDerWaalsContact C-N 3.34Å; A135-Q137 PolarHBondContact O-N 3.49Å; A135-A138 PolarHBondContact O-N 3.5Å; A135-Q139 PolarHBondContact O-N 3.08Å
136	N	97.3	Very high	97.8	Very high	74 Å²	74	95.7 Å²	95.7	40%	0.396	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-35.5	176.5	-72.6	-32.2	0	0	0	112.5	C132 L133 Q139 N140	C132-N136 WeakPolarHBondContact O-CB 3.2Å; C132-N136 VanDerWaalsContact O-CG 3.28Å; C132-N136 PolarHBondContact O-N 3.32Å; C132-N136 PolarHBondContact O-ND2 3.22Å; C132-N136 VanDerWaalsContact O-ND2 3.14Å; L133-N136 PolarHBondContact O-N 3.09Å; N136-Q139 PolarHBondContact O-N 2.8Å; N136-N140 WeakPolarHBondContact O-CB 3.23Å; N136-N140 PolarHBondContact O-N 2.85Å; N136-N140 PolarHBondContact O-ND2 2.74Å
137	Q	97.9	Very high	97.7	Very high	115 Å²	115	95 Å²	95	54%	0.537	49%	0.493	S	S	.	.	H	α-helix	trans	-65.4	-43.2	174.1	-76.2	174	-10.5	0	0	111.8	L133 K134 A135 N140 H141	L133-Q137 WeakPolarHBondContact O-CB 3.22Å; L133-Q137 VanDerWaalsContact O-CG 3.3Å; L133-Q137 WeakPolarHBondContact O-CG 3.2Å; L133-Q137 PolarHBondContact O-N 3.2Å; K134-Q137 PolarHBondContact O-N 2.9Å; A135-Q137 VanDerWaalsContact C-N 3.34Å; A135-Q137 PolarHBondContact O-N 3.49Å; Q137-N140 PolarHBondContact O-N 3.18Å; Q137-H141 PolarHBondContact O-N 2.73Å
138	A	97.5	Very high	97.7	Very high	63 Å²	63	98.2 Å²	98.2	52%	0.521	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-41.9	175.3	0	0	0	0	0	111.8	K134 A135 H141 H142	K134-A138 PolarHBondContact O-N 3.05Å; A135-A138 PolarHBondContact O-N 3.5Å; A138-H141 PolarHBondContact O-N 2.92Å; A138-H142 PolarHBondContact O-N 2.98Å
139	Q	97.7	Very high	97.7	Very high	114 Å²	114	97.6 Å²	97.6	53%	0.533	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-43.2	175.6	-173.6	177.9	0.5	0	0	112	A135 N136 H141 H142 L143	A135-Q139 PolarHBondContact O-N 3.08Å; N136-Q139 PolarHBondContact O-N 2.8Å; Q139-H141 VanDerWaalsContact C-N 3.32Å; Q139-H141 PolarHBondContact O-N 3.35Å; Q139-H142 PolarHBondContact O-N 2.86Å; Q139-L143 HydrophobicContact CG-CD1 4.32Å; Q139-L143 WeakPolarHBondContact O-CG 3.48Å; Q139-L143 PolarHBondContact O-N 2.87Å
140	N	96.8	Very high	97.6	Very high	98 Å²	98	96.9 Å²	96.9	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-61.6	-40.5	175.1	-81.9	-49.8	0	0	0	111.8	N136 Q137 L143 M144	N136-N140 WeakPolarHBondContact O-CB 3.23Å; N136-N140 PolarHBondContact O-N 2.85Å; N136-N140 PolarHBondContact O-ND2 2.74Å; Q137-N140 PolarHBondContact O-N 3.18Å; N140-L143 PolarHBondContact O-N 2.85Å; N140-M144 WeakPolarHBondContact O-CG 3.18Å; N140-M144 PolarHBondContact O-N 2.89Å
141	H	97.5	Very high	97.6	Very high	102 Å²	102	98 Å²	98	47%	0.472	50%	0.498	S	S	.	.	H	α-helix	trans	-60	-47.4	175.5	-170.5	65.7	0	0	0	112	Q137 A138 Q139 L143 M144 E145	Q137-H141 PolarHBondContact O-N 2.73Å; A138-H141 PolarHBondContact O-N 2.92Å; Q139-H141 VanDerWaalsContact C-N 3.32Å; Q139-H141 PolarHBondContact O-N 3.35Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 PolarHBondContact O-N 2.93Å; H141-M144 PolarHBondContact O-N 2.92Å; H141-M144 VanDerWaalsContact O-N 3.17Å; H141-E145 IonicContact CD2-OE1 3.81Å; H141-E145 IonicContact NE2-OE1 3.93Å; H141-E145 PolarHBondContact NE2-OE1 3.39Å; H141-E145 PolarHBondContact O-N 3.26Å
142	H	97.5	Very high	97.6	Very high	121 Å²	121	98.9 Å²	98.9	56%	0.56	50%	0.499	S	S	*	.	H	α-helix	trans	-60.9	-40	176.3	-176.5	53.6	0	0	0	112.7	A138 Q139 E145 R146	A138-H142 PolarHBondContact O-N 2.98Å; Q139-H142 PolarHBondContact O-N 2.86Å; H142-E145 PolarHBondContact O-N 2.8Å; H142-R146 WeakPolarHBondContact O-CB 3.45Å; H142-R146 PolarHBondContact O-N 3.44Å
143	L	97.6	Very high	97.5	Very high	88 Å²	88	99.3 Å²	99.3	46%	0.461	50%	0.5	S	S	.	.	H	α-helix	trans	-65	-38.5	175.7	-72.1	172.7	0	0	0	112.2	Q139 N140 H141 R146 V147	Q139-L143 HydrophobicContact CG-CD1 4.32Å; Q139-L143 WeakPolarHBondContact O-CG 3.48Å; Q139-L143 PolarHBondContact O-N 2.87Å; N140-L143 PolarHBondContact O-N 2.85Å; H141-L143 VanDerWaalsContact C-N 3.32Å; H141-L143 PolarHBondContact O-N 2.93Å; L143-R146 PolarHBondContact O-N 3.48Å; L143-V147 WeakPolarHBondContact O-CG2 3.46Å; L143-V147 PolarHBondContact O-N 2.6Å
144	M	97.9	Very high	97.4	Very high	122 Å²	122	101.4 Å²	101.4	60%	0.601	51%	0.505	S	S	*	.	H	α-helix	trans	-64.6	-42.3	175.4	-70.5	-170.6	-52.5	0	0	112.2	N140 H141 R146 V147 K148	N140-M144 WeakPolarHBondContact O-CG 3.18Å; N140-M144 PolarHBondContact O-N 2.89Å; H141-M144 PolarHBondContact O-N 2.92Å; H141-M144 VanDerWaalsContact O-N 3.17Å; M144-R146 VanDerWaalsContact C-N 3.31Å; M144-R146 PolarHBondContact O-N 2.88Å; M144-V147 PolarHBondContact O-N 3.22Å; M144-K148 PolarHBondContact O-N 2.79Å
145	E	97.8	Very high	97.3	Very high	95 Å²	95	101.7 Å²	101.7	44%	0.444	51%	0.508	S	S	.	.	H	α-helix	trans	-60.4	-43.5	174.2	-70.2	-180	153.8	0	0	111.1	H141 H142 V147 K148 E149	H141-E145 IonicContact CD2-OE1 3.81Å; H141-E145 IonicContact NE2-OE1 3.93Å; H141-E145 PolarHBondContact NE2-OE1 3.39Å; H141-E145 PolarHBondContact O-N 3.26Å; H142-E145 PolarHBondContact O-N 2.8Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.89Å; E145-K148 WeakPolarHBondContact O-CB 3.22Å; E145-K148 PolarHBondContact O-N 3.14Å; E145-K148 VanDerWaalsContact O-N 3.15Å; E145-E149 PolarHBondContact O-N 2.85Å
146	R	98	Very high	97.3	Very high	123 Å²	123	103.6 Å²	103.6	46%	0.464	51%	0.51	S	S	.	.	H	α-helix	trans	-64	-37.6	178.3	-172.7	57.2	177.1	155.2	4.3	112.7	H142 L143 M144 K148 E149 L150	H142-R146 WeakPolarHBondContact O-CB 3.45Å; H142-R146 PolarHBondContact O-N 3.44Å; L143-R146 PolarHBondContact O-N 3.48Å; M144-R146 VanDerWaalsContact C-N 3.31Å; M144-R146 PolarHBondContact O-N 2.88Å; R146-K148 VanDerWaalsContact C-N 3.34Å; R146-E149 WeakPolarHBondContact CD-OE2 3.25Å; R146-E149 IonicContact CZ-OE2 3.64Å; R146-E149 IonicContact NH1-OE2 3.37Å; R146-E149 PolarHBondContact NH1-OE2 2.88Å; R146-E149 PolarHBondContact O-N 3.45Å; R146-L150 HydrophobicContact CG-CD1 4.31Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.27Å; R146-L150 PolarHBondContact O-N 2.79Å
147	V	97.5	Very high	97.2	Very high	76 Å²	76	104.4 Å²	104.4	46%	0.461	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-44.1	173.9	168.2	0	0	0	0	110.4	L143 M144 E145 E149 L150 E151	L143-V147 WeakPolarHBondContact O-CG2 3.46Å; L143-V147 PolarHBondContact O-N 2.6Å; M144-V147 PolarHBondContact O-N 3.22Å; E145-V147 VanDerWaalsContact C-N 3.32Å; E145-V147 PolarHBondContact O-N 2.89Å; V147-E149 PolarHBondContact O-N 3.25Å; V147-L150 PolarHBondContact O-N 3.48Å; V147-E151 HydrophobicContact CG1-CG 4.46Å; V147-E151 WeakPolarHBondContact O-CG 3.17Å; V147-E151 PolarHBondContact O-N 3.31Å
148	K	97.7	Very high	97.1	Very high	125 Å²	125	102 Å²	102	54%	0.543	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-46.3	177.3	-173.9	-173.9	173.4	-164.5	0	112.3	M144 E145 R146 L150 E151 E152	M144-K148 PolarHBondContact O-N 2.79Å; E145-K148 WeakPolarHBondContact O-CB 3.22Å; E145-K148 PolarHBondContact O-N 3.14Å; E145-K148 VanDerWaalsContact O-N 3.15Å; R146-K148 VanDerWaalsContact C-N 3.34Å; K148-L150 VanDerWaalsContact C-N 3.28Å; K148-L150 PolarHBondContact O-N 3.23Å; K148-E151 PolarHBondContact O-N 3.03Å; K148-E152 VanDerWaalsContact CE-OE1 3.25Å; K148-E152 WeakPolarHBondContact CE-OE1 3.49Å; K148-E152 IonicContact NZ-OE1 3.62Å; K148-E152 WeakPolarHBondContact O-CG 3.25Å; K148-E152 PolarHBondContact O-N 3.01Å
149	E	97.4	Very high	97	Very high	94 Å²	94	104.2 Å²	104.2	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-58.8	-41	174.6	-69.2	176.1	174.9	0	0	111.9	E145 R146 V147 E151 E152 T153	E145-E149 PolarHBondContact O-N 2.85Å; R146-E149 WeakPolarHBondContact CD-OE2 3.25Å; R146-E149 IonicContact CZ-OE2 3.64Å; R146-E149 IonicContact NH1-OE2 3.37Å; R146-E149 PolarHBondContact NH1-OE2 2.88Å; R146-E149 PolarHBondContact O-N 3.45Å; V147-E149 PolarHBondContact O-N 3.25Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-E152 PolarHBondContact O-N 3.18Å; E149-T153 WeakPolarHBondContact O-CG2 2.98Å; E149-T153 PolarHBondContact O-N 2.84Å; E149-T153 PolarHBondContact O-OG1 3.21Å
150	L	97.1	Very high	97	Very high	87 Å²	87	103.4 Å²	103.4	46%	0.455	51%	0.506	S	S	.	.	H	α-helix	trans	-67.4	-34.4	177.9	-73.4	171.3	0	0	0	112.3	R146 V147 K148 T153 K154	R146-L150 HydrophobicContact CG-CD1 4.31Å; R146-L150 WeakPolarHBondContact O-CB 3.39Å; R146-L150 VanDerWaalsContact O-CG 3.26Å; R146-L150 WeakPolarHBondContact O-CG 3.27Å; R146-L150 PolarHBondContact O-N 2.79Å; V147-L150 PolarHBondContact O-N 3.48Å; K148-L150 VanDerWaalsContact C-N 3.28Å; K148-L150 PolarHBondContact O-N 3.23Å; L150-T153 WeakPolarHBondContact CA-OG1 3.48Å; L150-T153 PolarHBondContact O-OG1 3.21Å; L150-K154 VanDerWaalsContact O-CB 3.27Å; L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 PolarHBondContact O-N 3.45Å
151	E	97.6	Very high	96.9	Very high	123 Å²	123	105 Å²	105	58%	0.575	51%	0.51	S	S	*	.	H	α-helix	trans	-66.4	-45	173.8	-73.2	174.3	164.7	0	0	111.7	V147 K148 E149 K154 E155	V147-E151 HydrophobicContact CG1-CG 4.46Å; V147-E151 WeakPolarHBondContact O-CG 3.17Å; V147-E151 PolarHBondContact O-N 3.31Å; K148-E151 PolarHBondContact O-N 3.03Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E151-K154 WeakPolarHBondContact O-CB 3.33Å; E151-K154 PolarHBondContact O-N 2.96Å; E151-E155 PolarHBondContact O-N 3.44Å
152	E	97.2	Very high	96.9	Very high	109 Å²	109	102.7 Å²	102.7	51%	0.509	51%	0.509	S	S	.	.	H	α-helix	trans	-62.1	-44.6	176.5	-69.9	174.1	-174.3	0	0	111.7	K148 E149 K154 E155 L156	K148-E152 VanDerWaalsContact CE-OE1 3.25Å; K148-E152 WeakPolarHBondContact CE-OE1 3.49Å; K148-E152 IonicContact NZ-OE1 3.62Å; K148-E152 WeakPolarHBondContact O-CG 3.25Å; K148-E152 PolarHBondContact O-N 3.01Å; E149-E152 PolarHBondContact O-N 3.18Å; E152-K154 VanDerWaalsContact C-N 3.33Å; E152-K154 PolarHBondContact O-N 2.92Å; E152-E155 PolarHBondContact O-N 2.83Å; E152-L156 PolarHBondContact O-N 2.75Å; E152-L156 VanDerWaalsContact O-N 3.15Å
153	T	95.7	Very high	96.9	Very high	75 Å²	75	100.1 Å²	100.1	46%	0.46	51%	0.505	S	S	.	.	H	α-helix	trans	-66.6	-33.8	176.3	56.3	0	0	0	0	113	E149 L150 L156 L157	E149-T153 WeakPolarHBondContact O-CG2 2.98Å; E149-T153 PolarHBondContact O-N 2.84Å; E149-T153 PolarHBondContact O-OG1 3.21Å; L150-T153 WeakPolarHBondContact CA-OG1 3.48Å; L150-T153 PolarHBondContact O-OG1 3.21Å; T153-L156 PolarHBondContact O-N 3.5Å; T153-L157 VanDerWaalsContact O-CG 3.31Å; T153-L157 WeakPolarHBondContact O-CG 3.39Å; T153-L157 PolarHBondContact O-N 2.65Å
154	K	96.2	Very high	96.8	Very high	143 Å²	143	101.6 Å²	101.6	62%	0.622	51%	0.509	S	S	*	.	H	α-helix	trans	-64.9	-43.2	175.1	177.6	-171.8	170.9	-168.5	0	111.3	L150 E151 E152 L156 L157 T158	L150-K154 VanDerWaalsContact O-CB 3.27Å; L150-K154 WeakPolarHBondContact O-CB 3.48Å; L150-K154 PolarHBondContact O-N 3.45Å; E151-K154 WeakPolarHBondContact O-CB 3.33Å; E151-K154 PolarHBondContact O-N 2.96Å; E152-K154 VanDerWaalsContact C-N 3.33Å; E152-K154 PolarHBondContact O-N 2.92Å; K154-L156 VanDerWaalsContact C-N 3.35Å; K154-L157 PolarHBondContact O-N 3.49Å; K154-T158 WeakPolarHBondContact O-CG2 3.33Å; K154-T158 PolarHBondContact O-N 2.84Å; K154-T158 PolarHBondContact O-OG1 2.83Å
155	E	96.4	Very high	96.7	Very high	130 Å²	130	100.4 Å²	100.4	61%	0.607	51%	0.505	S	S	*	.	H	α-helix	trans	-60.2	-46.2	176.9	-172.2	172.9	-174.3	0	0	111	E151 E152 L157 T158 D159	E151-E155 PolarHBondContact O-N 3.44Å; E152-E155 PolarHBondContact O-N 2.83Å; E155-L157 PolarHBondContact O-N 2.84Å; E155-T158 WeakPolarHBondContact CA-OG1 3.41Å; E155-T158 PolarHBondContact O-N 3.12Å; E155-T158 VanDerWaalsContact O-N 3.13Å; E155-T158 PolarHBondContact O-OG1 2.93Å; E155-D159 PolarHBondContact O-N 3.3Å; E155-D159 VanDerWaalsContact O-N 3.11Å
156	L	96.3	Very high	96.7	Very high	99 Å²	99	101.7 Å²	101.7	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-59.9	-43.5	175.9	-173	143.2	0	0	0	112.4	E152 T153 K154 T158 D159 E160	E152-L156 PolarHBondContact O-N 2.75Å; E152-L156 VanDerWaalsContact O-N 3.15Å; T153-L156 PolarHBondContact O-N 3.5Å; K154-L156 VanDerWaalsContact C-N 3.35Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 3.24Å; L156-D159 PolarHBondContact O-N 2.99Å; L156-E160 HydrophobicContact CD2-CG 4.33Å; L156-E160 WeakPolarHBondContact O-CG 3.15Å; L156-E160 PolarHBondContact O-N 2.86Å
157	L	96.3	Very high	96.5	Very high	91 Å²	91	99 Å²	99	48%	0.476	51%	0.511	S	S	.	.	H	α-helix	trans	-64.3	-35.1	176.4	-74.4	170.3	0	0	0	112.6	T153 K154 E155 E160 Q161	T153-L157 VanDerWaalsContact O-CG 3.31Å; T153-L157 WeakPolarHBondContact O-CG 3.39Å; T153-L157 PolarHBondContact O-N 2.65Å; K154-L157 PolarHBondContact O-N 3.49Å; E155-L157 PolarHBondContact O-N 2.84Å; L157-E160 PolarHBondContact O-N 3.22Å; L157-Q161 WeakPolarHBondContact O-CB 3.35Å; L157-Q161 VanDerWaalsContact O-CG 3.25Å; L157-Q161 WeakPolarHBondContact O-CG 3.47Å; L157-Q161 PolarHBondContact O-N 2.7Å
158	T	95.4	Very high	96.5	Very high	65 Å²	65	98.5 Å²	98.5	40%	0.399	51%	0.509	S	S	.	.	H	α-helix	trans	-67.6	-36.7	176.6	48.6	0	0	0	0	112.4	K154 E155 L156 Q161 A162	K154-T158 WeakPolarHBondContact O-CG2 3.33Å; K154-T158 PolarHBondContact O-N 2.84Å; K154-T158 PolarHBondContact O-OG1 2.83Å; E155-T158 WeakPolarHBondContact CA-OG1 3.41Å; E155-T158 PolarHBondContact O-N 3.12Å; E155-T158 VanDerWaalsContact O-N 3.13Å; E155-T158 PolarHBondContact O-OG1 2.93Å; L156-T158 VanDerWaalsContact C-N 3.32Å; L156-T158 PolarHBondContact O-N 3.24Å; T158-Q161 PolarHBondContact O-N 2.92Å; T158-A162 PolarHBondContact O-N 3.47Å
159	D	96.3	Very high	96.5	Very high	108 Å²	108	97.9 Å²	97.9	58%	0.578	51%	0.506	S	S	*	.	H	α-helix	trans	-67.8	-42	175.1	-72.2	-14.3	0	0	0	111.7	E155 L156 Q161 A162 S163	E155-D159 PolarHBondContact O-N 3.3Å; E155-D159 VanDerWaalsContact O-N 3.11Å; L156-D159 PolarHBondContact O-N 2.99Å; D159-Q161 PolarHBondContact O-N 2.81Å; D159-A162 PolarHBondContact O-N 2.65Å; D159-S163 PolarHBondContact O-N 2.76Å
160	E	95.9	Very high	96.4	Very high	97 Å²	97	95.9 Å²	95.9	45%	0.453	51%	0.505	S	S	.	.	H	α-helix	trans	-61.5	-42.7	173.8	-73.1	-175.3	165.6	0	0	111.8	L156 L157 A162 S163 H164	L156-E160 HydrophobicContact CD2-CG 4.33Å; L156-E160 WeakPolarHBondContact O-CG 3.15Å; L156-E160 PolarHBondContact O-N 2.86Å; L157-E160 PolarHBondContact O-N 3.22Å; E160-A162 VanDerWaalsContact C-N 3.35Å; E160-A162 PolarHBondContact O-N 2.92Å; E160-S163 WeakPolarHBondContact O-CB 3.45Å; E160-S163 PolarHBondContact O-N 2.95Å; E160-H164 PolarHBondContact O-CD2 3.37Å; E160-H164 PolarHBondContact O-N 3.09Å
161	Q	96.2	Very high	96.4	Very high	131 Å²	131	97.2 Å²	97.2	61%	0.612	51%	0.512	S	S	*	.	H	α-helix	trans	-61.3	-41.5	175.5	-76.4	176.4	3.5	0	0	112.3	L157 T158 D159 S163 H164 L165	L157-Q161 WeakPolarHBondContact O-CB 3.35Å; L157-Q161 VanDerWaalsContact O-CG 3.25Å; L157-Q161 WeakPolarHBondContact O-CG 3.47Å; L157-Q161 PolarHBondContact O-N 2.7Å; T158-Q161 PolarHBondContact O-N 2.92Å; D159-Q161 PolarHBondContact O-N 2.81Å; Q161-S163 VanDerWaalsContact C-N 3.34Å; Q161-S163 PolarHBondContact O-N 2.9Å; Q161-H164 PolarHBondContact O-N 3.12Å; Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 PolarHBondContact O-N 2.74Å
162	A	96.5	Very high	96.3	Very high	54 Å²	54	95.9 Å²	95.9	45%	0.446	51%	0.506	S	S	.	.	H	α-helix	trans	-62.6	-41.5	175.8	0	0	0	0	0	111.7	T158 D159 E160 L165 L166	T158-A162 PolarHBondContact O-N 3.47Å; D159-A162 PolarHBondContact O-N 2.65Å; E160-A162 VanDerWaalsContact C-N 3.35Å; E160-A162 PolarHBondContact O-N 2.92Å; A162-L165 PolarHBondContact O-N 2.57Å; A162-L166 WeakPolarHBondContact O-CG 3.46Å; A162-L166 PolarHBondContact O-N 2.6Å
163	S	97.3	Very high	96.3	Very high	68 Å²	68	94.7 Å²	94.7	48%	0.476	51%	0.506	S	S	.	.	H	α-helix	trans	-61.8	-47.3	173.9	-175	0	0	0	0	112	D159 E160 Q161 L165 L166 T167	D159-S163 PolarHBondContact O-N 2.76Å; E160-S163 WeakPolarHBondContact O-CB 3.45Å; E160-S163 PolarHBondContact O-N 2.95Å; Q161-S163 VanDerWaalsContact C-N 3.34Å; Q161-S163 PolarHBondContact O-N 2.9Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 3.12Å; S163-L166 PolarHBondContact O-N 3.33Å; S163-L166 VanDerWaalsContact O-N 3.17Å; S163-T167 WeakPolarHBondContact O-CG2 3.48Å; S163-T167 PolarHBondContact O-N 2.85Å
164	H	96.2	Very high	96.4	Very high	118 Å²	118	97.8 Å²	97.8	55%	0.546	51%	0.513	S	S	.	.	H	α-helix	trans	-61.4	-37.4	177	-75.5	-52.7	0	0	0	112.9	E160 Q161 L166 T167 T168	E160-H164 PolarHBondContact O-CD2 3.37Å; E160-H164 PolarHBondContact O-N 3.09Å; Q161-H164 PolarHBondContact O-N 3.12Å; H164-L166 PolarHBondContact O-N 3.38Å; H164-T167 WeakPolarHBondContact CA-OG1 3.45Å; H164-T167 PolarHBondContact O-N 3.46Å; H164-T167 PolarHBondContact O-OG1 2.89Å; H164-T168 WeakPolarHBondContact O-CB 3.48Å; H164-T168 PolarHBondContact O-N 2.71Å; H164-T168 PolarHBondContact O-OG1 3.28Å
165	L	96.8	Very high	96.4	Very high	98 Å²	98	93.7 Å²	93.7	51%	0.513	50%	0.498	S	S	.	.	H	α-helix	trans	-63.2	-40.7	175.6	-176.5	64.2	0	0	0	112.1	Q161 A162 S163 T168 K169	Q161-L165 WeakPolarHBondContact O-CB 3.37Å; Q161-L165 PolarHBondContact O-N 2.74Å; A162-L165 PolarHBondContact O-N 2.57Å; S163-L165 VanDerWaalsContact C-N 3.31Å; S163-L165 PolarHBondContact O-N 3.12Å; L165-T168 PolarHBondContact O-N 3.07Å; L165-K169 WeakPolarHBondContact O-CG 3.29Å; L165-K169 PolarHBondContact O-N 2.75Å; L165-K169 VanDerWaalsContact O-N 3.12Å
166	L	96	Very high	96.4	Very high	121 Å²	121	94.7 Å²	94.7	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-64.9	-43.3	176.3	-69.6	171.6	0	0	0	111.7	A162 S163 H164 K169 A170	A162-L166 WeakPolarHBondContact O-CG 3.46Å; A162-L166 PolarHBondContact O-N 2.6Å; S163-L166 PolarHBondContact O-N 3.33Å; S163-L166 VanDerWaalsContact O-N 3.17Å; H164-L166 PolarHBondContact O-N 3.38Å; L166-K169 PolarHBondContact O-N 3.07Å; L166-A170 PolarHBondContact O-N 2.93Å; L166-A170 VanDerWaalsContact O-N 3.11Å
167	T	95.6	Very high	96.4	Very high	67 Å²	67	95 Å²	95	41%	0.411	50%	0.495	S	S	.	.	H	α-helix	trans	-65.8	-38.7	177.6	62.2	0	0	0	0	112.6	S163 H164 A170 L171	S163-T167 WeakPolarHBondContact O-CG2 3.48Å; S163-T167 PolarHBondContact O-N 2.85Å; H164-T167 WeakPolarHBondContact CA-OG1 3.45Å; H164-T167 PolarHBondContact O-N 3.46Å; H164-T167 PolarHBondContact O-OG1 2.89Å; T167-A170 WeakPolarHBondContact O-CB 3.43Å; T167-A170 PolarHBondContact O-N 2.58Å; T167-L171 WeakPolarHBondContact O-CG 3.43Å; T167-L171 PolarHBondContact O-N 3.15Å
168	T	97.2	Very high	96.4	Very high	66 Å²	66	95.3 Å²	95.3	41%	0.405	50%	0.497	S	S	.	.	H	α-helix	trans	-63.3	-46.4	177.5	-56.3	0	0	0	0	110.9	H164 L165 A170 L171 E172	H164-T168 WeakPolarHBondContact O-CB 3.48Å; H164-T168 PolarHBondContact O-N 2.71Å; H164-T168 PolarHBondContact O-OG1 3.28Å; L165-T168 PolarHBondContact O-N 3.07Å; T168-A170 VanDerWaalsContact C-N 3.27Å; T168-A170 PolarHBondContact O-N 3.38Å; T168-L171 PolarHBondContact O-N 3.46Å; T168-E172 WeakPolarHBondContact O-CG 3.48Å; T168-E172 PolarHBondContact O-N 3.3Å
169	K	96.7	Very high	96.5	Very high	112 Å²	112	97.2 Å²	97.2	49%	0.487	50%	0.501	S	S	.	.	H	α-helix	trans	-58	-39.4	174.3	-72.9	176.4	-178.7	178.2	0	112.2	L165 L166 L171 E172 T173	L165-K169 WeakPolarHBondContact O-CG 3.29Å; L165-K169 PolarHBondContact O-N 2.75Å; L165-K169 VanDerWaalsContact O-N 3.12Å; L166-K169 PolarHBondContact O-N 3.07Å; K169-L171 VanDerWaalsContact C-N 3.33Å; K169-E172 PolarHBondContact O-N 3.02Å; K169-T173 WeakPolarHBondContact O-CG2 3.47Å; K169-T173 PolarHBondContact O-N 2.64Å; K169-T173 PolarHBondContact O-OG1 3.41Å
170	A	96.2	Very high	96.5	Very high	51 Å²	51	96.5 Å²	96.5	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-69.4	-28.1	176.3	0	0	0	0	0	113.4	L166 T167 T168 T173 K174	L166-A170 PolarHBondContact O-N 2.93Å; L166-A170 VanDerWaalsContact O-N 3.11Å; T167-A170 WeakPolarHBondContact O-CB 3.43Å; T167-A170 PolarHBondContact O-N 2.58Å; T168-A170 VanDerWaalsContact C-N 3.27Å; T168-A170 PolarHBondContact O-N 3.38Å; A170-T173 PolarHBondContact O-OG1 2.95Å; A170-K174 WeakPolarHBondContact O-CG 3.29Å
171	L	96.1	Very high	96.5	Very high	115 Å²	115	94.7 Å²	94.7	60%	0.602	49%	0.491	S	S	*	.	H	α-helix	trans	-78.3	-38.2	173.8	-73.1	172.3	0	0	0	112	T167 T168 K169 T173 K174 N175	T167-L171 WeakPolarHBondContact O-CG 3.43Å; T167-L171 PolarHBondContact O-N 3.15Å; T168-L171 PolarHBondContact O-N 3.46Å; K169-L171 VanDerWaalsContact C-N 3.33Å; L171-T173 VanDerWaalsContact C-N 3.33Å; L171-T173 PolarHBondContact O-N 2.71Å; L171-K174 PolarHBondContact O-N 3.4Å; L171-N175 WeakPolarHBondContact O-CB 3.48Å; L171-N175 PolarHBondContact O-N 3.42Å
172	E	96.7	Very high	96.5	Very high	96 Å²	96	93 Å²	93	45%	0.449	49%	0.486	S	S	.	.	H	α-helix	trans	-59.7	-42.3	174.9	-74.5	176.8	-179.5	0	0	112	T168 K169 N175 R176	T168-E172 WeakPolarHBondContact O-CG 3.48Å; T168-E172 PolarHBondContact O-N 3.3Å; K169-E172 PolarHBondContact O-N 3.02Å; E172-N175 PolarHBondContact O-N 2.74Å; E172-R176 WeakPolarHBondContact O-CG 3.22Å; E172-R176 PolarHBondContact O-N 3.13Å
173	T	96.5	Very high	96.5	Very high	83 Å²	83	95 Å²	95	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-63.8	-40.6	176.3	54.1	0	0	0	0	111.9	K169 A170 L171 R176 Q177	K169-T173 WeakPolarHBondContact O-CG2 3.47Å; K169-T173 PolarHBondContact O-N 2.64Å; K169-T173 PolarHBondContact O-OG1 3.41Å; A170-T173 PolarHBondContact O-OG1 2.95Å; L171-T173 VanDerWaalsContact C-N 3.33Å; L171-T173 PolarHBondContact O-N 2.71Å; T173-R176 PolarHBondContact O-N 3.35Å; T173-Q177 PolarHBondContact O-N 2.88Å
174	K	97	Very high	96.4	Very high	140 Å²	140	97.8 Å²	97.8	61%	0.609	49%	0.494	S	S	*	.	H	α-helix	trans	-65.5	-38.7	173.6	-72.9	-175.5	179	-177.1	0	112.5	A170 L171 Q177 L178	A170-K174 WeakPolarHBondContact O-CG 3.29Å; L171-K174 PolarHBondContact O-N 3.4Å; K174-Q177 WeakPolarHBondContact O-CB 3.24Å; K174-Q177 PolarHBondContact O-N 3.34Å; K174-L178 WeakPolarHBondContact O-CG 3.35Å; K174-L178 PolarHBondContact O-N 3.49Å
175	N	96.8	Very high	96.3	Very high	57 Å²	57	96.9 Å²	96.9	31%	0.305	49%	0.493	S	S	.	.	H	α-helix	trans	-65.3	-41.7	178.6	-168	67.4	0	0	0	111.4	L171 E172 Q177 L178 E179	L171-N175 WeakPolarHBondContact O-CB 3.48Å; L171-N175 PolarHBondContact O-N 3.42Å; E172-N175 PolarHBondContact O-N 2.74Å; N175-Q177 VanDerWaalsContact C-N 3.32Å; N175-Q177 PolarHBondContact O-N 2.83Å; N175-L178 PolarHBondContact O-N 2.93Å; N175-E179 PolarHBondContact ND2-OE1 3.17Å; N175-E179 WeakPolarHBondContact O-CG 3.07Å; N175-E179 PolarHBondContact O-N 3.35Å
176	R	96.4	Very high	96.3	Very high	151 Å²	151	98 Å²	98	57%	0.57	50%	0.497	S	S	*	.	H	α-helix	trans	-59.1	-42.6	173	-71.8	178.6	-172.8	150.7	8.1	112.1	E172 T173 L178 E179 D180	E172-R176 WeakPolarHBondContact O-CG 3.22Å; E172-R176 PolarHBondContact O-N 3.13Å; T173-R176 PolarHBondContact O-N 3.35Å; R176-L178 VanDerWaalsContact C-N 3.33Å; R176-L178 PolarHBondContact O-N 2.83Å; R176-E179 PolarHBondContact O-N 3.06Å; R176-D180 PolarHBondContact O-N 3.21Å
177	Q	96.3	Very high	96.2	Very high	105 Å²	105	98.9 Å²	98.9	49%	0.491	50%	0.495	S	S	.	.	H	α-helix	trans	-60.5	-43.1	175.3	-176.1	61.4	46	0	0	111.9	T173 K174 N175 E179 D180 D181	T173-Q177 PolarHBondContact O-N 2.88Å; K174-Q177 WeakPolarHBondContact O-CB 3.24Å; K174-Q177 PolarHBondContact O-N 3.34Å; N175-Q177 VanDerWaalsContact C-N 3.32Å; N175-Q177 PolarHBondContact O-N 2.83Å; Q177-E179 PolarHBondContact O-N 3.47Å; Q177-D180 PolarHBondContact O-N 3.12Å; Q177-D181 PolarHBondContact NE2-OD1 2.95Å; Q177-D181 VanDerWaalsContact O-CG 3.22Å; Q177-D181 PolarHBondContact O-N 3.35Å
178	L	96.6	Very high	96.3	Very high	99 Å²	99	104.5 Å²	104.5	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-66.7	-34.7	178	-71.6	172.5	0	0	0	112.9	K174 N175 R176 D181 N182	K174-L178 WeakPolarHBondContact O-CG 3.35Å; K174-L178 PolarHBondContact O-N 3.49Å; N175-L178 PolarHBondContact O-N 2.93Å; R176-L178 VanDerWaalsContact C-N 3.33Å; R176-L178 PolarHBondContact O-N 2.83Å; L178-D181 PolarHBondContact O-N 3.39Å; L178-N182 VanDerWaalsContact O-CB 3.29Å; L178-N182 WeakPolarHBondContact O-CB 3.4Å; L178-N182 PolarHBondContact O-N 3.11Å; L178-N182 PolarHBondContact O-ND2 3.45Å
179	E	96.7	Very high	96.1	Very high	105 Å²	105	105.2 Å²	105.2	49%	0.491	51%	0.51	S	S	.	.	H	α-helix	trans	-64.8	-43	174.3	-74.4	169.3	-175.3	0	0	111.6	N175 R176 Q177 N182 L183	N175-E179 PolarHBondContact ND2-OE1 3.17Å; N175-E179 WeakPolarHBondContact O-CG 3.07Å; N175-E179 PolarHBondContact O-N 3.35Å; R176-E179 PolarHBondContact O-N 3.06Å; Q177-E179 PolarHBondContact O-N 3.47Å; E179-N182 PolarHBondContact O-N 3.47Å; E179-L183 PolarHBondContact O-N 3.3Å
180	D	96.8	Very high	96	Very high	92 Å²	92	107.3 Å²	107.3	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-63.1	-44.2	175.2	-77	-23	0	0	0	111.6	R176 Q177 L183 Q184	R176-D180 PolarHBondContact O-N 3.21Å; Q177-D180 PolarHBondContact O-N 3.12Å; D180-L183 PolarHBondContact O-N 2.76Å; D180-Q184 WeakPolarHBondContact O-CG 3.46Å; D180-Q184 PolarHBondContact O-N 2.7Å; D180-Q184 VanDerWaalsContact O-N 3.07Å
181	D	96.5	Very high	96	Very high	60 Å²	60	107.7 Å²	107.7	32%	0.321	52%	0.522	S	S	.	.	H	α-helix	trans	-63.2	-42.4	176.5	-67.5	-14.7	0	0	0	111.2	Q177 L178 L183 Q184 L185	Q177-D181 PolarHBondContact NE2-OD1 2.95Å; Q177-D181 VanDerWaalsContact O-CG 3.22Å; Q177-D181 PolarHBondContact O-N 3.35Å; L178-D181 PolarHBondContact O-N 3.39Å; D181-L183 PolarHBondContact O-N 3.11Å; D181-Q184 WeakPolarHBondContact O-CB 3.41Å; D181-Q184 PolarHBondContact O-N 2.52Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.06Å
182	N	95.6	Very high	95.9	Very high	96 Å²	96	107.1 Å²	107.1	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-61.6	-41.5	175.4	-81.1	-27	0	0	0	112.1	L178 E179 Q184 L185 M186	L178-N182 VanDerWaalsContact O-CB 3.29Å; L178-N182 WeakPolarHBondContact O-CB 3.4Å; L178-N182 PolarHBondContact O-N 3.11Å; L178-N182 PolarHBondContact O-ND2 3.45Å; E179-N182 PolarHBondContact O-N 3.47Å; N182-Q184 VanDerWaalsContact C-N 3.31Å; N182-Q184 PolarHBondContact O-N 2.95Å; N182-L185 PolarHBondContact O-N 3.32Å; N182-M186 WeakPolarHBondContact O-CB 3.41Å; N182-M186 WeakPolarHBondContact O-CG 3.42Å; N182-M186 PolarHBondContact O-N 2.85Å
183	L	95.8	Very high	95.8	Very high	95 Å²	95	108.1 Å²	108.1	50%	0.497	52%	0.524	S	S	.	.	H	α-helix	trans	-63.7	-39.3	177	-174.5	67	0	0	0	111.5	E179 D180 D181 M186 K187	E179-L183 PolarHBondContact O-N 3.3Å; D180-L183 PolarHBondContact O-N 2.76Å; D181-L183 PolarHBondContact O-N 3.11Å; L183-M186 PolarHBondContact O-N 2.81Å; L183-K187 WeakPolarHBondContact O-CG 3.34Å; L183-K187 PolarHBondContact O-N 2.98Å; L183-K187 VanDerWaalsContact O-N 3.08Å
184	Q	95.5	Very high	95.7	Very high	127 Å²	127	108.1 Å²	108.1	59%	0.593	53%	0.527	S	S	*	.	H	α-helix	trans	-64	-43.8	174.6	-68.6	178.1	32.1	0	0	111.7	D180 D181 N182 K187 R188	D180-Q184 WeakPolarHBondContact O-CG 3.46Å; D180-Q184 PolarHBondContact O-N 2.7Å; D180-Q184 VanDerWaalsContact O-N 3.07Å; D181-Q184 WeakPolarHBondContact O-CB 3.41Å; D181-Q184 PolarHBondContact O-N 2.52Å; N182-Q184 VanDerWaalsContact C-N 3.31Å; N182-Q184 PolarHBondContact O-N 2.95Å; Q184-K187 PolarHBondContact O-N 2.66Å; Q184-R188 PolarHBondContact O-N 3.43Å; Q184-R188 VanDerWaalsContact O-N 3.11Å
185	L	95.6	Very high	95.5	Very high	99 Å²	99	104.1 Å²	104.1	52%	0.518	51%	0.514	S	S	.	.	H	α-helix	trans	-62.4	-43.9	176.5	-71.7	172.6	0	0	0	111.9	D181 N182 K187 R188 I189	D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.06Å; N182-L185 PolarHBondContact O-N 3.32Å; L185-K187 PolarHBondContact O-N 3Å; L185-R188 WeakPolarHBondContact O-CB 3.24Å; L185-R188 PolarHBondContact O-N 3.11Å; L185-R188 VanDerWaalsContact O-N 3.09Å; L185-I189 WeakPolarHBondContact O-CG1 3.38Å; L185-I189 PolarHBondContact O-N 3.32Å
186	M	95.1	Very high	95.4	Very high	121 Å²	121	104.7 Å²	104.7	60%	0.596	52%	0.52	S	S	*	.	H	α-helix	trans	-62	-40.9	177.4	-75	-63.2	-72.7	0	0	112.6	N182 L183 R188 I189 K190	N182-M186 WeakPolarHBondContact O-CB 3.41Å; N182-M186 WeakPolarHBondContact O-CG 3.42Å; N182-M186 PolarHBondContact O-N 2.85Å; L183-M186 PolarHBondContact O-N 2.81Å; M186-R188 VanDerWaalsContact C-N 3.29Å; M186-R188 PolarHBondContact O-N 2.79Å; M186-I189 PolarHBondContact O-N 2.9Å; M186-I189 HydrophobicContact SD-CD1 4.42Å; M186-K190 WeakPolarHBondContact O-CB 3.42Å; M186-K190 PolarHBondContact O-N 3.43Å
187	K	95.2	Very high	95.2	Very high	139 Å²	139	102.7 Å²	102.7	60%	0.604	52%	0.517	S	S	*	.	H	α-helix	trans	-59	-42.1	172.8	-73.9	172.8	-177.5	174.3	0	111.3	L183 Q184 L185 K190 A191	L183-K187 WeakPolarHBondContact O-CG 3.34Å; L183-K187 PolarHBondContact O-N 2.98Å; L183-K187 VanDerWaalsContact O-N 3.08Å; Q184-K187 PolarHBondContact O-N 2.66Å; L185-K187 PolarHBondContact O-N 3Å; K187-K190 PolarHBondContact O-N 3.29Å; K187-A191 PolarHBondContact O-N 2.92Å
188	R	96.3	Very high	95.1	Very high	185 Å²	185	104.8 Å²	104.8	70%	0.698	52%	0.52	S	S	*	.	H	α-helix	trans	-68.2	-41.7	178.9	-166.6	168.1	-176.8	166.7	-0.9	112.3	Q184 L185 M186 A191 L192	Q184-R188 PolarHBondContact O-N 3.43Å; Q184-R188 VanDerWaalsContact O-N 3.11Å; L185-R188 WeakPolarHBondContact O-CB 3.24Å; L185-R188 PolarHBondContact O-N 3.11Å; L185-R188 VanDerWaalsContact O-N 3.09Å; M186-R188 VanDerWaalsContact C-N 3.29Å; M186-R188 PolarHBondContact O-N 2.79Å; R188-A191 PolarHBondContact O-N 3.25Å; R188-L192 WeakPolarHBondContact O-CG 3.19Å; R188-L192 PolarHBondContact O-N 3.13Å
189	I	94.6	Very high	94.9	Very high	81 Å²	81	104.9 Å²	104.9	42%	0.415	52%	0.521	S	S	.	.	H	α-helix	trans	-61.2	-46.5	174.6	-69.9	168.6	0	0	0	110.3	L185 M186 A191 L192 Q193	L185-I189 WeakPolarHBondContact O-CG1 3.38Å; L185-I189 PolarHBondContact O-N 3.32Å; M186-I189 PolarHBondContact O-N 2.9Å; M186-I189 HydrophobicContact SD-CD1 4.42Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 3.16Å; I189-L192 PolarHBondContact O-N 2.52Å; I189-L192 VanDerWaalsContact O-N 3.17Å; I189-Q193 HydrophobicContact CG2-CG 4.32Å; I189-Q193 WeakPolarHBondContact O-CG 3.47Å; I189-Q193 PolarHBondContact O-N 3.22Å
190	K	94.8	Very high	94.7	Very high	156 Å²	156	104.6 Å²	104.6	68%	0.678	52%	0.518	S	S	*	.	H	α-helix	trans	-61.8	-40.3	178.6	-171.7	173.6	-177.4	175.2	0	112.3	M186 K187 Q193 S194	M186-K190 WeakPolarHBondContact O-CB 3.42Å; M186-K190 PolarHBondContact O-N 3.43Å; K187-K190 PolarHBondContact O-N 3.29Å; K190-Q193 PolarHBondContact O-N 3.31Å; K190-S194 PolarHBondContact O-N 3.46Å
191	A	95.3	Very high	94.5	Very high	59 Å²	59	104.3 Å²	104.3	49%	0.488	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-45.2	174.1	0	0	0	0	0	111.5	K187 R188 I189 S194 T195	K187-A191 PolarHBondContact O-N 2.92Å; R188-A191 PolarHBondContact O-N 3.25Å; I189-A191 VanDerWaalsContact C-N 3.33Å; I189-A191 PolarHBondContact O-N 3.16Å; A191-S194 PolarHBondContact O-N 3.11Å; A191-T195 WeakPolarHBondContact O-CG2 3.49Å; A191-T195 PolarHBondContact O-N 2.87Å; A191-T195 VanDerWaalsContact O-N 3.1Å
192	L	94.9	Very high	94.3	Very high	103 Å²	103	105.5 Å²	105.5	54%	0.539	52%	0.522	S	S	.	.	H	α-helix	trans	-62.7	-42.9	175.8	-72.8	170.1	0	0	0	112	R188 I189 S194 T195 V196	R188-L192 WeakPolarHBondContact O-CG 3.19Å; R188-L192 PolarHBondContact O-N 3.13Å; I189-L192 PolarHBondContact O-N 2.52Å; I189-L192 VanDerWaalsContact O-N 3.17Å; L192-S194 PolarHBondContact O-N 2.89Å; L192-T195 WeakPolarHBondContact CA-OG1 3.44Å; L192-T195 PolarHBondContact O-N 2.94Å; L192-T195 VanDerWaalsContact O-N 3.11Å; L192-T195 PolarHBondContact O-OG1 2.89Å; L192-V196 WeakPolarHBondContact O-CG2 3.3Å; L192-V196 PolarHBondContact O-N 3.06Å
193	Q	93.7	Very high	94.1	Very high	118 Å²	118	106.3 Å²	106.3	55%	0.551	52%	0.523	S	S	*	.	H	α-helix	trans	-59.1	-44.8	175.8	-75.5	173.4	-21.6	0	0	112	I189 K190 T195 V196 E197	I189-Q193 HydrophobicContact CG2-CG 4.32Å; I189-Q193 WeakPolarHBondContact O-CG 3.47Å; I189-Q193 PolarHBondContact O-N 3.22Å; K190-Q193 PolarHBondContact O-N 3.31Å; Q193-T195 VanDerWaalsContact C-N 3.29Å; Q193-T195 PolarHBondContact O-N 3.37Å; Q193-V196 PolarHBondContact O-N 3.03Å; Q193-V196 VanDerWaalsContact O-N 3.13Å; Q193-E197 WeakPolarHBondContact O-CB 3.46Å; Q193-E197 PolarHBondContact O-N 3.19Å
194	S	94.1	Very high	93.8	Very high	83 Å²	83	108.9 Å²	108.9	58%	0.58	53%	0.527	S	S	*	.	H	α-helix	trans	-59.2	-39.9	174.4	176.2	0	0	0	0	112.2	K190 A191 L192 E197 R198	K190-S194 PolarHBondContact O-N 3.46Å; A191-S194 PolarHBondContact O-N 3.11Å; L192-S194 PolarHBondContact O-N 2.89Å; S194-E197 PolarHBondContact O-N 3.19Å; S194-R198 WeakPolarHBondContact O-CB 3.39Å; S194-R198 PolarHBondContact O-N 2.81Å
195	T	94	Very high	93.5	Very high	56 Å²	56	107.3 Å²	107.3	34%	0.344	52%	0.522	S	S	.	.	H	α-helix	trans	-66.5	-37.9	174.7	61.7	0	0	0	0	113.1	A191 L192 Q193 L199	A191-T195 WeakPolarHBondContact O-CG2 3.49Å; A191-T195 PolarHBondContact O-N 2.87Å; A191-T195 VanDerWaalsContact O-N 3.1Å; L192-T195 WeakPolarHBondContact CA-OG1 3.44Å; L192-T195 PolarHBondContact O-N 2.94Å; L192-T195 VanDerWaalsContact O-N 3.11Å; L192-T195 PolarHBondContact O-OG1 2.89Å; Q193-T195 VanDerWaalsContact C-N 3.29Å; Q193-T195 PolarHBondContact O-N 3.37Å; T195-L199 WeakPolarHBondContact O-CG 3.28Å; T195-L199 PolarHBondContact O-N 2.84Å; T195-L199 VanDerWaalsContact O-N 3.09Å
196	V	93.2	Very high	93.3	Very high	68 Å²	68	105.7 Å²	105.7	41%	0.412	52%	0.517	S	S	.	.	H	α-helix	trans	-67.9	-43.6	176.6	170.6	0	0	0	0	110.8	L192 Q193 R198 L199 K200	L192-V196 WeakPolarHBondContact O-CG2 3.3Å; L192-V196 PolarHBondContact O-N 3.06Å; Q193-V196 PolarHBondContact O-N 3.03Å; Q193-V196 VanDerWaalsContact O-N 3.13Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 2.85Å; V196-L199 PolarHBondContact O-N 3.12Å; V196-L199 VanDerWaalsContact O-N 3.15Å; V196-K200 HydrophobicContact CG1-CD 4.33Å; V196-K200 HydrophobicContact CG1-CG 4.45Å; V196-K200 WeakPolarHBondContact O-CG 3.48Å; V196-K200 PolarHBondContact O-N 3.19Å
197	E	93	Very high	92.9	Very high	109 Å²	109	104.6 Å²	104.6	51%	0.509	51%	0.51	S	S	.	.	H	α-helix	trans	-58.4	-45.2	176.8	-157.2	74.2	-169.8	0	0	110.9	Q193 S194 L199 K200 N201	Q193-E197 WeakPolarHBondContact O-CB 3.46Å; Q193-E197 PolarHBondContact O-N 3.19Å; S194-E197 PolarHBondContact O-N 3.19Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.83Å; E197-K200 PolarHBondContact O-N 3.34Å; E197-N201 PolarHBondContact O-N 3.18Å
198	R	93.3	Very high	92.6	Very high	149 Å²	149	104.9 Å²	104.9	56%	0.562	51%	0.508	S	S	*	.	H	α-helix	trans	-61.2	-41.4	175.9	-174.6	174.4	61.9	89.4	2.1	112.2	S194 V196 N201 I202	S194-R198 WeakPolarHBondContact O-CB 3.39Å; S194-R198 PolarHBondContact O-N 2.81Å; V196-R198 VanDerWaalsContact C-N 3.31Å; V196-R198 PolarHBondContact O-N 2.85Å; R198-N201 PolarHBondContact O-N 3.14Å; R198-I202 HydrophobicContact CG-CD1 4.42Å; R198-I202 VanDerWaalsContact O-CG1 3.32Å; R198-I202 WeakPolarHBondContact O-CG1 3.46Å; R198-I202 PolarHBondContact O-N 3.14Å
199	L	93.7	Very high	92.2	Very high	102 Å²	102	104 Å²	104	53%	0.534	51%	0.505	S	S	.	.	H	α-helix	trans	-66.1	-42.5	176.2	-73	172.1	0	0	0	111.8	T195 V196 E197 N201 I202 E203	T195-L199 WeakPolarHBondContact O-CG 3.28Å; T195-L199 PolarHBondContact O-N 2.84Å; T195-L199 VanDerWaalsContact O-N 3.09Å; V196-L199 PolarHBondContact O-N 3.12Å; V196-L199 VanDerWaalsContact O-N 3.15Å; E197-L199 VanDerWaalsContact C-N 3.34Å; E197-L199 PolarHBondContact O-N 2.83Å; L199-N201 PolarHBondContact O-N 2.97Å; L199-I202 PolarHBondContact O-N 2.94Å; L199-E203 PolarHBondContact O-N 3.18Å
200	K	92.3	Very high	91.8	Very high	99 Å²	99	106.4 Å²	106.4	43%	0.43	51%	0.512	S	S	.	.	H	α-helix	trans	-60.8	-42.8	175.3	-75.5	-179.1	178.1	179.7	0	112	V196 E197 I202 E203 Y204	V196-K200 HydrophobicContact CG1-CD 4.33Å; V196-K200 HydrophobicContact CG1-CG 4.45Å; V196-K200 WeakPolarHBondContact O-CG 3.48Å; V196-K200 PolarHBondContact O-N 3.19Å; E197-K200 PolarHBondContact O-N 3.34Å; K200-I202 VanDerWaalsContact C-N 3.33Å; K200-I202 PolarHBondContact O-N 2.57Å; K200-E203 CarbonylContact O-C 3.59Å; K200-E203 WeakPolarHBondContact O-CB 3.37Å; K200-E203 PolarHBondContact O-N 3.1Å; K200-E203 VanDerWaalsContact O-N 3.13Å; K200-Y204 HydrophobicContact CB-CD2 4.37Å; K200-Y204 HydrophobicContact CB-CE2 4.31Å; K200-Y204 WeakPolarHBondContact O-CB 3.27Å; K200-Y204 WeakPolarHBondContact O-CD2 3.13Å; K200-Y204 PolarHBondContact O-N 2.68Å
201	N	92	Very high	91.3	Very high	85 Å²	85	100.9 Å²	100.9	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-62.3	-41.4	177.3	-71.4	-12.2	0	0	0	111.9	E197 R198 L199 E203 Y204 D205	E197-N201 PolarHBondContact O-N 3.18Å; R198-N201 PolarHBondContact O-N 3.14Å; L199-N201 PolarHBondContact O-N 2.97Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 3.22Å; N201-Y204 PolarHBondContact O-N 2.76Å; N201-D205 PolarHBondContact O-N 2.9Å
202	I	92.9	Very high	90.7	Very high	85 Å²	85	102.6 Å²	102.6	44%	0.436	49%	0.494	S	S	.	.	H	α-helix	trans	-62	-41.9	173.6	-66	164.5	0	0	0	110.5	R198 L199 K200 D205 V206	R198-I202 HydrophobicContact CG-CD1 4.42Å; R198-I202 VanDerWaalsContact O-CG1 3.32Å; R198-I202 WeakPolarHBondContact O-CG1 3.46Å; R198-I202 PolarHBondContact O-N 3.14Å; L199-I202 PolarHBondContact O-N 2.94Å; K200-I202 VanDerWaalsContact C-N 3.33Å; K200-I202 PolarHBondContact O-N 2.57Å; I202-D205 PolarHBondContact O-N 3.11Å; I202-V206 VanDerWaalsContact O-CG2 3.3Å; I202-V206 WeakPolarHBondContact O-CG2 3.45Å; I202-V206 PolarHBondContact O-N 3.43Å
203	E	90.8	Very high	90.1	Very high	114 Å²	114	104.1 Å²	104.1	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-44.1	177.4	-168.5	177.9	178.4	0	0	111.9	L199 K200 N201 V206 Q207	L199-E203 PolarHBondContact O-N 3.18Å; K200-E203 CarbonylContact O-C 3.59Å; K200-E203 WeakPolarHBondContact O-CB 3.37Å; K200-E203 PolarHBondContact O-N 3.1Å; K200-E203 VanDerWaalsContact O-N 3.13Å; N201-E203 VanDerWaalsContact C-N 3.3Å; N201-E203 PolarHBondContact O-N 3.22Å; E203-V206 PolarHBondContact O-N 3.5Å; E203-Q207 WeakPolarHBondContact O-CB 3.28Å; E203-Q207 WeakPolarHBondContact O-CG 3.39Å; E203-Q207 PolarHBondContact O-N 3.48Å; E203-Q207 PolarHBondContact OE1-NE2 3.39Å
204	Y	89.6	Confident	89.6	Confident	149 Å²	149	102 Å²	102	58%	0.584	49%	0.493	S	S	*	.	H	α-helix	trans	-60.1	-44.3	173.8	-80.6	-60.4	0	0	0	111.8	K200 N201 V206 Q207 Y208	K200-Y204 HydrophobicContact CB-CD2 4.37Å; K200-Y204 HydrophobicContact CB-CE2 4.31Å; K200-Y204 WeakPolarHBondContact O-CB 3.27Å; K200-Y204 WeakPolarHBondContact O-CD2 3.13Å; K200-Y204 PolarHBondContact O-N 2.68Å; N201-Y204 PolarHBondContact O-N 2.76Å; Y204-V206 VanDerWaalsContact C-N 3.31Å; Y204-V206 PolarHBondContact O-N 3.34Å; Y204-Q207 PolarHBondContact O-N 2.96Å; Y204-Y208 WeakPolarHBondContact O-CB 3.43Å; Y204-Y208 PolarHBondContact O-N 3Å
205	D	89.8	Confident	88.8	Confident	93 Å²	93	102.5 Å²	102.5	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-60.8	-41.5	176.3	-76.7	-20.5	0	0	0	111.6	N201 I202 R209	N201-D205 PolarHBondContact O-N 2.9Å; I202-D205 PolarHBondContact O-N 3.11Å; D205-R209 VanDerWaalsContact O-CG 3.29Å; D205-R209 WeakPolarHBondContact O-CG 3.43Å; D205-R209 PolarHBondContact O-N 3.03Å
206	V	90.4	Very high	88	Confident	66 Å²	66	108.9 Å²	108.9	40%	0.4	51%	0.506	S	S	.	.	H	α-helix	trans	-66.3	-45.2	176.4	170.4	0	0	0	0	111	I202 E203 Y204 R209 K210	I202-V206 VanDerWaalsContact O-CG2 3.3Å; I202-V206 WeakPolarHBondContact O-CG2 3.45Å; I202-V206 PolarHBondContact O-N 3.43Å; E203-V206 PolarHBondContact O-N 3.5Å; Y204-V206 VanDerWaalsContact C-N 3.31Å; Y204-V206 PolarHBondContact O-N 3.34Å; V206-R209 PolarHBondContact O-N 3.28Å; V206-K210 HydrophobicContact CG1-CD 4.43Å; V206-K210 WeakPolarHBondContact O-CG 3.1Å; V206-K210 PolarHBondContact O-N 3.42Å
207	Q	88.4	Confident	87.2	Confident	98 Å²	98	112.5 Å²	112.5	46%	0.458	52%	0.516	S	S	.	.	H	α-helix	trans	-64.5	-40.6	176.8	-72.4	-177.2	17.4	0	0	111.4	E203 Y204 K210 A211	E203-Q207 WeakPolarHBondContact O-CB 3.28Å; E203-Q207 WeakPolarHBondContact O-CG 3.39Å; E203-Q207 PolarHBondContact O-N 3.48Å; E203-Q207 PolarHBondContact OE1-NE2 3.39Å; Y204-Q207 PolarHBondContact O-N 2.96Å; Q207-K210 PolarHBondContact O-N 3.32Å; Q207-A211 VanDerWaalsContact O-CB 3.29Å; Q207-A211 WeakPolarHBondContact O-CB 3.23Å; Q207-A211 PolarHBondContact O-N 3.04Å
208	Y	87.8	Confident	86.1	Confident	145 Å²	145	111.2 Å²	111.2	57%	0.569	51%	0.513	S	S	*	.	H	α-helix	trans	-64.5	-42.1	177.4	-177.7	-104.1	0	0	0	111.4	Y204 A211 Q212	Y204-Y208 WeakPolarHBondContact O-CB 3.43Å; Y204-Y208 PolarHBondContact O-N 3Å; Y208-A211 CarbonylContact O-C 3.57Å; Y208-A211 PolarHBondContact O-N 3.3Å; Y208-Q212 HydrophobicContact CD1-CG 4.19Å; Y208-Q212 HydrophobicContact CE1-CG 3.83Å; Y208-Q212 HydrophobicContact CE2-CG 4.37Å; Y208-Q212 WeakPolarHBondContact O-CB 3.26Å; Y208-Q212 WeakPolarHBondContact O-CG 3.25Å; Y208-Q212 PolarHBondContact O-N 3.45Å; Y208-Q212 PolarHBondContact OH-NE2 3.42Å
209	R	86.9	Confident	84.4	Confident	167 Å²	167	109.1 Å²	109.1	63%	0.63	51%	0.512	S	S	*	.	H	α-helix	trans	-61.7	-45.9	172.6	-73.6	176.8	-168.5	-173.5	5	111.9	D205 V206 A211 Q212 E213	D205-R209 VanDerWaalsContact O-CG 3.29Å; D205-R209 WeakPolarHBondContact O-CG 3.43Å; D205-R209 PolarHBondContact O-N 3.03Å; V206-R209 PolarHBondContact O-N 3.28Å; R209-A211 VanDerWaalsContact C-N 3.3Å; R209-A211 PolarHBondContact O-N 3.02Å; R209-Q212 PolarHBondContact O-N 3.5Å; R209-E213 WeakPolarHBondContact O-CG 3.4Å; R209-E213 PolarHBondContact O-N 3.42Å
210	K	87.5	Confident	83.2	Confident	130 Å²	130	111.5 Å²	111.5	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-60.8	-40.6	175	-73.4	177.5	179.3	-179.3	0	111.8	V206 Q207 E213 T214	V206-K210 HydrophobicContact CG1-CD 4.43Å; V206-K210 WeakPolarHBondContact O-CG 3.1Å; V206-K210 PolarHBondContact O-N 3.42Å; Q207-K210 PolarHBondContact O-N 3.32Å; K210-E213 PolarHBondContact O-N 3.49Å; K210-T214 WeakPolarHBondContact O-CB 3.37Å; K210-T214 PolarHBondContact O-N 3.23Å; K210-T214 PolarHBondContact O-OG1 3.42Å
211	A	84.1	Confident	81.4	Confident	41 Å²	41	111.6 Å²	111.6	34%	0.339	53%	0.526	S	S	.	.	H	α-helix	trans	-67.8	-41.7	176.5	0	0	0	0	0	111	Q207 Y208 R209 E213 T214 I215	Q207-A211 VanDerWaalsContact O-CB 3.29Å; Q207-A211 WeakPolarHBondContact O-CB 3.23Å; Q207-A211 PolarHBondContact O-N 3.04Å; Y208-A211 CarbonylContact O-C 3.57Å; Y208-A211 PolarHBondContact O-N 3.3Å; R209-A211 VanDerWaalsContact C-N 3.3Å; R209-A211 PolarHBondContact O-N 3.02Å; A211-E213 VanDerWaalsContact C-N 3.34Å; A211-E213 PolarHBondContact O-N 2.82Å; A211-T214 CarbonylContact O-C 3.47Å; A211-T214 PolarHBondContact O-N 2.96Å; A211-I215 VanDerWaalsContact O-CB 3.27Å; A211-I215 WeakPolarHBondContact O-CB 3.36Å; A211-I215 WeakPolarHBondContact O-CG1 3.17Å; A211-I215 PolarHBondContact O-N 2.81Å
212	Q	82.4	Confident	79.2	Confident	94 Å²	94	109.6 Å²	109.6	44%	0.439	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-38.8	173.2	-80.7	-167.1	-22.8	0	0	112	Y208 R209 I215 R216	Y208-Q212 HydrophobicContact CD1-CG 4.19Å; Y208-Q212 HydrophobicContact CE1-CG 3.83Å; Y208-Q212 HydrophobicContact CE2-CG 4.37Å; Y208-Q212 WeakPolarHBondContact O-CB 3.26Å; Y208-Q212 WeakPolarHBondContact O-CG 3.25Å; Y208-Q212 PolarHBondContact O-N 3.45Å; Y208-Q212 PolarHBondContact OH-NE2 3.42Å; R209-Q212 PolarHBondContact O-N 3.5Å; Q212-I215 PolarHBondContact O-N 2.84Å; Q212-R216 WeakPolarHBondContact O-CB 3.47Å; Q212-R216 PolarHBondContact O-N 3.42Å
213	E	83.1	Confident	77.3	Confident	135 Å²	135	111.5 Å²	111.5	63%	0.631	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-41.6	172.5	-76.3	173.8	176.1	0	0	111.3	R209 K210 A211 R216 K217	R209-E213 WeakPolarHBondContact O-CG 3.4Å; R209-E213 PolarHBondContact O-N 3.42Å; K210-E213 PolarHBondContact O-N 3.49Å; A211-E213 VanDerWaalsContact C-N 3.34Å; A211-E213 PolarHBondContact O-N 2.82Å; E213-R216 PolarHBondContact O-N 2.9Å; E213-K217 WeakPolarHBondContact O-CB 3.44Å; E213-K217 PolarHBondContact O-N 3.24Å
214	T	82.7	Confident	75	Confident	73 Å²	73	113.3 Å²	113.3	45%	0.448	55%	0.55	S	S	.	.	H	α-helix	trans	-66.4	-39.7	176.1	-54.3	0	0	0	0	111.3	K210 A211 K217 N218	K210-T214 WeakPolarHBondContact O-CB 3.37Å; K210-T214 PolarHBondContact O-N 3.23Å; K210-T214 PolarHBondContact O-OG1 3.42Å; A211-T214 CarbonylContact O-C 3.47Å; A211-T214 PolarHBondContact O-N 2.96Å; T214-K217 CarbonylContact O-C 3.4Å; T214-K217 WeakPolarHBondContact O-CB 3.11Å; T214-K217 PolarHBondContact O-N 2.82Å; T214-N218 VanDerWaalsContact O-CB 3.25Å; T214-N218 WeakPolarHBondContact O-CB 3.3Å; T214-N218 PolarHBondContact O-N 3.14Å; T214-N218 PolarHBondContact O-OD1 3.37Å
215	I	76.3	Confident	72.2	Confident	94 Å²	94	110.6 Å²	110.6	48%	0.482	55%	0.553	S	S	.	*	H	α-helix	trans	-72	-38.1	175.9	-72.1	165.3	0	0	0	109.8	A211 Q212 K217 N218 L219	A211-I215 VanDerWaalsContact O-CB 3.27Å; A211-I215 WeakPolarHBondContact O-CB 3.36Å; A211-I215 WeakPolarHBondContact O-CG1 3.17Å; A211-I215 PolarHBondContact O-N 2.81Å; Q212-I215 PolarHBondContact O-N 2.84Å; I215-K217 VanDerWaalsContact C-N 3.26Å; I215-K217 PolarHBondContact O-N 2.82Å; I215-N218 CarbonylContact O-C 3.45Å; I215-N218 PolarHBondContact O-N 2.83Å; I215-L219 HydrophobicContact CG2-CD1 3.47Å; I215-L219 VanDerWaalsContact CG2-CD1 3.47Å; I215-L219 HydrophobicContact CG2-CG 3.92Å; I215-L219 WeakPolarHBondContact O-CA 3.42Å; I215-L219 WeakPolarHBondContact O-CB 3.46Å; I215-L219 VanDerWaalsContact O-CG 3.24Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 2.72Å
216	R	77.5	Confident	69.5	Low	190 Å²	190	111.6 Å²	111.6	72%	0.717	56%	0.563	S	S	*	*	H	α-helix	trans	-60.4	-42.2	171.8	-177.9	-179.4	177.9	178.7	0.4	110.1	Q212 E213 Q220	Q212-R216 WeakPolarHBondContact O-CB 3.47Å; Q212-R216 PolarHBondContact O-N 3.42Å; E213-R216 PolarHBondContact O-N 2.9Å; R216-Q220 WeakPolarHBondContact O-CB 3.47Å; R216-Q220 PolarHBondContact O-N 3.31Å
217	K	77.3	Confident	66.7	Low	144 Å²	144	116.1 Å²	116.1	63%	0.626	58%	0.583	S	S	*	*	H	α-helix	trans	-65.3	-47.2	173.5	-166.9	-178.9	-179.7	-176.1	0	111.4	E213 T214 I215 L219 Q220 D221	E213-K217 WeakPolarHBondContact O-CB 3.44Å; E213-K217 PolarHBondContact O-N 3.24Å; T214-K217 CarbonylContact O-C 3.4Å; T214-K217 WeakPolarHBondContact O-CB 3.11Å; T214-K217 PolarHBondContact O-N 2.82Å; I215-K217 VanDerWaalsContact C-N 3.26Å; I215-K217 PolarHBondContact O-N 2.82Å; K217-L219 VanDerWaalsContact C-N 3.33Å; K217-L219 PolarHBondContact O-N 3.23Å; K217-Q220 WeakPolarHBondContact O-CB 3.49Å; K217-Q220 PolarHBondContact O-N 2.89Å; K217-D221 VanDerWaalsContact O-CG 3.22Å; K217-D221 PolarHBondContact O-N 3.2Å
218	N	69.1	Low	64.1	Low	82 Å²	82	120.1 Å²	120.1	44%	0.439	60%	0.599	S	S	.	*	H	α-helix	trans	-70.8	-25.4	179	-68.2	-7.7	0	0	0	112.5	T214 I215 D221 A222	T214-N218 VanDerWaalsContact O-CB 3.25Å; T214-N218 WeakPolarHBondContact O-CB 3.3Å; T214-N218 PolarHBondContact O-N 3.14Å; T214-N218 PolarHBondContact O-OD1 3.37Å; I215-N218 CarbonylContact O-C 3.45Å; I215-N218 PolarHBondContact O-N 2.83Å; N218-D221 CarbonylContact O-C 3.49Å; N218-D221 PolarHBondContact O-N 3.31Å; N218-A222 VanDerWaalsContact O-CA 3.31Å; N218-A222 WeakPolarHBondContact O-CA 3.5Å; N218-A222 WeakPolarHBondContact O-CB 3.19Å; N218-A222 PolarHBondContact O-N 3.33Å
219	L	59.1	Low	61.4	Low	105 Å²	105	118.6 Å²	118.6	55%	0.55	60%	0.604	S	S	.	*	H	α-helix	trans	-78.6	-36	173.1	-83	164.3	0	0	0	109.7	I215 K217 D221 A222 V223	I215-L219 HydrophobicContact CG2-CD1 3.47Å; I215-L219 VanDerWaalsContact CG2-CD1 3.47Å; I215-L219 HydrophobicContact CG2-CG 3.92Å; I215-L219 WeakPolarHBondContact O-CA 3.42Å; I215-L219 WeakPolarHBondContact O-CB 3.46Å; I215-L219 VanDerWaalsContact O-CG 3.24Å; I215-L219 WeakPolarHBondContact O-CG 3.46Å; I215-L219 PolarHBondContact O-N 2.72Å; K217-L219 VanDerWaalsContact C-N 3.33Å; K217-L219 PolarHBondContact O-N 3.23Å; L219-D221 PolarHBondContact O-N 3.16Å; L219-A222 PolarHBondContact O-N 3.2Å; L219-V223 VanDerWaalsContact O-CG2 3.23Å; L219-V223 WeakPolarHBondContact O-CG2 3.37Å; L219-V223 PolarHBondContact O-N 3.34Å
220	Q	67.5	Low	58.7	Low	153 Å²	153	117.2 Å²	117.2	72%	0.715	62%	0.615	S	S	*	*	H	α-helix	trans	-55.1	-39.7	163.8	-161	89.5	32	0	0	109.9	R216 K217	R216-Q220 WeakPolarHBondContact O-CB 3.47Å; R216-Q220 PolarHBondContact O-N 3.31Å; K217-Q220 WeakPolarHBondContact O-CB 3.49Å; K217-Q220 PolarHBondContact O-N 2.89Å
221	D	55.4	Low	56	Low	101 Å²	101	118.2 Å²	118.2	54%	0.54	63%	0.627	S	S	.	*	H	α-helix	trans	-83.5	-28.1	179.7	-61.6	-24.9	0	0	0	113.8	K217 N218 L219	K217-D221 VanDerWaalsContact O-CG 3.22Å; K217-D221 PolarHBondContact O-N 3.2Å; N218-D221 CarbonylContact O-C 3.49Å; N218-D221 PolarHBondContact O-N 3.31Å; L219-D221 PolarHBondContact O-N 3.16Å
222	A	44.5	Very low	53.5	Low	43 Å²	43	122.2 Å²	122.2	36%	0.355	65%	0.652	S	S	.	*	H	α-helix	trans	-106.6	7.1	-172.8	0	0	0	0	0	114	N218 L219 N224 S225	N218-A222 VanDerWaalsContact O-CA 3.31Å; N218-A222 WeakPolarHBondContact O-CA 3.5Å; N218-A222 WeakPolarHBondContact O-CB 3.19Å; N218-A222 PolarHBondContact O-N 3.33Å; L219-A222 PolarHBondContact O-N 3.2Å; A222-N224 PolarHBondContact O-N 3.35Å; A222-S225 PolarHBondContact O-N 3.25Å
223	V	53.8	Low	51	Low	125 Å²	125	125.5 Å²	125.5	76%	0.758	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-8.5	148.8	162.5	0	0	0	0	111.4	L219	L219-V223 VanDerWaalsContact O-CG2 3.23Å; L219-V223 WeakPolarHBondContact O-CG2 3.37Å; L219-V223 PolarHBondContact O-N 3.34Å
224	N	42.4	Very low	48.4	Very low	151 Å²	151	125.4 Å²	125.4	81%	0.807	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.5	3.3	167.9	-78	-18.7	0	0	0	118	A222	A222-N224 PolarHBondContact O-N 3.35Å
225	S	30	Very low	46.3	Very low	93 Å²	93	127 Å²	127	65%	0.65	70%	0.7	S	S	*	*			trans	-167.7	141.4	171.8	51.6	0	0	0	0	116	A222	A222-S225 PolarHBondContact O-N 3.25Å
226	T	33.5	Very low	44.4	Very low	114 Å²	114	130.6 Å²	130.6	70%	0.699	72%	0.72	S	S	*	*			trans	-86.8	154.3	-177.6	-45.8	0	0	0	0	113.3	F228	T226-F228 HydrophobicContact CG2-CE2 4.42Å
227	I	32.3	Very low	42.5	Very low	161 Å²	161	131.1 Å²	131.1	83%	0.826	73%	0.727	S	S	*	*			trans	155.9	164.6	134.7	-75.2	156.1	0	0	0	113.3
228	F	32.9	Very low	40.9	Very low	182 Å²	182	130.4 Å²	130.4	80%	0.798	74%	0.737	S	S	*	*			trans	-103.2	149.4	-146.5	-72.5	-100.9	0	0	0	118.8	T226	T226-F228 HydrophobicContact CG2-CE2 4.42Å
229	V	31.7	Very low	39.4	Very low	112 Å²	112	134.1 Å²	134.1	68%	0.679	76%	0.756	S	S	*	*			trans	-26	152.6	147.1	-179.9	0	0	0	0	118.5
230	T	30.3	Very low	38.8	Very low	139 Å²	139	135.2 Å²	135.2	85%	0.853	77%	0.77	S	S	*	*				-177.7	128.7	120	37.1	0	0	0	0	113.8
231	D	29.6	Very low	38.3	Very low	151 Å²	151	132.2 Å²	132.2	81%	0.807	77%	0.765	S	S	*	*			trans	-76.8	164.3	171.8	-62.1	-53.8	0	0	0	113.4
232	S	31.4	Very low	39.2	Very low	125 Å²	125	136 Å²	136	87%	0.874	78%	0.776	S	S	*	*			trans	-169.4	126.8	143.6	29.5	0	0	0	0	114
233	D	30.7	Very low	41	Very low	163 Å²	163	134.6 Å²	134.6	87%	0.872	76%	0.764	S	S	*	*			trans	-79.3	159.4	168.1	-73.3	-48.1	0	0	0	112.8
234	C	29.3	Very low	42.5	Very low	132 Å²	132	130.1 Å²	130.1	89%	0.892	74%	0.74	S	S	*	*			trans	-168	146	140.1	-141.1	0	0	0	0	113.8
235	S	38.7	Very low	44.7	Very low	108 Å²	108	124.5 Å²	124.5	76%	0.755	71%	0.71	S	S	*	*			trans	-142.3	138.1	175.8	64.9	0	0	0	0	109.7
236	D	35.2	Very low	47.6	Very low	168 Å²	168	120.1 Å²	120.1	90%	0.898	68%	0.679	S	S	*	*			trans	-150.8	152.9	170	-110.8	-24.9	0	0	0	113.8
237	K	38	Very low	50.3	Low	201 Å²	201	122.8 Å²	122.8	87%	0.874	68%	0.676	S	S	*	*			trans	-103.9	158.3	-169	-71.4	175.2	177.3	174.8	0	113.6
238	P	44.2	Very low	53.1	Low	130 Å²	130	119.2 Å²	119.2	84%	0.844	66%	0.659	S	S	*	*			trans	-108.4	159	-169.1	25.2	-6.4	0	0	0	117.1
239	L	37.2	Very low	55.9	Low	160 Å²	160	113 Å²	113	84%	0.838	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-102	165	-179.3	-81.4	142.2	0	0	0	112.8
240	P	46.4	Very low	58.7	Low	127 Å²	127	109.2 Å²	109.2	83%	0.825	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-76.2	134.6	-176.9	29.5	-33.4	0	0	0	114.1
241	C	56.5	Low	61.7	Low	91 Å²	91	103.7 Å²	103.7	62%	0.615	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-93	140	-172.4	-88.4	0	0	0	0	114.2
242	K	75.7	Confident	64.7	Low	179 Å²	179	102.1 Å²	102.1	78%	0.778	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-75	154.8	158.4	-73.7	-171	171.7	-167.1	0	110	A244	K242-A244 PolarHBondContact O-N 2.77Å
243	S	80.4	Confident	67.7	Low	14 Å²	14	97.1 Å²	97.1	10%	0.098	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-67.5	132	173.9	-48	0	0	0	0	110.8	P481 D482 G525	S243-P481 WeakPolarHBondContact OG-CD 3.44Å; S243-D482 WeakPolarHBondContact CB-OD2 3.21Å; S243-D482 PolarHBondContact N-OD2 2.82Å; S243-D482 PolarHBondContact OG-OD1 2.88Å; S243-D482 PolarHBondContact OG-OD2 3.4Å; S243-G525 WeakPolarHBondContact CA-O 3.45Å
244	A	86.1	Confident	70.7	Confident	32 Å²	32	93.5 Å²	93.5	26%	0.264	51%	0.512	S	S	.	.			trans	-105.4	139.5	179.3	0	0	0	0	0	109.8	K242 P246 G525 S542	K242-A244 PolarHBondContact O-N 2.77Å; A244-P246 VanDerWaalsContact O-CD 3.29Å; A244-P246 WeakPolarHBondContact O-CD 3.4Å; A244-G525 PolarHBondContact N-O 2.81Å; A244-S542 VanDerWaalsContact CB-CB 3.44Å; A244-S542 WeakPolarHBondContact CB-OG 3.43Å
245	L	89.3	Confident	73.5	Confident	33 Å²	33	87.2 Å²	87.2	17%	0.173	47%	0.47	C	S	.	.			trans	-65.7	118.5	177.6	-76.4	167.4	0	0	0	109.8	Y485 I497 E506 I507 S542	L245-Y485 HydrophobicContact CD1-CE1 4.18Å; L245-Y485 HydrophobicContact CD2-CD1 3.79Å; L245-Y485 HydrophobicContact CD2-CD2 4.5Å; L245-Y485 HydrophobicContact CD2-CE1 3.77Å; L245-Y485 HydrophobicContact CD2-CE2 4.49Å; L245-Y485 HydrophobicContact CD2-CG 4.16Å; L245-Y485 HydrophobicContact CG-CE1 4.09Å; L245-Y485 HydrophobicContact CG-CE2 4.47Å; L245-I497 HydrophobicContact CD2-CG2 3.8Å; L245-E506 HydrophobicContact CD1-CB 4.34Å; L245-E506 HydrophobicContact CD2-CB 4.34Å; L245-I507 HydrophobicContact CD2-CG2 4.29Å; L245-S542 WeakPolarHBondContact O-CB 3.4Å
246	P	89.6	Confident	75.9	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	44%	0.435	C	S	.	.			trans	-65.8	137.5	173.8	26.1	-31.3	0	0	0	109.5	A244 I497 L509 W521 L528 W540 S541	A244-P246 VanDerWaalsContact O-CD 3.29Å; A244-P246 WeakPolarHBondContact O-CD 3.4Å; P246-I497 HydrophobicContact CG-CD1 3.62Å; P246-L509 HydrophobicContact CB-CD1 4.26Å; P246-L509 HydrophobicContact CG-CD1 4.06Å; P246-L509 WeakPolarHBondContact O-CD2 3.47Å; P246-W521 HydrophobicContact CG-CZ2 4.32Å; P246-L528 HydrophobicContact CB-CB 4.46Å; P246-L528 HydrophobicContact CG-CB 3.94Å; P246-L528 HydrophobicContact CG-CD2 4.2Å; P246-W540 HydrophobicContact CB-CB 3.62Å; P246-W540 HydrophobicContact CG-CB 4.4Å; P246-S541 WeakPolarHBondContact CA-O 3.5Å
247	R	90	Very high	78.5	Confident	170 Å²	170	80.2 Å²	80.2	64%	0.642	42%	0.42	S	S	*	.			trans	-127.7	-32	-179.6	-70.3	-173.6	174.2	144.4	0.1	112.9	I507 S541	R247-I507 HydrophobicContact CB-CD1 4.46Å; R247-I507 HydrophobicContact CG-CD1 3.81Å; R247-S541 PolarHBondContact N-O 2.84Å
248	N	91.1	Very high	81	Confident	87 Å²	87	74.9 Å²	74.9	47%	0.465	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.8	-172.7	-59.9	-39.5	0	0	0	110.7	A250 W540 S541 L543	N248-A250 PolarHBondContact O-N 3.2Å; N248-W540 CarbonylContact O-C 3.59Å; N248-W540 VanDerWaalsContact O-CA 3.31Å; N248-W540 WeakPolarHBondContact O-CA 3.46Å; N248-S541 PolarHBondContact N-O 3.1Å; N248-S541 VanDerWaalsContact N-O 3.09Å; N248-S541 PolarHBondContact O-N 3.18Å; N248-L543 PolarHBondContact ND2-O 3.07Å
249	V	92	Very high	83.4	Confident	50 Å²	50	71.7 Å²	71.7	30%	0.303	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	114.8	166.4	176.1	0	0	0	0	108.2	K252 D511 I538 W540	V249-K252 HydrophobicContact CG1-CD 4.36Å; V249-K252 HydrophobicContact CG1-CG 3.58Å; V249-D511 HydrophobicContact CG2-CB 3.88Å; V249-I538 HydrophobicContact CB-CG2 4.45Å; V249-I538 HydrophobicContact CG1-CG2 3.83Å; V249-I538 HydrophobicContact CG2-CG2 4.15Å; V249-W540 HydrophobicContact CG2-CE3 3.74Å; V249-W540 HydrophobicContact CG2-CH2 4.09Å; V249-W540 HydrophobicContact CG2-CZ3 3.39Å
250	A	91.3	Very high	86.1	Confident	34 Å²	34	64 Å²	64	28%	0.281	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-49.2	172.5	0	0	0	0	0	110.5	N248 Y286 V539	N248-A250 PolarHBondContact O-N 3.2Å; A250-Y286 HydrophobicContact CB-CE2 4.43Å; A250-V539 WeakPolarHBondContact CA-O 3.18Å; A250-V539 WeakPolarHBondContact CB-O 3.47Å; A250-V539 PolarHBondContact N-O 2.99Å
251	V	93	Very high	88.5	Confident	23 Å²	23	58.6 Å²	58.6	14%	0.139	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.8	-179	-168.4	0	0	0	0	111	I253 Y286 G289 C291 I538 V539	V251-I253 HydrophobicContact CG1-CG2 3.77Å; V251-Y286 HydrophobicContact CG2-CE2 4.25Å; V251-G289 VanDerWaalsContact CG2-C 3.48Å; V251-G289 WeakPolarHBondContact CG2-O 3.24Å; V251-C291 HydrophobicContact CB-CB 4.29Å; V251-C291 HydrophobicContact CG1-CB 3.75Å; V251-C291 HydrophobicContact CG2-CB 4.32Å; V251-I538 WeakPolarHBondContact O-CA 3.4Å; V251-V539 PolarHBondContact N-O 3.4Å; V251-V539 PolarHBondContact O-N 2.98Å
252	K	93.7	Very high	90.4	Very high	118 Å²	118	54.5 Å²	54.5	51%	0.513	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.6	165.8	-51	-173.7	-163.7	-161.4	0	108.9	V249 D511 I538	V249-K252 HydrophobicContact CG1-CD 4.36Å; V249-K252 HydrophobicContact CG1-CG 3.58Å; K252-D511 WeakPolarHBondContact CD-OD1 3.33Å; K252-D511 WeakPolarHBondContact CE-OD1 3.49Å; K252-D511 IonicContact NZ-OD1 2.89Å; K252-D511 PolarHBondContact NZ-OD1 3.05Å; K252-D511 IonicContact NZ-OD2 3.51Å; K252-D511 PolarHBondContact NZ-OD2 3.42Å; K252-I538 HydrophobicContact CG-CG1 4.3Å
253	I	94.2	Very high	91.4	Very high	19 Å²	19	46 Å²	46	10%	0.097	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	147.7	177.8	58.5	162.6	0	0	0	111.7	V251 A255 F272 W284 C291 K536 A537	V251-I253 HydrophobicContact CG1-CG2 3.77Å; I253-A255 HydrophobicContact CD1-CB 4.27Å; I253-A255 PolarHBondContact O-N 3.4Å; I253-F272 HydrophobicContact CD1-CE2 3.82Å; I253-F272 HydrophobicContact CD1-CZ 3.57Å; I253-W284 HydrophobicContact CB-CZ3 4.42Å; I253-W284 HydrophobicContact CD1-CD2 3.69Å; I253-W284 HydrophobicContact CD1-CE3 3.88Å; I253-W284 HydrophobicContact CD1-CG 4.17Å; I253-W284 HydrophobicContact CD1-CH2 4.2Å; I253-W284 HydrophobicContact CD1-CZ2 4.05Å; I253-W284 HydrophobicContact CD1-CZ3 4.1Å; I253-W284 HydrophobicContact CG2-CZ3 4.44Å; I253-C291 HydrophobicContact CG2-CB 3.86Å; I253-K536 CarbonylContact O-C 3.59Å; I253-K536 VanDerWaalsContact O-CA 3.25Å; I253-K536 WeakPolarHBondContact O-CA 3.39Å; I253-A537 HydrophobicContact CD1-CB 4.11Å; I253-A537 HydrophobicContact CG1-CB 3.88Å; I253-A537 VanDerWaalsContact CG1-O 3.32Å; I253-A537 WeakPolarHBondContact CG1-O 3.32Å; I253-A537 PolarHBondContact N-O 3.4Å; I253-A537 PolarHBondContact O-N 3.12Å
254	D	92.7	Very high	92.2	Very high	87 Å²	87	47.6 Å²	47.6	47%	0.465	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	95.7	161.7	-82.7	-18.2	0	0	0	107.7	K535	D254-K535 VanDerWaalsContact CG-NZ 3.33Å; D254-K535 VanDerWaalsContact OD1-CE 3.22Å; D254-K535 WeakPolarHBondContact OD1-CE 3.36Å; D254-K535 IonicContact OD1-NZ 2.62Å; D254-K535 PolarHBondContact OD1-NZ 2.91Å; D254-K535 IonicContact OD2-NZ 2.67Å; D254-K535 PolarHBondContact OD2-NZ 2.93Å
255	A	88.8	Confident	92.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.226	C	C	.	.			trans	-72.8	-38.1	-171.1	0	0	0	0	0	112.6	I253 V260 S274 R282 W284 K535 A537	I253-A255 HydrophobicContact CD1-CB 4.27Å; I253-A255 PolarHBondContact O-N 3.4Å; A255-V260 HydrophobicContact CB-CG2 4.14Å; A255-S274 PolarHBondContact O-OG 2.92Å; A255-R282 WeakPolarHBondContact O-CD 3.22Å; A255-R282 PolarHBondContact O-NH1 2.72Å; A255-W284 WeakPolarHBondContact O-CZ2 3.41Å; A255-K535 WeakPolarHBondContact CB-O 3.32Å; A255-K535 PolarHBondContact N-O 2.88Å; A255-A537 HydrophobicContact CB-CB 3.78Å
256	N	88.5	Confident	93.1	Very high	5 Å²	5	44.8 Å²	44.8	3%	0.027	22%	0.219	C	C	.	.			trans	-139.7	162.9	-179.5	-68.3	69.9	0	0	0	111.3	N258 V260 S274 G276 D278 K280 R282 K535	N256-N258 VanDerWaalsContact C-N 3.3Å; N256-N258 WeakPolarHBondContact CB-O 3.42Å; N256-V260 HydrophobicContact CB-CG2 3.91Å; N256-S274 PolarHBondContact OD1-OG 2.67Å; N256-S274 VanDerWaalsContact OD1-OG 3.08Å; N256-G276 PolarHBondContact ND2-N 3.02Å; N256-D278 WeakPolarHBondContact CB-OD2 3.38Å; N256-D278 PolarHBondContact ND2-OD1 2.78Å; N256-D278 PolarHBondContact ND2-OD2 3.16Å; N256-K280 PolarHBondContact ND2-O 3.43Å; N256-R282 PolarHBondContact ND2-NH1 3.45Å; N256-K535 PolarHBondContact N-O 2.9Å; N256-K535 VanDerWaalsContact O-CB 3.24Å; N256-K535 WeakPolarHBondContact O-CB 3.28Å
257	E	89.2	Confident	93.3	Very high	124 Å²	124	47.6 Å²	47.6	58%	0.579	24%	0.237	S	C	*	.	S	Bend	trans	-76.4	-23.3	177.3	-69.3	159.8	-139.7	0	0	112	D278 K280 R282	E257-D278 HydrophobicContact CB-CB 4.05Å; E257-D278 PolarHBondContact N-OD2 2.83Å; E257-D278 VanDerWaalsContact N-OD2 3.08Å; E257-K280 IonicContact OE1-NZ 3.32Å; E257-K280 PolarHBondContact OE1-NZ 3.03Å; E257-K280 IonicContact OE2-NZ 3.74Å; E257-R282 IonicContact OE1-NH2 2.71Å; E257-R282 PolarHBondContact OE1-NH2 3.3Å
258	N	91.3	Very high	93.4	Very high	90 Å²	90	41.4 Å²	41.4	48%	0.481	22%	0.22	S	C	.	.	S	Bend	trans	-132.1	-171	179.6	-70.9	-23.9	0	0	0	110	N256 V260 F277 D278 I534	N256-N258 VanDerWaalsContact C-N 3.3Å; N256-N258 WeakPolarHBondContact CB-O 3.42Å; N258-V260 PolarHBondContact O-N 3.39Å; N258-F277 HydrophobicContact CB-CB 3.77Å; N258-D278 HydrophobicContact CB-CB 4.34Å; N258-I534 CarbonylContact C-O 3.57Å
259	E	93.6	Very high	93.5	Very high	62 Å²	62	37.4 Å²	37.4	29%	0.29	20%	0.199	S	C	.	.			trans	-48.2	133	-175.7	-64.3	-171.5	-167.7	0	0	114	G276 F277 R533 I534	E259-G276 CarbonylContact O-C 3.59Å; E259-G276 WeakPolarHBondContact O-CA 3.43Å; E259-F277 HydrophobicContact CB-CB 4.24Å; E259-F277 HydrophobicContact CB-CD2 3.51Å; E259-F277 HydrophobicContact CB-CE2 4.07Å; E259-F277 HydrophobicContact CB-CG 4.07Å; E259-F277 PolarHBondContact O-N 2.78Å; E259-R533 CarbonylContact C-O 3.58Å; E259-R533 WeakPolarHBondContact CA-O 3.17Å; E259-R533 WeakPolarHBondContact CB-O 3.35Å; E259-R533 VanDerWaalsContact CD-NE 3.35Å; E259-R533 HydrophobicContact CG-CG 4.21Å; E259-R533 WeakPolarHBondContact CG-O 3.41Å; E259-R533 IonicContact OE1-CZ 3.84Å; E259-R533 IonicContact OE1-NE 3.97Å; E259-R533 PolarHBondContact OE1-NE 2.88Å; E259-R533 IonicContact OE1-NH2 2.81Å; E259-R533 PolarHBondContact OE1-NH2 2.85Å; E259-R533 VanDerWaalsContact OE1-NH2 3.15Å; E259-R533 IonicContact OE2-CZ 3.72Å; E259-R533 IonicContact OE2-NE 3.51Å; E259-R533 PolarHBondContact OE2-NE 2.99Å; E259-R533 IonicContact OE2-NH2 2.82Å; E259-R533 PolarHBondContact OE2-NH2 3.25Å; E259-I534 WeakPolarHBondContact CA-O 3.34Å; E259-I534 PolarHBondContact N-O 3.42Å
260	V	95.1	Very high	93.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	126.2	178.8	-173	0	0	0	0	109.1	A255 N256 N258 V263 C531 R533	A255-V260 HydrophobicContact CB-CG2 4.14Å; N256-V260 HydrophobicContact CB-CG2 3.91Å; N258-V260 PolarHBondContact O-N 3.39Å; V260-V263 HydrophobicContact CG1-CG1 4.23Å; V260-C531 HydrophobicContact CB-CB 4.09Å; V260-C531 HydrophobicContact CG1-CB 3.64Å; V260-R533 PolarHBondContact N-O 2.96Å; V260-R533 VanDerWaalsContact N-O 3.1Å
261	N	95.9	Very high	93.7	Very high	12 Å²	12	40.2 Å²	40.2	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-31.1	-179.2	-69.6	-36.7	0	0	0	112.8	A275 F277 V304 V517	N261-A275 PolarHBondContact N-O 2.88Å; N261-F277 WeakPolarHBondContact OD1-CE2 3.36Å; N261-V304 WeakPolarHBondContact CB-O 3.12Å; N261-V304 PolarHBondContact ND2-O 2.87Å; N261-V517 WeakPolarHBondContact O-CG1 3.48Å
262	S	96.3	Very high	93.9	Very high	5 Å²	5	39.1 Å²	39.1	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	142.3	-172.2	-167	0	0	0	0	112.1	A275 I307	S262-A275 PolarHBondContact N-O 2.79Å; S262-A275 PolarHBondContact O-N 3.47Å; S262-I307 PolarHBondContact OG-N 3.47Å
263	V	97.4	Very high	94	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.3	170.7	-71.2	0	0	0	0	109.6	V260 G273 C518 V529 C531 A537	V260-V263 HydrophobicContact CG1-CG1 4.23Å; V263-G273 VanDerWaalsContact CA-O 3.27Å; V263-G273 WeakPolarHBondContact CA-O 3.39Å; V263-C518 HydrophobicContact CG2-CB 4.22Å; V263-C518 PolarHBondContact O-SG 3.15Å; V263-C518 VanDerWaalsContact O-SG 3.41Å; V263-V529 HydrophobicContact CB-CG1 4.16Å; V263-V529 HydrophobicContact CB-CG2 4.28Å; V263-V529 HydrophobicContact CG2-CG1 4Å; V263-V529 HydrophobicContact CG2-CG2 4.28Å; V263-C531 HydrophobicContact CB-CB 4.5Å; V263-C531 HydrophobicContact CG1-CB 3.63Å; V263-C531 HydrophobicContact CG2-CB 4.07Å; V263-A537 HydrophobicContact CG1-CB 4.28Å
264	R	97.4	Very high	94.2	Very high	47 Å²	47	32.6 Å²	32.6	18%	0.177	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	136.3	-176.7	-166.2	154.3	-158	-171.3	-4.3	111.6	F272 G273 I307 D308 F309 K350 H520	R264-F272 CarbonylContact O-C 3.54Å; R264-F272 WeakPolarHBondContact O-CA 3.48Å; R264-F272 WeakPolarHBondContact O-CB 3.35Å; R264-G273 PolarHBondContact N-O 2.75Å; R264-G273 VanDerWaalsContact N-O 3.12Å; R264-G273 PolarHBondContact O-N 3.3Å; R264-I307 HydrophobicContact CB-CD1 3.77Å; R264-I307 HydrophobicContact CB-CG1 3.8Å; R264-D308 IonicContact CZ-OD1 3.37Å; R264-D308 IonicContact NE-OD1 3.26Å; R264-D308 IonicContact NH1-OD1 3.8Å; R264-D308 PolarHBondContact NH1-OD1 3.5Å; R264-D308 IonicContact NH2-OD1 3.59Å; R264-F309 HydrophobicContact CB-CD2 4.35Å; R264-F309 HydrophobicContact CB-CE2 4.07Å; R264-F309 HydrophobicContact CG-CD2 4.21Å; R264-F309 HydrophobicContact CG-CE2 4.41Å; R264-F309 VanDerWaalsContact O-CE2 3.25Å; R264-F309 WeakPolarHBondContact O-CE2 3.26Å; R264-K350 VanDerWaalsContact NH1-CE 3.29Å; R264-H520 PolarHBondContact NE-CD2 3.14Å; R264-H520 PolarHBondContact NE-NE2 3.25Å
265	F	97.4	Very high	94.4	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	150.8	170.3	-80.1	-79.2	0	0	0	111.1	F272 Y286 F309 H520 N522 V529 V539	F265-F272 HydrophobicContact CD1-CB 3.66Å; F265-F272 HydrophobicContact CD1-CD1 4.38Å; F265-F272 HydrophobicContact CD1-CG 4.45Å; F265-F272 HydrophobicContact CE1-CB 3.93Å; F265-F272 AromaticContact CE1-CD1 3.81Å; F265-F272 HydrophobicContact CE1-CD1 3.81Å; F265-F272 HydrophobicContact CE1-CG 4.24Å; F265-F272 HydrophobicContact CG-CB 4.02Å; F265-F272 HydrophobicContact CZ-CD1 4.29Å; F265-Y286 HydrophobicContact CE1-CD1 4.17Å; F265-Y286 HydrophobicContact CZ-CD1 4.47Å; F265-F309 WeakPolarHBondContact O-CD2 3.44Å; F265-H520 PolarHBondContact N-ND1 3.36Å; F265-N522 HydrophobicContact CD1-CB 4.41Å; F265-N522 HydrophobicContact CD2-CB 3.94Å; F265-N522 HydrophobicContact CE1-CB 4.35Å; F265-N522 VanDerWaalsContact CE1-ND2 3.35Å; F265-N522 WeakPolarHBondContact CE1-ND2 3.26Å; F265-N522 HydrophobicContact CE2-CB 3.82Å; F265-N522 HydrophobicContact CG-CB 4.23Å; F265-N522 HydrophobicContact CZ-CB 4.07Å; F265-V529 HydrophobicContact CD2-CB 4.27Å; F265-V529 HydrophobicContact CD2-CG1 3.66Å; F265-V529 HydrophobicContact CE2-CB 3.51Å; F265-V529 HydrophobicContact CE2-CG1 3.42Å; F265-V529 VanDerWaalsContact CE2-CG1 3.42Å; F265-V529 HydrophobicContact CZ-CB 3.95Å; F265-V529 HydrophobicContact CZ-CG1 4.21Å; F265-V539 HydrophobicContact CZ-CG1 4.35Å
266	T	96.4	Very high	94.6	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.146	C	C	.	.			trans	-71.3	156.6	163.8	69.7	0	0	0	0	110	S268 G269 I271 F309 E313 P523	T266-S268 PolarHBondContact O-N 2.78Å; T266-S268 VanDerWaalsContact O-N 3.13Å; T266-S268 PolarHBondContact OG1-OG 3.2Å; T266-G269 WeakPolarHBondContact O-CA 3.4Å; T266-G269 PolarHBondContact O-N 3.45Å; T266-I271 HydrophobicContact CG2-CB 3.75Å; T266-I271 HydrophobicContact CG2-CG2 3.97Å; T266-I271 WeakPolarHBondContact CG2-O 3.23Å; T266-I271 PolarHBondContact N-O 3.03Å; T266-I271 PolarHBondContact OG1-O 3.25Å; T266-F309 HydrophobicContact CG2-CD1 3.72Å; T266-F309 HydrophobicContact CG2-CD2 4.12Å; T266-F309 HydrophobicContact CG2-CE1 3.7Å; T266-F309 HydrophobicContact CG2-CE2 4.15Å; T266-F309 HydrophobicContact CG2-CG 3.91Å; T266-F309 HydrophobicContact CG2-CZ 3.92Å; T266-E313 WeakPolarHBondContact CB-OE1 3.47Å; T266-E313 PolarHBondContact OG1-OE1 2.82Å; T266-P523 WeakPolarHBondContact O-CG 3.45Å
267	P	94.1	Very high	95	Very high	58 Å²	58	32.8 Å²	32.8	38%	0.377	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.9	-33.3	177.6	-31.3	33.5	0	0	0	117.1	E313 P523	P267-E313 HydrophobicContact CB-CG 4.17Å; P267-E313 WeakPolarHBondContact CD-OE1 3.21Å; P267-E313 HydrophobicContact CG-CG 4.08Å; P267-P523 WeakPolarHBondContact O-CB 3.42Å; P267-P523 WeakPolarHBondContact O-CG 3.46Å
268	S	92.8	Very high	95.3	Very high	41 Å²	41	27.4 Å²	27.4	29%	0.287	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-18.8	176.1	64.9	0	0	0	0	113.2	T266 H270 E313	T266-S268 PolarHBondContact O-N 2.78Å; T266-S268 VanDerWaalsContact O-N 3.13Å; T266-S268 PolarHBondContact OG1-OG 3.2Å; S268-H270 PolarHBondContact O-N 3.27Å; S268-H270 PolarHBondContact OG-CD2 2.81Å; S268-E313 VanDerWaalsContact CB-OE1 3.25Å; S268-E313 WeakPolarHBondContact CB-OE1 3.43Å; S268-E313 VanDerWaalsContact CB-OE2 3.22Å; S268-E313 WeakPolarHBondContact CB-OE2 3.33Å; S268-E313 PolarHBondContact N-OE1 2.57Å; S268-E313 PolarHBondContact OG-OE1 2.88Å; S268-E313 PolarHBondContact OG-OE2 3.35Å
269	G	92.5	Very high	95.5	Very high	2 Å²	2	29.7 Å²	29.7	2%	0.021	14%	0.142	C	C	.	.	S	Bend	trans	76.3	3.6	-179.6	0	0	0	0	0	115.1	T266 N522	T266-G269 WeakPolarHBondContact O-CA 3.4Å; T266-G269 PolarHBondContact O-N 3.45Å; G269-N522 WeakPolarHBondContact CA-OD1 3.32Å; G269-N522 PolarHBondContact O-ND2 3.2Å
270	H	92.3	Very high	95.6	Very high	108 Å²	108	29.6 Å²	29.6	50%	0.5	14%	0.14	S	C	.	.	S	Bend	trans	-81.3	-27.2	179.5	-61.7	-48	0	0	0	113.2	S268 Y286	S268-H270 PolarHBondContact O-N 3.27Å; S268-H270 PolarHBondContact OG-CD2 2.81Å; H270-Y286 PolarHBondContact O-N 2.98Å
271	I	95.2	Very high	95.6	Very high	36 Å²	36	29.7 Å²	29.7	19%	0.185	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.1	-179.8	-63.5	172.3	0	0	0	108.3	T266 L283 W284	T266-I271 HydrophobicContact CG2-CB 3.75Å; T266-I271 HydrophobicContact CG2-CG2 3.97Å; T266-I271 WeakPolarHBondContact CG2-O 3.23Å; T266-I271 PolarHBondContact N-O 3.03Å; T266-I271 PolarHBondContact OG1-O 3.25Å; I271-L283 HydrophobicContact CG2-CB 4.07Å; I271-W284 CarbonylContact C-O 3.57Å; I271-W284 WeakPolarHBondContact CA-O 3.44Å
272	F	96.4	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.7	163.2	68.5	-90.1	0	0	0	111.1	I253 R264 F265 W284 C291 V529 V539	I253-F272 HydrophobicContact CD1-CE2 3.82Å; I253-F272 HydrophobicContact CD1-CZ 3.57Å; R264-F272 CarbonylContact O-C 3.54Å; R264-F272 WeakPolarHBondContact O-CA 3.48Å; R264-F272 WeakPolarHBondContact O-CB 3.35Å; F265-F272 HydrophobicContact CD1-CB 3.66Å; F265-F272 HydrophobicContact CD1-CD1 4.38Å; F265-F272 HydrophobicContact CD1-CG 4.45Å; F265-F272 HydrophobicContact CE1-CB 3.93Å; F265-F272 AromaticContact CE1-CD1 3.81Å; F265-F272 HydrophobicContact CE1-CD1 3.81Å; F265-F272 HydrophobicContact CE1-CG 4.24Å; F265-F272 HydrophobicContact CG-CB 4.02Å; F265-F272 HydrophobicContact CZ-CD1 4.29Å; F272-W284 HydrophobicContact CD1-CB 3.96Å; F272-W284 HydrophobicContact CD2-CB 4.15Å; F272-W284 AromaticContact CD2-CD1 3.92Å; F272-W284 HydrophobicContact CD2-CG 4.3Å; F272-W284 HydrophobicContact CE1-CB 3.59Å; F272-W284 HydrophobicContact CE1-CG 4.34Å; F272-W284 HydrophobicContact CE2-CB 3.78Å; F272-W284 AromaticContact CE2-CD1 3.52Å; F272-W284 AromaticContact CE2-CG 3.71Å; F272-W284 HydrophobicContact CE2-CG 3.71Å; F272-W284 HydrophobicContact CG-CB 4.24Å; F272-W284 HydrophobicContact CZ-CB 3.5Å; F272-W284 VanDerWaalsContact CZ-CB 3.5Å; F272-W284 HydrophobicContact CZ-CD2 4.49Å; F272-W284 AromaticContact CZ-CG 3.75Å; F272-W284 HydrophobicContact CZ-CG 3.75Å; F272-W284 PolarHBondContact N-O 3.43Å; F272-W284 PolarHBondContact O-N 3.43Å; F272-C291 VanDerWaalsContact CE1-SG 3.54Å; F272-C291 VanDerWaalsContact CZ-SG 3.53Å; F272-V529 HydrophobicContact CD2-CG2 4.18Å; F272-V529 HydrophobicContact CE2-CG2 4.11Å; F272-V529 HydrophobicContact CZ-CG2 4.49Å; F272-V539 HydrophobicContact CE1-CG2 3.85Å; F272-V539 HydrophobicContact CZ-CG2 4.02Å
273	G	97.2	Very high	95.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	148.8	173.4	0	0	0	0	0	111.6	V263 R264 R282 I307	V263-G273 VanDerWaalsContact CA-O 3.27Å; V263-G273 WeakPolarHBondContact CA-O 3.39Å; R264-G273 PolarHBondContact N-O 2.75Å; R264-G273 VanDerWaalsContact N-O 3.12Å; R264-G273 PolarHBondContact O-N 3.3Å; G273-R282 CarbonylContact C-O 3.57Å; G273-R282 VanDerWaalsContact CA-O 3.28Å; G273-R282 WeakPolarHBondContact CA-O 3.39Å; G273-I307 WeakPolarHBondContact O-CD1 3.15Å
274	S	97.3	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	140.8	163.2	74	0	0	0	0	110.2	A255 N256 L281 R282 W284	A255-S274 PolarHBondContact O-OG 2.92Å; N256-S274 PolarHBondContact OD1-OG 2.67Å; N256-S274 VanDerWaalsContact OD1-OG 3.08Å; S274-L281 CarbonylContact O-C 3.47Å; S274-L281 WeakPolarHBondContact O-CA 3.45Å; S274-R282 PolarHBondContact N-O 3.25Å; S274-R282 PolarHBondContact O-N 2.89Å; S274-W284 PolarHBondContact OG-NE1 2.97Å
275	A	96.4	Very high	95.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	151.3	178.3	0	0	0	0	0	113	N261 S262 L281 V304 I307	N261-A275 PolarHBondContact N-O 2.88Å; S262-A275 PolarHBondContact N-O 2.79Å; S262-A275 PolarHBondContact O-N 3.47Å; A275-L281 HydrophobicContact CB-CB 4.17Å; A275-L281 HydrophobicContact CB-CG 4.05Å; A275-V304 HydrophobicContact CB-CB 3.6Å; A275-V304 HydrophobicContact CB-CG1 3.43Å; A275-V304 VanDerWaalsContact CB-CG1 3.43Å; A275-V304 HydrophobicContact CB-CG2 4.35Å; A275-I307 HydrophobicContact CB-CG2 3.46Å; A275-I307 VanDerWaalsContact CB-CG2 3.46Å
276	G	94.5	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	-156.5	-171	0	0	0	0	0	116	N256 E259 D278 R279 A303 V304	N256-G276 PolarHBondContact ND2-N 3.02Å; E259-G276 CarbonylContact O-C 3.59Å; E259-G276 WeakPolarHBondContact O-CA 3.43Å; G276-D278 VanDerWaalsContact C-N 3.29Å; G276-D278 PolarHBondContact O-N 2.98Å; G276-R279 PolarHBondContact O-N 3.18Å; G276-A303 WeakPolarHBondContact O-CA 3.4Å; G276-V304 PolarHBondContact O-N 3.11Å
277	F	96	Very high	94.8	Very high	96 Å²	96	36 Å²	36	42%	0.421	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-12.6	-173.7	-86.1	-103.7	0	0	0	114.8	N258 E259 N261 R279 A303	N258-F277 HydrophobicContact CB-CB 3.77Å; E259-F277 HydrophobicContact CB-CB 4.24Å; E259-F277 HydrophobicContact CB-CD2 3.51Å; E259-F277 HydrophobicContact CB-CE2 4.07Å; E259-F277 HydrophobicContact CB-CG 4.07Å; E259-F277 PolarHBondContact O-N 2.78Å; N261-F277 WeakPolarHBondContact OD1-CE2 3.36Å; F277-R279 PolarHBondContact O-N 3.11Å; F277-A303 HydrophobicContact CB-CB 4.31Å; F277-A303 HydrophobicContact CD1-CB 3.8Å; F277-A303 HydrophobicContact CD2-CB 4.04Å; F277-A303 HydrophobicContact CE1-CB 4.12Å; F277-A303 HydrophobicContact CE2-CB 4.37Å; F277-A303 HydrophobicContact CG-CB 3.78Å; F277-A303 HydrophobicContact CZ-CB 4.41Å
278	D	95.2	Very high	94.3	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.059	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	1.7	171.2	68.1	-8.3	0	0	0	112.9	N256 E257 N258 G276 K280 R282	N256-D278 WeakPolarHBondContact CB-OD2 3.38Å; N256-D278 PolarHBondContact ND2-OD1 2.78Å; N256-D278 PolarHBondContact ND2-OD2 3.16Å; E257-D278 HydrophobicContact CB-CB 4.05Å; E257-D278 PolarHBondContact N-OD2 2.83Å; E257-D278 VanDerWaalsContact N-OD2 3.08Å; N258-D278 HydrophobicContact CB-CB 4.34Å; G276-D278 VanDerWaalsContact C-N 3.29Å; G276-D278 PolarHBondContact O-N 2.98Å; D278-K280 PolarHBondContact O-N 2.99Å; D278-K280 PolarHBondContact OD1-N 3.01Å; D278-R282 IonicContact OD1-NH1 3.03Å; D278-R282 IonicContact OD2-CZ 3.92Å; D278-R282 VanDerWaalsContact OD2-CZ 3.26Å; D278-R282 IonicContact OD2-NH1 2.87Å; D278-R282 PolarHBondContact OD2-NH1 3.48Å; D278-R282 IonicContact OD2-NH2 3.56Å; D278-R282 PolarHBondContact OD2-NH2 2.67Å
279	R	95.8	Very high	93.8	Very high	138 Å²	138	40 Å²	40	52%	0.521	20%	0.197	S	C	.	.	S	Bend	trans	68.2	14.4	175.5	-42.8	174.4	-75.2	-172.9	-2.3	113.6	G276 F277 N301 A302	G276-R279 PolarHBondContact O-N 3.18Å; F277-R279 PolarHBondContact O-N 3.11Å; R279-N301 WeakPolarHBondContact CD-O 3.44Å; R279-A302 WeakPolarHBondContact CB-O 3.29Å; R279-A302 WeakPolarHBondContact CG-O 3.23Å
280	K	95.3	Very high	93.5	Very high	60 Å²	60	47 Å²	47	26%	0.261	23%	0.227	S	C	.	.			trans	-113.9	147.8	-178.8	-61	172.2	-170.7	171.1	0	109.8	N256 E257 D278 T296 V298	N256-K280 PolarHBondContact ND2-O 3.43Å; E257-K280 IonicContact OE1-NZ 3.32Å; E257-K280 PolarHBondContact OE1-NZ 3.03Å; E257-K280 IonicContact OE2-NZ 3.74Å; D278-K280 PolarHBondContact O-N 2.99Å; D278-K280 PolarHBondContact OD1-N 3.01Å; K280-T296 HydrophobicContact CB-CG2 4.15Å; K280-T296 HydrophobicContact CD-CG2 4.03Å; K280-T296 HydrophobicContact CG-CG2 4.3Å; K280-V298 HydrophobicContact CG-CG1 4.35Å
281	L	96.9	Very high	93.5	Very high	2 Å²	2	43 Å²	43	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	118.7	166.7	-171.6	169.3	0	0	0	107.3	S274 A275 L283 L297 I307 V316 W328	S274-L281 CarbonylContact O-C 3.47Å; S274-L281 WeakPolarHBondContact O-CA 3.45Å; A275-L281 HydrophobicContact CB-CB 4.17Å; A275-L281 HydrophobicContact CB-CG 4.05Å; L281-L283 HydrophobicContact CD2-CD2 3.54Å; L281-L283 HydrophobicContact CD2-CG 4.19Å; L281-L297 HydrophobicContact CB-CB 4.22Å; L281-L297 HydrophobicContact CD2-CD1 3.84Å; L281-L297 HydrophobicContact CD2-CG 4.39Å; L281-L297 PolarHBondContact N-O 3.35Å; L281-L297 WeakPolarHBondContact O-CB 3.4Å; L281-L297 PolarHBondContact O-N 3.3Å; L281-I307 HydrophobicContact CD1-CB 4.31Å; L281-I307 HydrophobicContact CD1-CG2 3.47Å; L281-I307 VanDerWaalsContact CD1-CG2 3.47Å; L281-I307 HydrophobicContact CG-CG2 3.94Å; L281-V316 HydrophobicContact CD1-CG2 3.72Å; L281-V316 HydrophobicContact CD2-CG2 4.3Å; L281-W328 HydrophobicContact CD1-CZ3 4.28Å
282	R	96.8	Very high	93.4	Very high	19 Å²	19	47.7 Å²	47.7	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.2	177.5	-69.3	-176.3	-169.6	71.2	-0.7	109.8	A255 N256 E257 G273 S274 D278 W284 S295 T296	A255-R282 WeakPolarHBondContact O-CD 3.22Å; A255-R282 PolarHBondContact O-NH1 2.72Å; N256-R282 PolarHBondContact ND2-NH1 3.45Å; E257-R282 IonicContact OE1-NH2 2.71Å; E257-R282 PolarHBondContact OE1-NH2 3.3Å; G273-R282 CarbonylContact C-O 3.57Å; G273-R282 VanDerWaalsContact CA-O 3.28Å; G273-R282 WeakPolarHBondContact CA-O 3.39Å; S274-R282 PolarHBondContact N-O 3.25Å; S274-R282 PolarHBondContact O-N 2.89Å; D278-R282 IonicContact OD1-NH1 3.03Å; D278-R282 IonicContact OD2-CZ 3.92Å; D278-R282 VanDerWaalsContact OD2-CZ 3.26Å; D278-R282 IonicContact OD2-NH1 2.87Å; D278-R282 PolarHBondContact OD2-NH1 3.48Å; D278-R282 IonicContact OD2-NH2 3.56Å; D278-R282 PolarHBondContact OD2-NH2 2.67Å; R282-W284 HydrophobicContact CB-CZ2 4.09Å; R282-S295 WeakPolarHBondContact CA-O 3.31Å; R282-T296 HydrophobicContact CG-CG2 4.12Å
283	L	97.2	Very high	93.2	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.4	170.7	-59.2	-176.3	0	0	0	108.5	I271 L281 H294 S295 L297 F309 L330	I271-L283 HydrophobicContact CG2-CB 4.07Å; L281-L283 HydrophobicContact CD2-CD2 3.54Å; L281-L283 HydrophobicContact CD2-CG 4.19Å; L283-H294 HydrophobicContact CB-CB 4.1Å; L283-H294 WeakPolarHBondContact O-CB 3.47Å; L283-H294 PolarHBondContact O-N 3.09Å; L283-S295 WeakPolarHBondContact CD1-OG 3.31Å; L283-S295 PolarHBondContact N-O 2.98Å; L283-S295 PolarHBondContact O-N 3.13Å; L283-L297 HydrophobicContact CD1-CD1 4.29Å; L283-L297 HydrophobicContact CG-CD1 4.32Å; L283-F309 HydrophobicContact CD2-CE1 3.81Å; L283-F309 HydrophobicContact CD2-CZ 3.85Å; L283-L330 HydrophobicContact CD1-CD2 3.37Å; L283-L330 HydrophobicContact CD2-CD2 4.35Å
284	W	96.7	Very high	93.1	Very high	15 Å²	15	56.6 Å²	56.6	6%	0.057	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123	-175.1	-58.3	88.9	0	0	0	109.4	I253 A255 I271 F272 S274 R282 E292 I293	I253-W284 HydrophobicContact CB-CZ3 4.42Å; I253-W284 HydrophobicContact CD1-CD2 3.69Å; I253-W284 HydrophobicContact CD1-CE3 3.88Å; I253-W284 HydrophobicContact CD1-CG 4.17Å; I253-W284 HydrophobicContact CD1-CH2 4.2Å; I253-W284 HydrophobicContact CD1-CZ2 4.05Å; I253-W284 HydrophobicContact CD1-CZ3 4.1Å; I253-W284 HydrophobicContact CG2-CZ3 4.44Å; A255-W284 WeakPolarHBondContact O-CZ2 3.41Å; I271-W284 CarbonylContact C-O 3.57Å; I271-W284 WeakPolarHBondContact CA-O 3.44Å; F272-W284 HydrophobicContact CD1-CB 3.96Å; F272-W284 HydrophobicContact CD2-CB 4.15Å; F272-W284 AromaticContact CD2-CD1 3.92Å; F272-W284 HydrophobicContact CD2-CG 4.3Å; F272-W284 HydrophobicContact CE1-CB 3.59Å; F272-W284 HydrophobicContact CE1-CG 4.34Å; F272-W284 HydrophobicContact CE2-CB 3.78Å; F272-W284 AromaticContact CE2-CD1 3.52Å; F272-W284 AromaticContact CE2-CG 3.71Å; F272-W284 HydrophobicContact CE2-CG 3.71Å; F272-W284 HydrophobicContact CG-CB 4.24Å; F272-W284 HydrophobicContact CZ-CB 3.5Å; F272-W284 VanDerWaalsContact CZ-CB 3.5Å; F272-W284 HydrophobicContact CZ-CD2 4.49Å; F272-W284 AromaticContact CZ-CG 3.75Å; F272-W284 HydrophobicContact CZ-CG 3.75Å; F272-W284 PolarHBondContact N-O 3.43Å; F272-W284 PolarHBondContact O-N 3.43Å; S274-W284 PolarHBondContact OG-NE1 2.97Å; R282-W284 HydrophobicContact CB-CZ2 4.09Å; W284-E292 CarbonylContact C-O 3.59Å; W284-E292 VanDerWaalsContact CA-O 3.28Å; W284-E292 WeakPolarHBondContact CA-O 3.5Å; W284-I293 HydrophobicContact CD2-CG1 4.23Å; W284-I293 HydrophobicContact CE3-CB 4.49Å; W284-I293 HydrophobicContact CE3-CG1 3.58Å; W284-I293 HydrophobicContact CH2-CD1 3.71Å; W284-I293 HydrophobicContact CH2-CG1 3.46Å; W284-I293 VanDerWaalsContact CH2-CG1 3.46Å; W284-I293 HydrophobicContact CZ2-CD1 4.38Å; W284-I293 HydrophobicContact CZ2-CG1 4.09Å; W284-I293 HydrophobicContact CZ3-CB 4.45Å; W284-I293 HydrophobicContact CZ3-CD1 3.89Å; W284-I293 HydrophobicContact CZ3-CG1 3.18Å
285	T	94.9	Very high	93	Very high	48 Å²	48	57.3 Å²	57.3	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	123.5	170.4	-55.4	0	0	0	0	108.3	C291 E292	T285-C291 WeakPolarHBondContact O-CA 3.36Å; T285-E292 PolarHBondContact N-O 3.42Å; T285-E292 PolarHBondContact O-N 3.32Å
286	Y	91	Very high	93	Very high	20 Å²	20	60.2 Å²	60.2	8%	0.078	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	110.1	174.2	176.6	-113.7	0	0	0	109.9	A250 V251 F265 H270 K290 S527 V539	A250-Y286 HydrophobicContact CB-CE2 4.43Å; V251-Y286 HydrophobicContact CG2-CE2 4.25Å; F265-Y286 HydrophobicContact CE1-CD1 4.17Å; F265-Y286 HydrophobicContact CZ-CD1 4.47Å; H270-Y286 PolarHBondContact O-N 2.98Å; Y286-K290 WeakPolarHBondContact CA-O 3.31Å; Y286-S527 PolarHBondContact OH-OG 3.15Å; Y286-V539 HydrophobicContact CD1-CG1 4.32Å; Y286-V539 HydrophobicContact CD2-CB 4.45Å; Y286-V539 HydrophobicContact CD2-CG1 4.08Å; Y286-V539 HydrophobicContact CD2-CG2 4.36Å; Y286-V539 HydrophobicContact CE1-CG1 3.84Å; Y286-V539 HydrophobicContact CE2-CB 4.1Å; Y286-V539 HydrophobicContact CE2-CG1 3.58Å; Y286-V539 HydrophobicContact CG-CG1 4.42Å; Y286-V539 VanDerWaalsContact CZ-CG1 3.43Å
287	L	86.7	Confident	93.1	Very high	101 Å²	101	60.4 Å²	60.4	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	127.8	177.2	-163.8	75.3	0	0	0	109.8	G289 K290	L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.11Å; L287-K290 PolarHBondContact N-O 2.97Å; L287-K290 VanDerWaalsContact N-O 3.08Å; L287-K290 PolarHBondContact O-N 3.29Å
288	N	82.6	Confident	93.1	Very high	153 Å²	153	60.2 Å²	60.2	82%	0.818	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	46.3	172.6	-60.4	-14.9	0	0	0	114.4	K290	N288-K290 PolarHBondContact O-N 3.4Å
289	G	82.5	Confident	92.9	Very high	31 Å²	31	61.2 Å²	61.2	32%	0.32	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	15.7	178.3	0	0	0	0	0	114.4	V251 L287	V251-G289 VanDerWaalsContact CG2-C 3.48Å; V251-G289 WeakPolarHBondContact CG2-O 3.24Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.11Å
290	K	87.1	Confident	92.9	Very high	150 Å²	150	55.1 Å²	55.1	65%	0.652	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	144	168.9	-67.7	-175.3	179.1	-179	0	110	Y286 L287 N288	Y286-K290 WeakPolarHBondContact CA-O 3.31Å; L287-K290 PolarHBondContact N-O 2.97Å; L287-K290 VanDerWaalsContact N-O 3.08Å; L287-K290 PolarHBondContact O-N 3.29Å; N288-K290 PolarHBondContact O-N 3.4Å
291	C	91	Very high	92.9	Very high	23 Å²	23	58 Å²	58	16%	0.155	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	122.7	179.5	-164.9	0	0	0	0	109.1	V251 I253 F272 T285	V251-C291 HydrophobicContact CB-CB 4.29Å; V251-C291 HydrophobicContact CG1-CB 3.75Å; V251-C291 HydrophobicContact CG2-CB 4.32Å; I253-C291 HydrophobicContact CG2-CB 3.86Å; F272-C291 VanDerWaalsContact CE1-SG 3.54Å; F272-C291 VanDerWaalsContact CZ-SG 3.53Å; T285-C291 WeakPolarHBondContact O-CA 3.36Å
292	E	93.4	Very high	92.9	Very high	134 Å²	134	59.2 Å²	59.2	63%	0.626	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.4	179.5	-67.1	-178.9	-180	0	0	110	W284 T285 H294	W284-E292 CarbonylContact C-O 3.59Å; W284-E292 VanDerWaalsContact CA-O 3.28Å; W284-E292 WeakPolarHBondContact CA-O 3.5Å; T285-E292 PolarHBondContact N-O 3.42Å; T285-E292 PolarHBondContact O-N 3.32Å; E292-H294 PolarHBondContact O-N 3.21Å
293	I	93.9	Very high	93	Very high	93 Å²	93	58.8 Å²	58.8	48%	0.477	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	116.6	174.1	-67.1	175.4	0	0	0	107.9	W284	W284-I293 HydrophobicContact CD2-CG1 4.23Å; W284-I293 HydrophobicContact CE3-CB 4.49Å; W284-I293 HydrophobicContact CE3-CG1 3.58Å; W284-I293 HydrophobicContact CH2-CD1 3.71Å; W284-I293 HydrophobicContact CH2-CG1 3.46Å; W284-I293 VanDerWaalsContact CH2-CG1 3.46Å; W284-I293 HydrophobicContact CZ2-CD1 4.38Å; W284-I293 HydrophobicContact CZ2-CG1 4.09Å; W284-I293 HydrophobicContact CZ3-CB 4.45Å; W284-I293 HydrophobicContact CZ3-CD1 3.89Å; W284-I293 HydrophobicContact CZ3-CG1 3.18Å
294	H	93.1	Very high	93	Very high	94 Å²	94	58.8 Å²	58.8	44%	0.435	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-52.8	172	-177.9	81.6	0	0	0	110.5	L283 E292	L283-H294 HydrophobicContact CB-CB 4.1Å; L283-H294 WeakPolarHBondContact O-CB 3.47Å; L283-H294 PolarHBondContact O-N 3.09Å; E292-H294 PolarHBondContact O-N 3.21Å
295	S	95.6	Very high	93	Very high	16 Å²	16	59 Å²	59	11%	0.112	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	163.4	177.9	71.4	0	0	0	0	112.4	R282 L283 S333	R282-S295 WeakPolarHBondContact CA-O 3.31Å; L283-S295 WeakPolarHBondContact CD1-OG 3.31Å; L283-S295 PolarHBondContact N-O 2.98Å; L283-S295 PolarHBondContact O-N 3.13Å; S295-S333 WeakPolarHBondContact CB-OG 3.46Å; S295-S333 PolarHBondContact OG-OG 3.28Å
296	T	96.3	Very high	93.1	Very high	61 Å²	61	56.8 Å²	56.8	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	115	174.5	-60.6	0	0	0	0	109	K280 R282 V298	K280-T296 HydrophobicContact CB-CG2 4.15Å; K280-T296 HydrophobicContact CD-CG2 4.03Å; K280-T296 HydrophobicContact CG-CG2 4.3Å; R282-T296 HydrophobicContact CG-CG2 4.12Å; T296-V298 HydrophobicContact CG2-CG1 4.36Å
297	L	97.1	Very high	93.4	Very high	3 Å²	3	56 Å²	56	2%	0.016	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.7	-179.5	-46.8	-179.5	0	0	0	109.3	L281 L283 V316 W328 S333	L281-L297 HydrophobicContact CB-CB 4.22Å; L281-L297 HydrophobicContact CD2-CD1 3.84Å; L281-L297 HydrophobicContact CD2-CG 4.39Å; L281-L297 PolarHBondContact N-O 3.35Å; L281-L297 WeakPolarHBondContact O-CB 3.4Å; L281-L297 PolarHBondContact O-N 3.3Å; L283-L297 HydrophobicContact CD1-CD1 4.29Å; L283-L297 HydrophobicContact CG-CD1 4.32Å; L297-V316 HydrophobicContact CD1-CG1 3.25Å; L297-W328 HydrophobicContact CB-CD2 4.15Å; L297-W328 HydrophobicContact CB-CG 4.12Å; L297-W328 HydrophobicContact CD1-CB 3.83Å; L297-W328 HydrophobicContact CD1-CD2 4.11Å; L297-W328 HydrophobicContact CD1-CE3 4.38Å; L297-W328 HydrophobicContact CD1-CG 3.88Å; L297-W328 HydrophobicContact CD2-CB 4.44Å; L297-W328 HydrophobicContact CD2-CG 4.45Å; L297-W328 HydrophobicContact CG-CG 4.38Å; L297-S333 VanDerWaalsContact CD2-CB 3.49Å
298	V	95	Very high	94	Very high	92 Å²	92	51.8 Å²	51.8	56%	0.558	29%	0.291	S	S	*	.			trans	-118.6	161.2	-178.7	-63.3	0	0	0	0	110.3	K280 T296 W328	K280-V298 HydrophobicContact CG-CG1 4.35Å; T296-V298 HydrophobicContact CG2-CG1 4.36Å; V298-W328 PolarHBondContact O-NE1 3.38Å
299	G	92.9	Very high	94.7	Very high	32 Å²	32	45 Å²	45	33%	0.33	25%	0.254	S	S	.	.			trans	138.3	-21.9	175.6	0	0	0	0	0	113.9	R326	G299-R326 PolarHBondContact O-NE 2.82Å; G299-R326 PolarHBondContact O-NH2 2.97Å
300	C	95.1	Very high	95.3	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.068	24%	0.239	C	C	.	.			trans	-69.6	135.4	174.5	-65.5	0	0	0	0	111.5	V304	C300-V304 HydrophobicContact CB-CG2 4.03Å
301	N	95.7	Very high	95.7	Very high	121 Å²	121	39.7 Å²	39.7	65%	0.647	23%	0.23	S	C	*	.	S	Bend	trans	-90.6	-12.4	-179.8	-66.1	-33.7	0	0	0	112.7	R279 D322	R279-N301 WeakPolarHBondContact CD-O 3.44Å; N301-D322 HydrophobicContact CB-CB 3.93Å; N301-D322 WeakPolarHBondContact CB-OD2 3.31Å; N301-D322 PolarHBondContact N-OD2 3.38Å
302	A	97.3	Very high	95.8	Very high	28 Å²	28	44.1 Å²	44.1	23%	0.231	25%	0.252	C	S	.	.	S	Bend	trans	-141.3	-174.7	175.8	0	0	0	0	0	110.9	R279 V304 D322	R279-A302 WeakPolarHBondContact CB-O 3.29Å; R279-A302 WeakPolarHBondContact CG-O 3.23Å; A302-V304 PolarHBondContact O-N 2.67Å; A302-D322 HydrophobicContact CB-CB 3.88Å
303	A	97	Very high	95.9	Very high	9 Å²	9	40.4 Å²	40.4	7%	0.074	23%	0.234	C	C	.	.			trans	-56.7	133.3	-176.8	0	0	0	0	0	112	G276 F277 S320 S321	G276-A303 WeakPolarHBondContact O-CA 3.4Å; F277-A303 HydrophobicContact CB-CB 4.31Å; F277-A303 HydrophobicContact CD1-CB 3.8Å; F277-A303 HydrophobicContact CD2-CB 4.04Å; F277-A303 HydrophobicContact CE1-CB 4.12Å; F277-A303 HydrophobicContact CE2-CB 4.37Å; F277-A303 HydrophobicContact CG-CB 3.78Å; F277-A303 HydrophobicContact CZ-CB 4.41Å; A303-S320 WeakPolarHBondContact O-CA 3.45Å; A303-S321 PolarHBondContact O-N 2.9Å; A303-S321 PolarHBondContact O-OG 3.18Å
304	V	97.9	Very high	96	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.8	171.9	-171.4	0	0	0	0	107.9	N261 A275 G276 C300 A302 I307 A319	N261-V304 WeakPolarHBondContact CB-O 3.12Å; N261-V304 PolarHBondContact ND2-O 2.87Å; A275-V304 HydrophobicContact CB-CB 3.6Å; A275-V304 HydrophobicContact CB-CG1 3.43Å; A275-V304 VanDerWaalsContact CB-CG1 3.43Å; A275-V304 HydrophobicContact CB-CG2 4.35Å; G276-V304 PolarHBondContact O-N 3.11Å; C300-V304 HydrophobicContact CB-CG2 4.03Å; A302-V304 PolarHBondContact O-N 2.67Å; V304-I307 HydrophobicContact CG1-CG2 4.24Å; V304-A319 CarbonylContact C-O 3.59Å; V304-A319 VanDerWaalsContact CA-O 3.26Å; V304-A319 WeakPolarHBondContact CA-O 3.38Å; V304-A319 VanDerWaalsContact CG1-O 3.23Å; V304-A319 WeakPolarHBondContact CG1-O 3.48Å
305	T	97.2	Very high	96.2	Very high	21 Å²	21	34.4 Å²	34.4	13%	0.129	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	-31.9	-169	52.6	0	0	0	0	113.1	A319 S321 V346	T305-A319 PolarHBondContact N-O 3.21Å; T305-A319 VanDerWaalsContact OG1-C 3.31Å; T305-A319 VanDerWaalsContact OG1-CB 3.29Å; T305-A319 WeakPolarHBondContact OG1-CB 3.39Å; T305-A319 PolarHBondContact OG1-O 3.05Å; T305-S321 VanDerWaalsContact CG2-OG 3.28Å; T305-S321 WeakPolarHBondContact CG2-OG 3.37Å; T305-V346 WeakPolarHBondContact CB-O 3.41Å; T305-V346 WeakPolarHBondContact CG2-O 3.33Å; T305-V346 PolarHBondContact OG1-O 2.92Å
306	A	97.2	Very high	96.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	153.3	179.3	0	0	0	0	0	110.8	G318 A319	A306-G318 WeakPolarHBondContact O-CA 3.05Å; A306-A319 HydrophobicContact CB-CB 4.17Å; A306-A319 PolarHBondContact O-N 3.13Å
307	I	97.6	Very high	96.3	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.5	175.1	61.6	174.1	0	0	0	112.1	S262 R264 G273 A275 L281 V304 F309 L317	S262-I307 PolarHBondContact OG-N 3.47Å; R264-I307 HydrophobicContact CB-CD1 3.77Å; R264-I307 HydrophobicContact CB-CG1 3.8Å; G273-I307 WeakPolarHBondContact O-CD1 3.15Å; A275-I307 HydrophobicContact CB-CG2 3.46Å; A275-I307 VanDerWaalsContact CB-CG2 3.46Å; L281-I307 HydrophobicContact CD1-CB 4.31Å; L281-I307 HydrophobicContact CD1-CG2 3.47Å; L281-I307 VanDerWaalsContact CD1-CG2 3.47Å; L281-I307 HydrophobicContact CG-CG2 3.94Å; V304-I307 HydrophobicContact CG1-CG2 4.24Å; I307-F309 HydrophobicContact CD1-CE2 4.48Å; I307-L317 VanDerWaalsContact CA-O 3.28Å; I307-L317 WeakPolarHBondContact CA-O 3.4Å
308	D	98	Very high	96.4	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.9	171.9	-163.2	28.6	0	0	0	111.8	R264 V316 L317 K350 F351	R264-D308 IonicContact CZ-OD1 3.37Å; R264-D308 IonicContact NE-OD1 3.26Å; R264-D308 IonicContact NH1-OD1 3.8Å; R264-D308 PolarHBondContact NH1-OD1 3.5Å; R264-D308 IonicContact NH2-OD1 3.59Å; D308-V316 WeakPolarHBondContact O-CA 3.24Å; D308-V316 WeakPolarHBondContact O-CG2 3.24Å; D308-L317 HydrophobicContact CB-CB 4.34Å; D308-L317 HydrophobicContact CB-CD2 4.31Å; D308-L317 PolarHBondContact N-O 3.31Å; D308-L317 PolarHBondContact O-N 2.95Å; D308-K350 HydrophobicContact CB-CD 4.16Å; D308-K350 WeakPolarHBondContact OD2-CA 3.49Å; D308-K350 WeakPolarHBondContact OD2-CD 3.49Å; D308-F351 HydrophobicContact CB-CD2 4.29Å; D308-F351 PolarHBondContact OD2-N 2.99Å
309	F	97.9	Very high	96.5	Very high	11 Å²	11	26.2 Å²	26.2	5%	0.048	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.7	176.5	-65.4	-78.6	0	0	0	109.4	R264 F265 T266 L283 I307 V316 L330	R264-F309 HydrophobicContact CB-CD2 4.35Å; R264-F309 HydrophobicContact CB-CE2 4.07Å; R264-F309 HydrophobicContact CG-CD2 4.21Å; R264-F309 HydrophobicContact CG-CE2 4.41Å; R264-F309 VanDerWaalsContact O-CE2 3.25Å; R264-F309 WeakPolarHBondContact O-CE2 3.26Å; F265-F309 WeakPolarHBondContact O-CD2 3.44Å; T266-F309 HydrophobicContact CG2-CD1 3.72Å; T266-F309 HydrophobicContact CG2-CD2 4.12Å; T266-F309 HydrophobicContact CG2-CE1 3.7Å; T266-F309 HydrophobicContact CG2-CE2 4.15Å; T266-F309 HydrophobicContact CG2-CG 3.91Å; T266-F309 HydrophobicContact CG2-CZ 3.92Å; L283-F309 HydrophobicContact CD2-CE1 3.81Å; L283-F309 HydrophobicContact CD2-CZ 3.85Å; I307-F309 HydrophobicContact CD1-CE2 4.48Å; F309-V316 HydrophobicContact CD1-CB 3.72Å; F309-V316 HydrophobicContact CD1-CG2 3.75Å; F309-V316 HydrophobicContact CE1-CB 3.63Å; F309-V316 HydrophobicContact CE1-CG2 3.41Å; F309-V316 VanDerWaalsContact CE1-CG2 3.41Å; F309-V316 HydrophobicContact CZ-CG2 3.93Å; F309-L330 HydrophobicContact CD1-CD1 4.08Å; F309-L330 HydrophobicContact CD1-CD2 4.31Å; F309-L330 HydrophobicContact CE1-CD2 4.03Å
310	D	95.9	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.143	C	C	.	.			trans	-72.1	154.5	173.7	77.3	-58	0	0	0	110.4	N312 E313 T314 A315 F351 A355	D310-N312 PolarHBondContact O-N 3.38Å; D310-N312 VanDerWaalsContact O-N 3.09Å; D310-N312 WeakPolarHBondContact OD2-CB 3.27Å; D310-N312 PolarHBondContact OD2-N 2.77Å; D310-E313 PolarHBondContact O-N 3.33Å; D310-E313 VanDerWaalsContact O-N 3.08Å; D310-E313 WeakPolarHBondContact OD1-CA 3.4Å; D310-E313 PolarHBondContact OD1-N 2.89Å; D310-T314 PolarHBondContact OD1-N 3.02Å; D310-T314 PolarHBondContact OD2-N 3.5Å; D310-T314 PolarHBondContact OD2-OG1 2.91Å; D310-A315 PolarHBondContact N-O 3.41Å; D310-A315 PolarHBondContact OD1-N 3.26Å; D310-F351 HydrophobicContact CB-CD1 4.28Å; D310-F351 HydrophobicContact CB-CD2 3.91Å; D310-F351 HydrophobicContact CB-CE1 4.43Å; D310-F351 HydrophobicContact CB-CE2 4.03Å; D310-F351 HydrophobicContact CB-CG 4.01Å; D310-F351 HydrophobicContact CB-CZ 4.29Å; D310-F351 VanDerWaalsContact N-CD2 3.28Å; D310-A355 HydrophobicContact CB-CB 3.94Å
311	P	93.9	Very high	96.9	Very high	70 Å²	70	25.7 Å²	25.7	46%	0.455	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.3	-178.1	-26.2	35.8	0	0	0	114.8
312	N	94.7	Very high	97	Very high	116 Å²	116	21.6 Å²	21.6	62%	0.62	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	3.8	-178.6	-58.3	-46.6	0	0	0	113.2	D310 T314	D310-N312 PolarHBondContact O-N 3.38Å; D310-N312 VanDerWaalsContact O-N 3.09Å; D310-N312 WeakPolarHBondContact OD2-CB 3.27Å; D310-N312 PolarHBondContact OD2-N 2.77Å; N312-T314 HydrophobicContact CB-CG2 3.9Å; N312-T314 PolarHBondContact O-N 3.48Å
313	E	94.5	Very high	97	Very high	56 Å²	56	24.5 Å²	24.5	26%	0.262	14%	0.135	S	C	.	.	S	Bend	trans	54	36.4	-177.8	-42.1	-157.3	127.7	0	0	113.9	T266 P267 S268 D310 L330	T266-E313 WeakPolarHBondContact CB-OE1 3.47Å; T266-E313 PolarHBondContact OG1-OE1 2.82Å; P267-E313 HydrophobicContact CB-CG 4.17Å; P267-E313 WeakPolarHBondContact CD-OE1 3.21Å; P267-E313 HydrophobicContact CG-CG 4.08Å; S268-E313 VanDerWaalsContact CB-OE1 3.25Å; S268-E313 WeakPolarHBondContact CB-OE1 3.43Å; S268-E313 VanDerWaalsContact CB-OE2 3.22Å; S268-E313 WeakPolarHBondContact CB-OE2 3.33Å; S268-E313 PolarHBondContact N-OE1 2.57Å; S268-E313 PolarHBondContact OG-OE1 2.88Å; S268-E313 PolarHBondContact OG-OE2 3.35Å; D310-E313 PolarHBondContact O-N 3.33Å; D310-E313 VanDerWaalsContact O-N 3.08Å; D310-E313 WeakPolarHBondContact OD1-CA 3.4Å; D310-E313 PolarHBondContact OD1-N 2.89Å; E313-L330 VanDerWaalsContact C-CD1 3.45Å; E313-L330 HydrophobicContact CB-CD1 4.29Å; E313-L330 VanDerWaalsContact O-CD1 3.27Å; E313-L330 WeakPolarHBondContact O-CD1 3.35Å
314	T	95.7	Very high	97	Very high	60 Å²	60	24.2 Å²	24.2	37%	0.368	13%	0.133	S	C	.	.	S	Bend	trans	-95.9	-25.6	177.5	65.3	0	0	0	0	112.7	D310 N312 T329 L330	D310-T314 PolarHBondContact OD1-N 3.02Å; D310-T314 PolarHBondContact OD2-N 3.5Å; D310-T314 PolarHBondContact OD2-OG1 2.91Å; N312-T314 HydrophobicContact CB-CG2 3.9Å; N312-T314 PolarHBondContact O-N 3.48Å; T314-T329 WeakPolarHBondContact O-CA 3.12Å; T314-L330 PolarHBondContact O-N 3.29Å
315	A	96.7	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	153.6	-171.7	0	0	0	0	0	113	D310 V327 W328 F351 A355	D310-A315 PolarHBondContact N-O 3.41Å; D310-A315 PolarHBondContact OD1-N 3.26Å; A315-V327 HydrophobicContact CB-CG1 3.87Å; A315-W328 CarbonylContact C-O 3.52Å; A315-W328 WeakPolarHBondContact CA-O 3.35Å; A315-W328 WeakPolarHBondContact CB-O 3.49Å; A315-F351 HydrophobicContact CB-CZ 3.96Å; A315-A355 HydrophobicContact CB-CB 4.09Å
316	V	97.8	Very high	96.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138	171.9	58.3	0	0	0	0	109.7	L281 L297 D308 F309 V327 W328 L330	L281-V316 HydrophobicContact CD1-CG2 3.72Å; L281-V316 HydrophobicContact CD2-CG2 4.3Å; L297-V316 HydrophobicContact CD1-CG1 3.25Å; D308-V316 WeakPolarHBondContact O-CA 3.24Å; D308-V316 WeakPolarHBondContact O-CG2 3.24Å; F309-V316 HydrophobicContact CD1-CB 3.72Å; F309-V316 HydrophobicContact CD1-CG2 3.75Å; F309-V316 HydrophobicContact CE1-CB 3.63Å; F309-V316 HydrophobicContact CE1-CG2 3.41Å; F309-V316 VanDerWaalsContact CE1-CG2 3.41Å; F309-V316 HydrophobicContact CZ-CG2 3.93Å; V316-V327 CarbonylContact O-C 3.57Å; V316-V327 WeakPolarHBondContact O-CA 3.41Å; V316-W328 HydrophobicContact CG1-CB 3.9Å; V316-W328 HydrophobicContact CG1-CE3 4.36Å; V316-W328 PolarHBondContact N-O 3.01Å; V316-W328 PolarHBondContact O-N 3.48Å; V316-L330 HydrophobicContact CB-CD2 3.95Å; V316-L330 HydrophobicContact CB-CG 4.46Å; V316-L330 HydrophobicContact CG1-CD2 3.86Å
317	L	98.2	Very high	97	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.3	-179.6	172.7	66.6	0	0	0	109.2	I307 D308 C325 R326 V327 A349 F351 V358	I307-L317 VanDerWaalsContact CA-O 3.28Å; I307-L317 WeakPolarHBondContact CA-O 3.4Å; D308-L317 HydrophobicContact CB-CB 4.34Å; D308-L317 HydrophobicContact CB-CD2 4.31Å; D308-L317 PolarHBondContact N-O 3.31Å; D308-L317 PolarHBondContact O-N 2.95Å; L317-C325 HydrophobicContact CD1-CB 4.01Å; L317-R326 CarbonylContact C-O 3.58Å; L317-R326 WeakPolarHBondContact CA-O 3.49Å; L317-V327 HydrophobicContact CD1-CG2 3.85Å; L317-A349 HydrophobicContact CD1-CB 4.27Å; L317-A349 HydrophobicContact CD2-CB 3.6Å; L317-A349 HydrophobicContact CG-CB 3.9Å; L317-F351 HydrophobicContact CB-CD2 4.04Å; L317-F351 HydrophobicContact CB-CE1 4.41Å; L317-F351 HydrophobicContact CB-CE2 3.4Å; L317-F351 VanDerWaalsContact CB-CE2 3.4Å; L317-F351 HydrophobicContact CB-CZ 3.63Å; L317-F351 HydrophobicContact CD2-CD2 4.4Å; L317-F351 HydrophobicContact CD2-CE2 4.49Å; L317-V358 HydrophobicContact CD1-CG1 3.93Å; L317-V358 HydrophobicContact CD1-CG2 4.31Å; L317-V358 HydrophobicContact CD2-CB 4.46Å; L317-V358 HydrophobicContact CD2-CG1 3.56Å; L317-V358 HydrophobicContact CD2-CG2 4.07Å; L317-V358 HydrophobicContact CG-CG1 4.42Å
318	G	97.9	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	120.4	173.8	0	0	0	0	0	110.9	A306 C325 R326	A306-G318 WeakPolarHBondContact O-CA 3.05Å; G318-C325 CarbonylContact O-C 3.5Å; G318-C325 VanDerWaalsContact O-CA 3.31Å; G318-C325 WeakPolarHBondContact O-CA 3.24Å; G318-R326 PolarHBondContact N-O 3.41Å; G318-R326 PolarHBondContact O-N 2.91Å
319	A	98	Very high	96.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143	168.6	0	0	0	0	0	110.2	V304 T305 A306 C325 V346 A349	V304-A319 CarbonylContact C-O 3.59Å; V304-A319 VanDerWaalsContact CA-O 3.26Å; V304-A319 WeakPolarHBondContact CA-O 3.38Å; V304-A319 VanDerWaalsContact CG1-O 3.23Å; V304-A319 WeakPolarHBondContact CG1-O 3.48Å; T305-A319 PolarHBondContact N-O 3.21Å; T305-A319 VanDerWaalsContact OG1-C 3.31Å; T305-A319 VanDerWaalsContact OG1-CB 3.29Å; T305-A319 WeakPolarHBondContact OG1-CB 3.39Å; T305-A319 PolarHBondContact OG1-O 3.05Å; A306-A319 HydrophobicContact CB-CB 4.17Å; A306-A319 PolarHBondContact O-N 3.13Å; A319-C325 VanDerWaalsContact CA-SG 3.58Å; A319-V346 HydrophobicContact CB-CB 4.12Å; A319-V346 HydrophobicContact CB-CG1 3.94Å; A319-A349 HydrophobicContact CB-CB 3.85Å
320	S	98.1	Very high	96.7	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	151.6	-173.2	168.1	0	0	0	0	113.2	A303 D322 F323 S324 V346	A303-S320 WeakPolarHBondContact O-CA 3.45Å; S320-D322 WeakPolarHBondContact CB-OD1 3.33Å; S320-D322 PolarHBondContact O-N 3.5Å; S320-D322 PolarHBondContact OG-N 3.34Å; S320-D322 PolarHBondContact OG-OD1 3.47Å; S320-D322 PolarHBondContact OG-OD2 3.07Å; S320-F323 PolarHBondContact O-N 3.04Å; S320-S324 WeakPolarHBondContact CB-O 3.46Å; S320-S324 PolarHBondContact N-O 3.02Å; S320-V346 PolarHBondContact O-N 3.14Å
321	S	97.8	Very high	96.5	Very high	30 Å²	30	32 Å²	32	21%	0.21	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-4.2	175.4	-58.6	0	0	0	0	113.9	A303 T305 F323	A303-S321 PolarHBondContact O-N 2.9Å; A303-S321 PolarHBondContact O-OG 3.18Å; T305-S321 VanDerWaalsContact CG2-OG 3.28Å; T305-S321 WeakPolarHBondContact CG2-OG 3.37Å; S321-F323 VanDerWaalsContact O-CD1 3.31Å; S321-F323 WeakPolarHBondContact O-CD1 3.45Å; S321-F323 WeakPolarHBondContact O-CE1 3.5Å; S321-F323 PolarHBondContact O-N 3.47Å
322	D	97.4	Very high	96.5	Very high	35 Å²	35	32.7 Å²	32.7	19%	0.187	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	19.9	173.4	70.9	-6.7	0	0	0	112.9	N301 A302 S320 S324 R326	N301-D322 HydrophobicContact CB-CB 3.93Å; N301-D322 WeakPolarHBondContact CB-OD2 3.31Å; N301-D322 PolarHBondContact N-OD2 3.38Å; A302-D322 HydrophobicContact CB-CB 3.88Å; S320-D322 WeakPolarHBondContact CB-OD1 3.33Å; S320-D322 PolarHBondContact O-N 3.5Å; S320-D322 PolarHBondContact OG-N 3.34Å; S320-D322 PolarHBondContact OG-OD1 3.47Å; S320-D322 PolarHBondContact OG-OD2 3.07Å; D322-S324 VanDerWaalsContact CG-OG 3.27Å; D322-S324 PolarHBondContact O-N 3.17Å; D322-S324 PolarHBondContact OD1-N 2.99Å; D322-S324 PolarHBondContact OD1-OG 3.28Å; D322-S324 PolarHBondContact OD2-OG 3.15Å; D322-R326 IonicContact OD1-NH1 3.57Å; D322-R326 PolarHBondContact OD1-NH1 3.31Å; D322-R326 IonicContact OD2-CZ 2.7Å; D322-R326 VanDerWaalsContact OD2-CZ 3.31Å; D322-R326 IonicContact OD2-NH1 3.93Å; D322-R326 PolarHBondContact OD2-NH1 3.31Å; D322-R326 IonicContact OD2-NH2 3.52Å; D322-R326 PolarHBondContact OD2-NH2 3.5Å
323	F	97.6	Very high	96.4	Very high	89 Å²	89	29 Å²	29	39%	0.39	16%	0.157	S	C	.	.	S	Bend	trans	68.8	19.9	174.9	-40.6	-23.6	0	0	0	113.8	S320 S321 E344	S320-F323 PolarHBondContact O-N 3.04Å; S321-F323 VanDerWaalsContact O-CD1 3.31Å; S321-F323 WeakPolarHBondContact O-CD1 3.45Å; S321-F323 WeakPolarHBondContact O-CE1 3.5Å; S321-F323 PolarHBondContact O-N 3.47Å; F323-E344 WeakPolarHBondContact CA-O 3.42Å; F323-E344 WeakPolarHBondContact CD1-O 3.25Å
324	S	96.5	Very high	96.4	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.028	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163.4	-179.5	68.7	0	0	0	0	112.4	S320 D322 R326 N338 L339	S320-S324 WeakPolarHBondContact CB-O 3.46Å; S320-S324 PolarHBondContact N-O 3.02Å; D322-S324 VanDerWaalsContact CG-OG 3.27Å; D322-S324 PolarHBondContact O-N 3.17Å; D322-S324 PolarHBondContact OD1-N 2.99Å; D322-S324 PolarHBondContact OD1-OG 3.28Å; D322-S324 PolarHBondContact OD2-OG 3.15Å; S324-R326 PolarHBondContact OG-NH1 3.46Å; S324-N338 WeakPolarHBondContact CB-OD1 3.08Å; S324-N338 PolarHBondContact OG-OD1 3.08Å; S324-L339 VanDerWaalsContact CA-O 3.31Å; S324-L339 WeakPolarHBondContact CA-O 3.2Å; S324-L339 WeakPolarHBondContact CB-O 2.85Å
325	C	97.4	Very high	96.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	147.5	167.4	-73.5	0	0	0	0	109.9	L317 G318 A319 N338 L339 V346 T360	L317-C325 HydrophobicContact CD1-CB 4.01Å; G318-C325 CarbonylContact O-C 3.5Å; G318-C325 VanDerWaalsContact O-CA 3.31Å; G318-C325 WeakPolarHBondContact O-CA 3.24Å; A319-C325 VanDerWaalsContact CA-SG 3.58Å; C325-N338 PolarHBondContact O-OD1 3.48Å; C325-L339 HydrophobicContact CB-CB 4.16Å; C325-L339 HydrophobicContact CB-CD1 4.23Å; C325-L339 PolarHBondContact N-O 3.29Å; C325-L339 WeakPolarHBondContact O-CB 3.03Å; C325-L339 PolarHBondContact O-N 2.76Å; C325-V346 VanDerWaalsContact SG-CG1 3.51Å; C325-T360 HydrophobicContact CB-CG2 4.03Å; C325-T360 WeakPolarHBondContact SG-CG2 3.09Å
326	R	97.1	Very high	96.2	Very high	6 Å²	6	39.4 Å²	39.4	2%	0.023	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	142.1	178.3	-76.3	175.8	-170.9	73.7	-6.1	110.3	G299 L317 G318 D322 S324 W328 L335 V337 N338	G299-R326 PolarHBondContact O-NE 2.82Å; G299-R326 PolarHBondContact O-NH2 2.97Å; L317-R326 CarbonylContact C-O 3.58Å; L317-R326 WeakPolarHBondContact CA-O 3.49Å; G318-R326 PolarHBondContact N-O 3.41Å; G318-R326 PolarHBondContact O-N 2.91Å; D322-R326 IonicContact OD1-NH1 3.57Å; D322-R326 PolarHBondContact OD1-NH1 3.31Å; D322-R326 IonicContact OD2-CZ 2.7Å; D322-R326 VanDerWaalsContact OD2-CZ 3.31Å; D322-R326 IonicContact OD2-NH1 3.93Å; D322-R326 PolarHBondContact OD2-NH1 3.31Å; D322-R326 IonicContact OD2-NH2 3.52Å; D322-R326 PolarHBondContact OD2-NH2 3.5Å; S324-R326 PolarHBondContact OG-NH1 3.46Å; R326-W328 HydrophobicContact CB-CD2 4.34Å; R326-W328 HydrophobicContact CB-CE3 4.05Å; R326-W328 HydrophobicContact CB-CH2 3.27Å; R326-W328 HydrophobicContact CB-CZ2 3.57Å; R326-W328 HydrophobicContact CB-CZ3 3.51Å; R326-W328 HydrophobicContact CG-CH2 4.26Å; R326-W328 HydrophobicContact CG-CZ2 4.29Å; R326-W328 VanDerWaalsContact O-CZ3 3.25Å; R326-W328 WeakPolarHBondContact O-CZ3 3.18Å; R326-L335 HydrophobicContact CB-CD1 3.61Å; R326-L335 HydrophobicContact CG-CD1 3.71Å; R326-V337 WeakPolarHBondContact CA-O 3.34Å; R326-N338 HydrophobicContact CG-CB 4.38Å
327	V	97.6	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	122.2	173.7	-180	0	0	0	0	107	A315 V316 L317 R336 V337 L339 F351 V358 V372	A315-V327 HydrophobicContact CB-CG1 3.87Å; V316-V327 CarbonylContact O-C 3.57Å; V316-V327 WeakPolarHBondContact O-CA 3.41Å; L317-V327 HydrophobicContact CD1-CG2 3.85Å; V327-R336 WeakPolarHBondContact O-CA 3.37Å; V327-R336 VanDerWaalsContact O-CB 3.3Å; V327-R336 WeakPolarHBondContact O-CB 3.43Å; V327-R336 PolarHBondContact O-N 3.46Å; V327-V337 HydrophobicContact CB-CB 4.48Å; V327-V337 PolarHBondContact N-O 3.34Å; V327-V337 PolarHBondContact O-N 2.94Å; V327-L339 HydrophobicContact CG2-CD1 4.47Å; V327-F351 HydrophobicContact CG1-CE1 4.39Å; V327-F351 HydrophobicContact CG1-CZ 4.14Å; V327-V358 HydrophobicContact CG2-CG2 4.47Å; V327-V372 HydrophobicContact CG2-CG1 4.3Å
328	W	97.8	Very high	96	Very high	3 Å²	3	43.4 Å²	43.4	1%	0.011	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	147	172.2	-61.5	-103.1	0	0	0	110	L281 L297 V298 A315 V316 R326 R334 L335	L281-W328 HydrophobicContact CD1-CZ3 4.28Å; L297-W328 HydrophobicContact CB-CD2 4.15Å; L297-W328 HydrophobicContact CB-CG 4.12Å; L297-W328 HydrophobicContact CD1-CB 3.83Å; L297-W328 HydrophobicContact CD1-CD2 4.11Å; L297-W328 HydrophobicContact CD1-CE3 4.38Å; L297-W328 HydrophobicContact CD1-CG 3.88Å; L297-W328 HydrophobicContact CD2-CB 4.44Å; L297-W328 HydrophobicContact CD2-CG 4.45Å; L297-W328 HydrophobicContact CG-CG 4.38Å; V298-W328 PolarHBondContact O-NE1 3.38Å; A315-W328 CarbonylContact C-O 3.52Å; A315-W328 WeakPolarHBondContact CA-O 3.35Å; A315-W328 WeakPolarHBondContact CB-O 3.49Å; V316-W328 HydrophobicContact CG1-CB 3.9Å; V316-W328 HydrophobicContact CG1-CE3 4.36Å; V316-W328 PolarHBondContact N-O 3.01Å; V316-W328 PolarHBondContact O-N 3.48Å; R326-W328 HydrophobicContact CB-CD2 4.34Å; R326-W328 HydrophobicContact CB-CE3 4.05Å; R326-W328 HydrophobicContact CB-CH2 3.27Å; R326-W328 HydrophobicContact CB-CZ2 3.57Å; R326-W328 HydrophobicContact CB-CZ3 3.51Å; R326-W328 HydrophobicContact CG-CH2 4.26Å; R326-W328 HydrophobicContact CG-CZ2 4.29Å; R326-W328 VanDerWaalsContact O-CZ3 3.25Å; R326-W328 WeakPolarHBondContact O-CZ3 3.18Å; W328-R334 CarbonylContact C-O 3.54Å; W328-R334 WeakPolarHBondContact CA-O 3.48Å; W328-R334 WeakPolarHBondContact CB-O 3.41Å; W328-L335 VanDerWaalsContact CD1-CA 3.45Å; W328-L335 HydrophobicContact CD2-CD1 4.18Å; W328-L335 HydrophobicContact CG-CD1 4.33Å; W328-L335 HydrophobicContact CZ2-CD1 4.3Å
329	T	95.4	Very high	96	Very high	34 Å²	34	43.6 Å²	43.6	21%	0.209	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	133.8	169.2	35.1	0	0	0	0	110	T314 D332 S333 R334 R336	T314-T329 WeakPolarHBondContact O-CA 3.12Å; T329-D332 WeakPolarHBondContact CB-OD1 3.36Å; T329-D332 PolarHBondContact OG1-OD1 3.17Å; T329-S333 WeakPolarHBondContact O-CA 3.41Å; T329-S333 PolarHBondContact O-N 3.29Å; T329-R334 PolarHBondContact N-O 3.04Å; T329-R334 PolarHBondContact OG1-O 3.32Å; T329-R336 HydrophobicContact CG2-CB 4.28Å; T329-R336 HydrophobicContact CG2-CG 4.37Å
330	L	93.8	Very high	95.8	Very high	14 Å²	14	47.9 Å²	47.9	7%	0.073	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-42	-174.8	-77.6	173.4	0	0	0	112.5	L283 F309 E313 T314 V316 D332	L283-L330 HydrophobicContact CD1-CD2 3.37Å; L283-L330 HydrophobicContact CD2-CD2 4.35Å; F309-L330 HydrophobicContact CD1-CD1 4.08Å; F309-L330 HydrophobicContact CD1-CD2 4.31Å; F309-L330 HydrophobicContact CE1-CD2 4.03Å; E313-L330 VanDerWaalsContact C-CD1 3.45Å; E313-L330 HydrophobicContact CB-CD1 4.29Å; E313-L330 VanDerWaalsContact O-CD1 3.27Å; E313-L330 WeakPolarHBondContact O-CD1 3.35Å; T314-L330 PolarHBondContact O-N 3.29Å; V316-L330 HydrophobicContact CB-CD2 3.95Å; V316-L330 HydrophobicContact CB-CG 4.46Å; V316-L330 HydrophobicContact CG1-CD2 3.86Å; L330-D332 PolarHBondContact O-N 2.95Å
331	N	92.7	Very high	95.6	Very high	154 Å²	154	50.3 Å²	50.3	82%	0.824	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-34.2	-172.7	-68.8	-12.6	0	0	0	114.4
332	D	93.2	Very high	95.6	Very high	84 Å²	84	49.5 Å²	49.5	45%	0.449	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.3	1.3	-177.9	67.5	-8	0	0	0	112.8	T329 L330 R334	T329-D332 WeakPolarHBondContact CB-OD1 3.36Å; T329-D332 PolarHBondContact OG1-OD1 3.17Å; L330-D332 PolarHBondContact O-N 2.95Å; D332-R334 HydrophobicContact CB-CG 4.28Å; D332-R334 PolarHBondContact O-N 2.95Å; D332-R334 PolarHBondContact OD1-N 3.39Å; D332-R334 VanDerWaalsContact OD2-CD 3.29Å; D332-R334 WeakPolarHBondContact OD2-CD 3.44Å; D332-R334 WeakPolarHBondContact OD2-CG 3.1Å
333	S	93.8	Very high	95.5	Very high	37 Å²	37	51.8 Å²	51.8	26%	0.259	28%	0.279	S	S	.	.			trans	55.6	29.3	179.4	-65.2	0	0	0	0	114	S295 L297 T329	S295-S333 WeakPolarHBondContact CB-OG 3.46Å; S295-S333 PolarHBondContact OG-OG 3.28Å; L297-S333 VanDerWaalsContact CD2-CB 3.49Å; T329-S333 WeakPolarHBondContact O-CA 3.41Å; T329-S333 PolarHBondContact O-N 3.29Å
334	R	94.1	Very high	95.5	Very high	149 Å²	149	51.6 Å²	51.6	56%	0.562	28%	0.279	S	S	*	.			trans	-92.1	144.2	-179.1	-69.9	-169.2	172.5	172.9	-2.2	112.6	W328 T329 D332 R336	W328-R334 CarbonylContact C-O 3.54Å; W328-R334 WeakPolarHBondContact CA-O 3.48Å; W328-R334 WeakPolarHBondContact CB-O 3.41Å; T329-R334 PolarHBondContact N-O 3.04Å; T329-R334 PolarHBondContact OG1-O 3.32Å; D332-R334 HydrophobicContact CB-CG 4.28Å; D332-R334 PolarHBondContact O-N 2.95Å; D332-R334 PolarHBondContact OD1-N 3.39Å; D332-R334 VanDerWaalsContact OD2-CD 3.29Å; D332-R334 WeakPolarHBondContact OD2-CD 3.44Å; D332-R334 WeakPolarHBondContact OD2-CG 3.1Å; R334-R336 PolarHBondContact O-N 2.96Å
335	L	95.2	Very high	95.5	Very high	78 Å²	78	57.7 Å²	57.7	41%	0.408	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	113.1	170.9	177.9	61.7	0	0	0	109.1	R326 W328	R326-L335 HydrophobicContact CB-CD1 3.61Å; R326-L335 HydrophobicContact CG-CD1 3.71Å; W328-L335 VanDerWaalsContact CD1-CA 3.45Å; W328-L335 HydrophobicContact CD2-CD1 4.18Å; W328-L335 HydrophobicContact CG-CD1 4.33Å; W328-L335 HydrophobicContact CZ2-CD1 4.3Å
336	R	93.8	Very high	95.6	Very high	109 Å²	109	57.6 Å²	57.6	41%	0.411	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-49.8	-176.9	-169.2	-171.1	164.2	-174.6	-7.7	111.9	V327 T329 R334 D373	V327-R336 WeakPolarHBondContact O-CA 3.37Å; V327-R336 VanDerWaalsContact O-CB 3.3Å; V327-R336 WeakPolarHBondContact O-CB 3.43Å; V327-R336 PolarHBondContact O-N 3.46Å; T329-R336 HydrophobicContact CG2-CB 4.28Å; T329-R336 HydrophobicContact CG2-CG 4.37Å; R334-R336 PolarHBondContact O-N 2.96Å; R336-D373 IonicContact CZ-OD1 3.31Å; R336-D373 IonicContact NH2-OD1 2.92Å; R336-D373 PolarHBondContact NH2-OD1 3.05Å
337	V	94.8	Very high	95.6	Very high	13 Å²	13	58 Å²	58	8%	0.079	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	143.3	-176	-179.9	0	0	0	0	110.8	R326 V327 L339 V372	R326-V337 WeakPolarHBondContact CA-O 3.34Å; V327-V337 HydrophobicContact CB-CB 4.48Å; V327-V337 PolarHBondContact N-O 3.34Å; V327-V337 PolarHBondContact O-N 2.94Å; V337-L339 HydrophobicContact CG1-CD2 3.6Å; V337-L339 HydrophobicContact CG1-CG 4.08Å; V337-V372 HydrophobicContact CB-CG1 3.99Å; V337-V372 HydrophobicContact CG1-CG1 4.37Å; V337-V372 HydrophobicContact CG2-CG1 3.57Å
338	N	96.2	Very high	95.6	Very high	72 Å²	72	58 Å²	58	39%	0.385	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	109	167.4	-172.2	17.8	0	0	0	109.7	S324 C325 R326 T340	S324-N338 WeakPolarHBondContact CB-OD1 3.08Å; S324-N338 PolarHBondContact OG-OD1 3.08Å; C325-N338 PolarHBondContact O-OD1 3.48Å; R326-N338 HydrophobicContact CG-CB 4.38Å; N338-T340 PolarHBondContact O-N 3.01Å
339	L	96.7	Very high	95.6	Very high	4 Å²	4	57.9 Å²	57.9	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	99.8	-179.2	-58.3	173.8	0	0	0	109.3	S324 C325 V327 V337 V358 W370	S324-L339 VanDerWaalsContact CA-O 3.31Å; S324-L339 WeakPolarHBondContact CA-O 3.2Å; S324-L339 WeakPolarHBondContact CB-O 2.85Å; C325-L339 HydrophobicContact CB-CB 4.16Å; C325-L339 HydrophobicContact CB-CD1 4.23Å; C325-L339 PolarHBondContact N-O 3.29Å; C325-L339 WeakPolarHBondContact O-CB 3.03Å; C325-L339 PolarHBondContact O-N 2.76Å; V327-L339 HydrophobicContact CG2-CD1 4.47Å; V337-L339 HydrophobicContact CG1-CD2 3.6Å; V337-L339 HydrophobicContact CG1-CG 4.08Å; L339-V358 HydrophobicContact CD1-CB 4.17Å; L339-V358 HydrophobicContact CD1-CG1 4.04Å; L339-V358 HydrophobicContact CD1-CG2 4.48Å; L339-W370 HydrophobicContact CB-CD2 4.11Å; L339-W370 HydrophobicContact CB-CE3 4.14Å; L339-W370 HydrophobicContact CB-CZ3 4.38Å; L339-W370 HydrophobicContact CD1-CB 4.04Å; L339-W370 HydrophobicContact CD1-CD2 4.29Å; L339-W370 HydrophobicContact CD1-CG 3.9Å; L339-W370 HydrophobicContact CD2-CB 4.06Å; L339-W370 HydrophobicContact CD2-CD2 4.14Å; L339-W370 HydrophobicContact CD2-CE3 3.93Å; L339-W370 HydrophobicContact CD2-CG 4.21Å; L339-W370 HydrophobicContact CG-CD2 4.42Å; L339-W370 HydrophobicContact CG-CG 4.47Å
340	T	95.8	Very high	95.7	Very high	89 Å²	89	57 Å²	57	55%	0.546	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	149.7	-179.6	59.3	0	0	0	0	111.3	N338 W370	N338-T340 PolarHBondContact O-N 3.01Å; T340-W370 WeakPolarHBondContact O-CH2 3.32Å; T340-W370 WeakPolarHBondContact O-CZ3 3.14Å
341	G	93.6	Very high	95.9	Very high	51 Å²	51	56.9 Å²	56.9	53%	0.526	30%	0.295	S	S	.	.			trans	139	-0.9	177.1	0	0	0	0	0	115.4	K368	G341-K368 VanDerWaalsContact O-CE 3.22Å; G341-K368 WeakPolarHBondContact O-CE 3.32Å
342	H	97	Very high	95.9	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.065	26%	0.26	C	S	.	.			trans	-78.5	153.7	162.8	-78.8	-66.1	0	0	0	110.5	V346 T360 S362 D364 T366 K368	H342-V346 HydrophobicContact CB-CG2 4.27Å; H342-T360 PolarHBondContact NE2-OG1 3.07Å; H342-S362 WeakPolarHBondContact CE1-CB 2.98Å; H342-S362 WeakPolarHBondContact ND1-CB 3.24Å; H342-D364 WeakPolarHBondContact CA-OD2 3.27Å; H342-D364 VanDerWaalsContact CB-OD2 3.32Å; H342-D364 WeakPolarHBondContact CB-OD2 3.49Å; H342-D364 IonicContact CE1-OD2 3.47Å; H342-D364 IonicContact CG-OD2 3.39Å; H342-D364 IonicContact ND1-OD1 3.95Å; H342-D364 IonicContact ND1-OD2 3.52Å; H342-D364 PolarHBondContact ND1-OD2 3.29Å; H342-T366 PolarHBondContact CE1-OG1 3.19Å; H342-T366 VanDerWaalsContact CE1-OG1 3.27Å; H342-T366 PolarHBondContact ND1-OG1 2.89Å; H342-K368 VanDerWaalsContact CE1-CD 3.48Å; H342-K368 WeakPolarHBondContact CE1-CD 3.24Å
343	S	96.3	Very high	95.7	Very high	82 Å²	82	48.6 Å²	48.6	57%	0.573	26%	0.262	S	S	*	.	S	Bend	trans	-103.9	-3.5	178.8	61.8	0	0	0	0	113.5	D364	S343-D364 PolarHBondContact N-OD2 2.82Å; S343-D364 WeakPolarHBondContact OG-CB 3.44Å
344	E	97.4	Very high	95.6	Very high	85 Å²	85	48.4 Å²	48.4	40%	0.397	26%	0.261	S	S	.	.	S	Bend	trans	-144.2	175.7	178.5	-75.3	-68.4	164.6	0	0	109.8	F323 V346 S362 D364	F323-E344 WeakPolarHBondContact CA-O 3.42Å; F323-E344 WeakPolarHBondContact CD1-O 3.25Å; E344-V346 PolarHBondContact O-N 2.95Å; E344-S362 PolarHBondContact O-OG 3.32Å; E344-S362 VanDerWaalsContact O-OG 3.14Å; E344-D364 HydrophobicContact CB-CB 3.87Å; E344-D364 HydrophobicContact CG-CB 4.07Å
345	R	96.7	Very high	95.4	Very high	132 Å²	132	41.8 Å²	41.8	50%	0.498	24%	0.238	S	C	.	.			trans	-54.7	133.4	-178.1	66.1	-176.3	74.3	139.4	5.6	111.8	I347 S362 S363	R345-I347 HydrophobicContact CG-CG2 4.09Å; R345-I347 PolarHBondContact O-N 3.33Å; R345-S362 WeakPolarHBondContact O-CA 3.46Å; R345-S362 PolarHBondContact O-OG 3.46Å; R345-S363 VanDerWaalsContact CG-OG 3.24Å; R345-S363 WeakPolarHBondContact CG-OG 3.33Å; R345-S363 PolarHBondContact O-N 3.49Å
346	V	98.1	Very high	95.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	122.4	169.6	-163.2	0	0	0	0	107.5	T305 A319 S320 C325 H342 E344 T360 A361	T305-V346 WeakPolarHBondContact CB-O 3.41Å; T305-V346 WeakPolarHBondContact CG2-O 3.33Å; T305-V346 PolarHBondContact OG1-O 2.92Å; A319-V346 HydrophobicContact CB-CB 4.12Å; A319-V346 HydrophobicContact CB-CG1 3.94Å; S320-V346 PolarHBondContact O-N 3.14Å; C325-V346 VanDerWaalsContact SG-CG1 3.51Å; H342-V346 HydrophobicContact CB-CG2 4.27Å; E344-V346 PolarHBondContact O-N 2.95Å; V346-T360 HydrophobicContact CG1-CG2 4.43Å; V346-A361 CarbonylContact C-O 3.56Å; V346-A361 WeakPolarHBondContact CG1-O 3.38Å
347	I	96.8	Very high	95.4	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.067	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-29	-172.1	47.8	169.8	0	0	0	112.4	R345 A361 S363 F387 R476	R345-I347 HydrophobicContact CG-CG2 4.09Å; R345-I347 PolarHBondContact O-N 3.33Å; I347-A361 HydrophobicContact CD1-CB 4.28Å; I347-A361 HydrophobicContact CG1-CB 4.01Å; I347-A361 WeakPolarHBondContact CG1-O 3.26Å; I347-A361 PolarHBondContact N-O 3.4Å; I347-S363 WeakPolarHBondContact CG2-OG 3.31Å; I347-F387 HydrophobicContact CD1-CD2 4.11Å; I347-F387 WeakPolarHBondContact CD1-O 3.35Å; I347-R476 PolarHBondContact O-NH2 2.8Å; I347-R476 VanDerWaalsContact O-NH2 3.12Å
348	S	97.5	Very high	95.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	146.1	178.5	-169.4	0	0	0	0	109.6	K350 A361 D389	S348-K350 PolarHBondContact OG-NZ 3.33Å; S348-K350 VanDerWaalsContact OG-NZ 3.12Å; S348-A361 PolarHBondContact N-O 2.99Å; S348-A361 PolarHBondContact O-N 2.87Å; S348-D389 VanDerWaalsContact CB-OD1 3.23Å; S348-D389 WeakPolarHBondContact CB-OD1 3.38Å; S348-D389 PolarHBondContact OG-OD1 3.05Å
349	A	97.7	Very high	95.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.9	172.3	0	0	0	0	0	109.1	L317 A319 V359 T360	L317-A349 HydrophobicContact CD1-CB 4.27Å; L317-A349 HydrophobicContact CD2-CB 3.6Å; L317-A349 HydrophobicContact CG-CB 3.9Å; A319-A349 HydrophobicContact CB-CB 3.85Å; A349-V359 CarbonylContact C-O 3.59Å; A349-V359 VanDerWaalsContact CA-O 3.23Å; A349-V359 WeakPolarHBondContact CA-O 3.46Å; A349-T360 HydrophobicContact CB-CG2 3.94Å
350	K	97.9	Very high	95.7	Very high	16 Å²	16	35.6 Å²	35.6	7%	0.07	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	145.6	-179.5	-62.6	-68.3	179.3	-70.6	0	111.4	R264 D308 S348 V358 V359 D389 V390 V392	R264-K350 VanDerWaalsContact NH1-CE 3.29Å; D308-K350 HydrophobicContact CB-CD 4.16Å; D308-K350 WeakPolarHBondContact OD2-CA 3.49Å; D308-K350 WeakPolarHBondContact OD2-CD 3.49Å; S348-K350 PolarHBondContact OG-NZ 3.33Å; S348-K350 VanDerWaalsContact OG-NZ 3.12Å; K350-V358 CarbonylContact O-C 3.6Å; K350-V358 WeakPolarHBondContact O-CA 3.42Å; K350-V359 HydrophobicContact CB-CG1 3.81Å; K350-V359 PolarHBondContact N-O 2.98Å; K350-V359 PolarHBondContact O-N 3.42Å; K350-D389 IonicContact NZ-OD1 2.97Å; K350-V390 HydrophobicContact CG-CG1 4.46Å; K350-V390 WeakPolarHBondContact CG-O 3.49Å; K350-V392 HydrophobicContact CB-CG2 3.86Å
351	F	97.6	Very high	95.7	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.048	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	147.5	165.1	-72.8	-72.8	0	0	0	110.5	D308 D310 A315 L317 V327 S354 A355 R357 V358	D308-F351 HydrophobicContact CB-CD2 4.29Å; D308-F351 PolarHBondContact OD2-N 2.99Å; D310-F351 HydrophobicContact CB-CD1 4.28Å; D310-F351 HydrophobicContact CB-CD2 3.91Å; D310-F351 HydrophobicContact CB-CE1 4.43Å; D310-F351 HydrophobicContact CB-CE2 4.03Å; D310-F351 HydrophobicContact CB-CG 4.01Å; D310-F351 HydrophobicContact CB-CZ 4.29Å; D310-F351 VanDerWaalsContact N-CD2 3.28Å; A315-F351 HydrophobicContact CB-CZ 3.96Å; L317-F351 HydrophobicContact CB-CD2 4.04Å; L317-F351 HydrophobicContact CB-CE1 4.41Å; L317-F351 HydrophobicContact CB-CE2 3.4Å; L317-F351 VanDerWaalsContact CB-CE2 3.4Å; L317-F351 HydrophobicContact CB-CZ 3.63Å; L317-F351 HydrophobicContact CD2-CD2 4.4Å; L317-F351 HydrophobicContact CD2-CE2 4.49Å; V327-F351 HydrophobicContact CG1-CE1 4.39Å; V327-F351 HydrophobicContact CG1-CZ 4.14Å; F351-S354 WeakPolarHBondContact CD1-O 3.31Å; F351-A355 HydrophobicContact CE1-CB 4.43Å; F351-R357 WeakPolarHBondContact CA-O 3.24Å; F351-V358 HydrophobicContact CD1-CG2 3.59Å; F351-V358 HydrophobicContact CE1-CG2 3.7Å; F351-V358 HydrophobicContact CG-CG2 4.49Å
352	M	94.7	Very high	95.9	Very high	16 Å²	16	29 Å²	29	8%	0.079	16%	0.155	C	C	.	.			trans	-110.7	74.5	179.1	-54.9	-169.5	-51.1	0	0	109.7	S354 R357 V359 I369 V392 L399	M352-S354 PolarHBondContact O-N 3.29Å; M352-R357 HydrophobicContact CB-CB 3.93Å; M352-R357 HydrophobicContact CE-CB 3.71Å; M352-R357 HydrophobicContact CE-CG 4.39Å; M352-R357 PolarHBondContact N-O 2.97Å; M352-V359 HydrophobicContact CG-CB 4.19Å; M352-V359 HydrophobicContact CG-CG1 4.15Å; M352-V359 HydrophobicContact SD-CB 3.86Å; M352-V359 HydrophobicContact SD-CG1 4.37Å; M352-I369 HydrophobicContact CE-CG2 3.41Å; M352-I369 VanDerWaalsContact CE-CG2 3.41Å; M352-I369 HydrophobicContact SD-CG2 4.31Å; M352-V392 HydrophobicContact CB-CG1 4.34Å; M352-V392 HydrophobicContact CG-CG1 4.25Å; M352-V392 HydrophobicContact CG-CG2 3.95Å; M352-L399 HydrophobicContact SD-CD2 4.14Å
353	G	88.7	Confident	95.8	Very high	49 Å²	49	29.9 Å²	29.9	51%	0.505	16%	0.163	S	C	.	.	S	Bend	trans	74.8	-14.2	177.1	0	0	0	0	0	116
354	S	90.1	Very high	95.8	Very high	32 Å²	32	27.2 Å²	27.2	22%	0.224	14%	0.142	C	C	.	.	S	Bend	trans	-154.6	159.9	179.6	55.2	0	0	0	0	111.9	F351 M352 N356 R357	F351-S354 WeakPolarHBondContact CD1-O 3.31Å; M352-S354 PolarHBondContact O-N 3.29Å; S354-N356 WeakPolarHBondContact CB-OD1 3.27Å; S354-N356 PolarHBondContact O-N 2.97Å; S354-N356 VanDerWaalsContact O-N 3.1Å; S354-N356 PolarHBondContact OG-OD1 2.88Å; S354-R357 PolarHBondContact O-N 2.74Å
355	A	89.9	Confident	95.7	Very high	10 Å²	10	29.4 Å²	29.4	8%	0.083	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.4	178.1	0	0	0	0	0	114.5	D310 A315 F351	D310-A355 HydrophobicContact CB-CB 3.94Å; A315-A355 HydrophobicContact CB-CB 4.09Å; F351-A355 HydrophobicContact CE1-CB 4.43Å
356	N	94.5	Very high	95.7	Very high	54 Å²	54	23.8 Å²	23.8	29%	0.289	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-2.6	-178.1	70.6	-15	0	0	0	115.1	S354 V372 D373	S354-N356 WeakPolarHBondContact CB-OD1 3.27Å; S354-N356 PolarHBondContact O-N 2.97Å; S354-N356 VanDerWaalsContact O-N 3.1Å; S354-N356 PolarHBondContact OG-OD1 2.88Å; N356-V372 PolarHBondContact O-N 3.31Å; N356-D373 WeakPolarHBondContact CB-OD2 3.3Å; N356-D373 PolarHBondContact ND2-OD2 3.31Å; N356-D373 VanDerWaalsContact ND2-OD2 3.11Å
357	R	95.5	Very high	95.6	Very high	93 Å²	93	23.8 Å²	23.8	35%	0.351	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	126	-179.9	-70.8	-169.1	-176.8	-160.4	7.6	110.5	F351 M352 S354 W370 E413	F351-R357 WeakPolarHBondContact CA-O 3.24Å; M352-R357 HydrophobicContact CB-CB 3.93Å; M352-R357 HydrophobicContact CE-CB 3.71Å; M352-R357 HydrophobicContact CE-CG 4.39Å; M352-R357 PolarHBondContact N-O 2.97Å; S354-R357 PolarHBondContact O-N 2.74Å; R357-W370 WeakPolarHBondContact CA-O 3.27Å; R357-E413 IonicContact NH1-OE1 3.32Å
358	V	97.8	Very high	95.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.4	-176.9	170.4	0	0	0	0	109.6	L317 V327 L339 K350 F351 T360 I369 W370 V372	L317-V358 HydrophobicContact CD1-CG1 3.93Å; L317-V358 HydrophobicContact CD1-CG2 4.31Å; L317-V358 HydrophobicContact CD2-CB 4.46Å; L317-V358 HydrophobicContact CD2-CG1 3.56Å; L317-V358 HydrophobicContact CD2-CG2 4.07Å; L317-V358 HydrophobicContact CG-CG1 4.42Å; V327-V358 HydrophobicContact CG2-CG2 4.47Å; L339-V358 HydrophobicContact CD1-CB 4.17Å; L339-V358 HydrophobicContact CD1-CG1 4.04Å; L339-V358 HydrophobicContact CD1-CG2 4.48Å; K350-V358 CarbonylContact O-C 3.6Å; K350-V358 WeakPolarHBondContact O-CA 3.42Å; F351-V358 HydrophobicContact CD1-CG2 3.59Å; F351-V358 HydrophobicContact CE1-CG2 3.7Å; F351-V358 HydrophobicContact CG-CG2 4.49Å; V358-T360 HydrophobicContact CG1-CG2 3.87Å; V358-I369 CarbonylContact O-C 3.54Å; V358-I369 WeakPolarHBondContact O-CA 3.38Å; V358-W370 HydrophobicContact CB-CB 4.32Å; V358-W370 PolarHBondContact N-O 3.02Å; V358-W370 PolarHBondContact O-N 3.47Å; V358-V372 HydrophobicContact CB-CG2 4.26Å; V358-V372 HydrophobicContact CG2-CG2 3.63Å
359	V	97.7	Very high	95.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.6	163.2	62.3	0	0	0	0	109.2	A349 K350 M352 I367 K368 V390 V392 L399	A349-V359 CarbonylContact C-O 3.59Å; A349-V359 VanDerWaalsContact CA-O 3.23Å; A349-V359 WeakPolarHBondContact CA-O 3.46Å; K350-V359 HydrophobicContact CB-CG1 3.81Å; K350-V359 PolarHBondContact N-O 2.98Å; K350-V359 PolarHBondContact O-N 3.42Å; M352-V359 HydrophobicContact CG-CB 4.19Å; M352-V359 HydrophobicContact CG-CG1 4.15Å; M352-V359 HydrophobicContact SD-CB 3.86Å; M352-V359 HydrophobicContact SD-CG1 4.37Å; V359-I367 HydrophobicContact CG2-CG2 3.42Å; V359-I367 VanDerWaalsContact CG2-CG2 3.42Å; V359-K368 CarbonylContact C-O 3.47Å; V359-K368 WeakPolarHBondContact CA-O 3.5Å; V359-V390 HydrophobicContact CG1-CG1 4.32Å; V359-V390 HydrophobicContact CG1-CG2 4.32Å; V359-V390 HydrophobicContact CG2-CG2 4.15Å; V359-V392 HydrophobicContact CG1-CG2 3.53Å; V359-L399 HydrophobicContact CB-CD2 4.19Å; V359-L399 HydrophobicContact CG1-CD2 4.19Å; V359-L399 HydrophobicContact CG2-CD1 3.84Å; V359-L399 HydrophobicContact CG2-CD2 4.07Å
360	T	97.9	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.7	173.9	60.8	0	0	0	0	110.3	C325 H342 V346 A349 V358 I367 K368 W370	C325-T360 HydrophobicContact CB-CG2 4.03Å; C325-T360 WeakPolarHBondContact SG-CG2 3.09Å; H342-T360 PolarHBondContact NE2-OG1 3.07Å; V346-T360 HydrophobicContact CG1-CG2 4.43Å; A349-T360 HydrophobicContact CB-CG2 3.94Å; V358-T360 HydrophobicContact CG1-CG2 3.87Å; T360-I367 CarbonylContact O-C 3.59Å; T360-I367 VanDerWaalsContact O-CA 3.26Å; T360-I367 WeakPolarHBondContact O-CA 3.48Å; T360-K368 PolarHBondContact N-O 3.21Å; T360-K368 PolarHBondContact O-N 2.83Å; T360-K368 PolarHBondContact OG1-O 3.44Å; T360-W370 VanDerWaalsContact CG2-NE1 3.3Å; T360-W370 PolarHBondContact OG1-NE1 3.41Å
361	A	96.6	Very high	95.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.7	178.7	0	0	0	0	0	108.4	V346 I347 S348 F387 V390	V346-A361 CarbonylContact C-O 3.56Å; V346-A361 WeakPolarHBondContact CG1-O 3.38Å; I347-A361 HydrophobicContact CD1-CB 4.28Å; I347-A361 HydrophobicContact CG1-CB 4.01Å; I347-A361 WeakPolarHBondContact CG1-O 3.26Å; I347-A361 PolarHBondContact N-O 3.4Å; S348-A361 PolarHBondContact N-O 2.99Å; S348-A361 PolarHBondContact O-N 2.87Å; A361-F387 HydrophobicContact CB-CD2 3.82Å; A361-F387 HydrophobicContact CB-CE2 3.34Å; A361-F387 HydrophobicContact CB-CZ 4.44Å; A361-V390 HydrophobicContact CB-CB 4Å; A361-V390 HydrophobicContact CB-CG1 3.68Å
362	S	97.2	Very high	95.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.3	-176.2	170.9	0	0	0	0	112.9	H342 E344 R345 D364 R365 T366	H342-S362 WeakPolarHBondContact CE1-CB 2.98Å; H342-S362 WeakPolarHBondContact ND1-CB 3.24Å; E344-S362 PolarHBondContact O-OG 3.32Å; E344-S362 VanDerWaalsContact O-OG 3.14Å; R345-S362 WeakPolarHBondContact O-CA 3.46Å; R345-S362 PolarHBondContact O-OG 3.46Å; S362-D364 VanDerWaalsContact CB-CG 3.49Å; S362-D364 WeakPolarHBondContact CB-OD1 3.4Å; S362-D364 WeakPolarHBondContact CB-OD2 3.36Å; S362-D364 PolarHBondContact O-N 3.08Å; S362-D364 PolarHBondContact OG-N 2.98Å; S362-D364 PolarHBondContact OG-OD1 3Å; S362-D364 PolarHBondContact OG-OD2 3.3Å; S362-R365 PolarHBondContact O-N 3.4Å; S362-R365 VanDerWaalsContact O-N 3.12Å; S362-T366 PolarHBondContact N-O 3.15Å
363	S	96	Very high	95.3	Very high	34 Å²	34	27.7 Å²	27.7	24%	0.238	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.2	172.2	-64.7	0	0	0	0	113.2	R345 I347 R365	R345-S363 VanDerWaalsContact CG-OG 3.24Å; R345-S363 WeakPolarHBondContact CG-OG 3.33Å; R345-S363 PolarHBondContact O-N 3.49Å; I347-S363 WeakPolarHBondContact CG2-OG 3.31Å; S363-R365 PolarHBondContact O-N 3.06Å; S363-R365 VanDerWaalsContact O-N 3.14Å
364	D	95.6	Very high	95.5	Very high	25 Å²	25	32.2 Å²	32.2	13%	0.134	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	3.9	170.5	62.4	25.9	0	0	0	113.2	H342 S343 E344 S362 T366	H342-D364 WeakPolarHBondContact CA-OD2 3.27Å; H342-D364 VanDerWaalsContact CB-OD2 3.32Å; H342-D364 WeakPolarHBondContact CB-OD2 3.49Å; H342-D364 IonicContact CE1-OD2 3.47Å; H342-D364 IonicContact CG-OD2 3.39Å; H342-D364 IonicContact ND1-OD1 3.95Å; H342-D364 IonicContact ND1-OD2 3.52Å; H342-D364 PolarHBondContact ND1-OD2 3.29Å; S343-D364 PolarHBondContact N-OD2 2.82Å; S343-D364 WeakPolarHBondContact OG-CB 3.44Å; E344-D364 HydrophobicContact CB-CB 3.87Å; E344-D364 HydrophobicContact CG-CB 4.07Å; S362-D364 VanDerWaalsContact CB-CG 3.49Å; S362-D364 WeakPolarHBondContact CB-OD1 3.4Å; S362-D364 WeakPolarHBondContact CB-OD2 3.36Å; S362-D364 PolarHBondContact O-N 3.08Å; S362-D364 PolarHBondContact OG-N 2.98Å; S362-D364 PolarHBondContact OG-OD1 3Å; S362-D364 PolarHBondContact OG-OD2 3.3Å; D364-T366 VanDerWaalsContact CG-OG1 3.28Å; D364-T366 PolarHBondContact O-N 3.44Å; D364-T366 WeakPolarHBondContact OD1-CA 3.33Å; D364-T366 VanDerWaalsContact OD1-CB 3.24Å; D364-T366 WeakPolarHBondContact OD1-CB 3.48Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.26Å; D364-T366 PolarHBondContact OD1-N 3.42Å; D364-T366 PolarHBondContact OD1-OG1 2.88Å; D364-T366 PolarHBondContact OD2-OG1 3.1Å
365	R	95.5	Very high	95.5	Very high	132 Å²	132	34.7 Å²	34.7	50%	0.498	17%	0.17	S	C	.	.	S	Bend	trans	66.7	22.4	-179.4	-47	176.4	-169.5	162.7	5.7	113.2	S362 S363 A383	S362-R365 PolarHBondContact O-N 3.4Å; S362-R365 VanDerWaalsContact O-N 3.12Å; S363-R365 PolarHBondContact O-N 3.06Å; S363-R365 VanDerWaalsContact O-N 3.14Å; R365-A383 PolarHBondContact O-N 3.42Å
366	T	96.4	Very high	95.7	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.08	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142	175.6	76	0	0	0	0	112.3	H342 S362 D364 T380 I381 M382 F387	H342-T366 PolarHBondContact CE1-OG1 3.19Å; H342-T366 VanDerWaalsContact CE1-OG1 3.27Å; H342-T366 PolarHBondContact ND1-OG1 2.89Å; S362-T366 PolarHBondContact N-O 3.15Å; D364-T366 VanDerWaalsContact CG-OG1 3.28Å; D364-T366 PolarHBondContact O-N 3.44Å; D364-T366 WeakPolarHBondContact OD1-CA 3.33Å; D364-T366 VanDerWaalsContact OD1-CB 3.24Å; D364-T366 WeakPolarHBondContact OD1-CB 3.48Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.26Å; D364-T366 PolarHBondContact OD1-N 3.42Å; D364-T366 PolarHBondContact OD1-OG1 2.88Å; D364-T366 PolarHBondContact OD2-OG1 3.1Å; T366-T380 HydrophobicContact CG2-CG2 4.06Å; T366-I381 CarbonylContact C-O 3.52Å; T366-I381 WeakPolarHBondContact CA-O 3.43Å; T366-M382 HydrophobicContact CG2-CE 4.49Å; T366-M382 HydrophobicContact CG2-SD 3.68Å; T366-F387 WeakPolarHBondContact O-CZ 3.41Å
367	I	97.1	Very high	95.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.4	167.9	-52	159.6	0	0	0	106.1	V359 T360 T380 I381 A383 F387 L399 T401 W411	V359-I367 HydrophobicContact CG2-CG2 3.42Å; V359-I367 VanDerWaalsContact CG2-CG2 3.42Å; T360-I367 CarbonylContact O-C 3.59Å; T360-I367 VanDerWaalsContact O-CA 3.26Å; T360-I367 WeakPolarHBondContact O-CA 3.48Å; I367-T380 CarbonylContact O-C 3.56Å; I367-T380 WeakPolarHBondContact O-CA 3.18Å; I367-I381 HydrophobicContact CB-CB 4.19Å; I367-I381 HydrophobicContact CD1-CG2 4.42Å; I367-I381 PolarHBondContact N-O 3.3Å; I367-I381 PolarHBondContact O-N 3.47Å; I367-A383 HydrophobicContact CD1-CB 4.3Å; I367-F387 HydrophobicContact CD1-CE2 4.47Å; I367-F387 HydrophobicContact CD1-CZ 4.42Å; I367-F387 HydrophobicContact CG1-CE1 4.4Å; I367-F387 HydrophobicContact CG1-CE2 3.63Å; I367-F387 HydrophobicContact CG1-CZ 3.51Å; I367-L399 HydrophobicContact CG2-CD1 4.06Å; I367-T401 HydrophobicContact CD1-CG2 3.6Å; I367-T401 HydrophobicContact CG1-CG2 4.27Å; I367-W411 HydrophobicContact CD1-CD2 4.21Å; I367-W411 HydrophobicContact CD1-CG 4.22Å; I367-W411 HydrophobicContact CD1-CZ2 4.43Å
368	K	97.2	Very high	95.6	Very high	26 Å²	26	37.9 Å²	37.9	11%	0.113	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.3	178.5	-68.8	178.8	-172.9	-80.3	0	110.6	G341 H342 V359 T360 W370 R379 T380	G341-K368 VanDerWaalsContact O-CE 3.22Å; G341-K368 WeakPolarHBondContact O-CE 3.32Å; H342-K368 VanDerWaalsContact CE1-CD 3.48Å; H342-K368 WeakPolarHBondContact CE1-CD 3.24Å; V359-K368 CarbonylContact C-O 3.47Å; V359-K368 WeakPolarHBondContact CA-O 3.5Å; T360-K368 PolarHBondContact N-O 3.21Å; T360-K368 PolarHBondContact O-N 2.83Å; T360-K368 PolarHBondContact OG1-O 3.44Å; K368-W370 HydrophobicContact CB-CZ2 3.68Å; K368-W370 HydrophobicContact CD-CH2 3.91Å; K368-W370 HydrophobicContact CD-CZ2 3.44Å; K368-W370 VanDerWaalsContact CD-CZ2 3.44Å; K368-W370 HydrophobicContact CG-CZ2 4.19Å; K368-W370 PolarHBondContact O-NE1 3.05Å; K368-R379 CarbonylContact C-O 3.58Å; K368-R379 VanDerWaalsContact CA-O 3.3Å; K368-R379 WeakPolarHBondContact CA-O 3.43Å; K368-T380 HydrophobicContact CG-CG2 4.2Å; K368-T380 PolarHBondContact NZ-OG1 3.04Å
369	I	97	Very high	95.5	Very high	9 Å²	9	42.6 Å²	42.6	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.6	173.7	-62.6	173.9	0	0	0	107.7	M352 V358 C377 R378 R379 I381 L399 E413	M352-I369 HydrophobicContact CE-CG2 3.41Å; M352-I369 VanDerWaalsContact CE-CG2 3.41Å; M352-I369 HydrophobicContact SD-CG2 4.31Å; V358-I369 CarbonylContact O-C 3.54Å; V358-I369 WeakPolarHBondContact O-CA 3.38Å; I369-C377 CarbonylContact O-C 3.35Å; I369-R378 HydrophobicContact CG2-CB 4.44Å; I369-R378 PolarHBondContact O-N 3.43Å; I369-R379 HydrophobicContact CB-CB 4.23Å; I369-R379 HydrophobicContact CD1-CB 4.34Å; I369-R379 PolarHBondContact N-O 2.98Å; I369-R379 PolarHBondContact O-N 2.95Å; I369-I381 HydrophobicContact CD1-CD1 4.41Å; I369-L399 HydrophobicContact CD1-CD1 4.03Å; I369-L399 HydrophobicContact CG1-CD1 4.22Å; I369-E413 HydrophobicContact CD1-CG 4.03Å
370	W	97.3	Very high	95.4	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.3	-173.4	-52.9	85.9	0	0	0	111.4	L339 T340 R357 V358 T360 K368 C376 C377	L339-W370 HydrophobicContact CB-CD2 4.11Å; L339-W370 HydrophobicContact CB-CE3 4.14Å; L339-W370 HydrophobicContact CB-CZ3 4.38Å; L339-W370 HydrophobicContact CD1-CB 4.04Å; L339-W370 HydrophobicContact CD1-CD2 4.29Å; L339-W370 HydrophobicContact CD1-CG 3.9Å; L339-W370 HydrophobicContact CD2-CB 4.06Å; L339-W370 HydrophobicContact CD2-CD2 4.14Å; L339-W370 HydrophobicContact CD2-CE3 3.93Å; L339-W370 HydrophobicContact CD2-CG 4.21Å; L339-W370 HydrophobicContact CG-CD2 4.42Å; L339-W370 HydrophobicContact CG-CG 4.47Å; T340-W370 WeakPolarHBondContact O-CH2 3.32Å; T340-W370 WeakPolarHBondContact O-CZ3 3.14Å; R357-W370 WeakPolarHBondContact CA-O 3.27Å; V358-W370 HydrophobicContact CB-CB 4.32Å; V358-W370 PolarHBondContact N-O 3.02Å; V358-W370 PolarHBondContact O-N 3.47Å; T360-W370 VanDerWaalsContact CG2-NE1 3.3Å; T360-W370 PolarHBondContact OG1-NE1 3.41Å; K368-W370 HydrophobicContact CB-CZ2 3.68Å; K368-W370 HydrophobicContact CD-CH2 3.91Å; K368-W370 HydrophobicContact CD-CZ2 3.44Å; K368-W370 VanDerWaalsContact CD-CZ2 3.44Å; K368-W370 HydrophobicContact CG-CZ2 4.19Å; K368-W370 PolarHBondContact O-NE1 3.05Å; W370-C376 WeakPolarHBondContact CA-O 3.22Å; W370-C377 HydrophobicContact CD2-CB 4.37Å; W370-C377 HydrophobicContact CE3-CB 3.77Å; W370-C377 HydrophobicContact CH2-CB 4.07Å; W370-C377 HydrophobicContact CZ3-CB 3.61Å
371	D	95.6	Very high	95.3	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.032	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	109.4	160.2	-169	-38.5	0	0	0	107.6	D373 K374 C375 C376 R378	D371-D373 PolarHBondContact OD1-N 3.21Å; D371-K374 HydrophobicContact CB-CB 4.08Å; D371-K374 PolarHBondContact OD1-N 3.1Å; D371-K374 WeakPolarHBondContact OD2-CD 3.48Å; D371-C375 WeakPolarHBondContact O-CA 3.49Å; D371-C375 PolarHBondContact O-N 3Å; D371-C376 PolarHBondContact N-O 3.31Å; D371-C376 PolarHBondContact O-N 3.43Å; D371-C376 VanDerWaalsContact O-N 3.11Å; D371-R378 HydrophobicContact CB-CG 3.87Å; D371-R378 IonicContact OD2-CZ 3.95Å; D371-R378 IonicContact OD2-NE 2.74Å; D371-R378 PolarHBondContact OD2-NE 2.83Å; D371-R378 IonicContact OD2-NH2 3.98Å; D371-R378 PolarHBondContact OD2-NH2 3.1Å
372	V	94.5	Very high	95.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-34	-175.9	-177.6	0	0	0	0	110.6	V327 V337 N356 V358 C375	V327-V372 HydrophobicContact CG2-CG1 4.3Å; V337-V372 HydrophobicContact CB-CG1 3.99Å; V337-V372 HydrophobicContact CG1-CG1 4.37Å; V337-V372 HydrophobicContact CG2-CG1 3.57Å; N356-V372 PolarHBondContact O-N 3.31Å; V358-V372 HydrophobicContact CB-CG2 4.26Å; V358-V372 HydrophobicContact CG2-CG2 3.63Å; V372-C375 PolarHBondContact O-N 3.39Å; V372-C375 PolarHBondContact O-SG 3.47Å
373	D	93.3	Very high	94.7	Very high	90 Å²	90	52.1 Å²	52.1	48%	0.481	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-36.1	-180	-62.4	-30.4	0	0	0	111.1	R336 N356 D371	R336-D373 IonicContact CZ-OD1 3.31Å; R336-D373 IonicContact NH2-OD1 2.92Å; R336-D373 PolarHBondContact NH2-OD1 3.05Å; N356-D373 WeakPolarHBondContact CB-OD2 3.3Å; N356-D373 PolarHBondContact ND2-OD2 3.31Å; N356-D373 VanDerWaalsContact ND2-OD2 3.11Å; D371-D373 PolarHBondContact OD1-N 3.21Å
374	K	92.2	Very high	94.1	Very high	144 Å²	144	54.7 Å²	54.7	63%	0.626	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.9	176.3	-60.4	-175	-174.4	-178.4	0	113.8	D371 C376	D371-K374 HydrophobicContact CB-CB 4.08Å; D371-K374 PolarHBondContact OD1-N 3.1Å; D371-K374 WeakPolarHBondContact OD2-CD 3.48Å; K374-C376 PolarHBondContact O-N 3.29Å; K374-C376 VanDerWaalsContact O-N 3.11Å
375	C	91.3	Very high	93.8	Very high	84 Å²	84	54.3 Å²	54.3	57%	0.568	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.5	38.4	-174.7	-63.2	0	0	0	0	113.4	D371 V372	D371-C375 WeakPolarHBondContact O-CA 3.49Å; D371-C375 PolarHBondContact O-N 3Å; V372-C375 PolarHBondContact O-N 3.39Å; V372-C375 PolarHBondContact O-SG 3.47Å
376	C	93	Very high	93.6	Very high	51 Å²	51	50.3 Å²	50.3	35%	0.345	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	145.3	-173.8	74.9	0	0	0	0	113.1	W370 D371 K374 R378	W370-C376 WeakPolarHBondContact CA-O 3.22Å; D371-C376 PolarHBondContact N-O 3.31Å; D371-C376 PolarHBondContact O-N 3.43Å; D371-C376 VanDerWaalsContact O-N 3.11Å; K374-C376 PolarHBondContact O-N 3.29Å; K374-C376 VanDerWaalsContact O-N 3.11Å; C376-R378 PolarHBondContact O-N 3.49Å
377	C	94.5	Very high	93.2	Very high	48 Å²	48	49.7 Å²	49.7	32%	0.324	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	105.9	171.1	175.5	0	0	0	0	108.9	I369 W370 R379 T380	I369-C377 CarbonylContact O-C 3.35Å; W370-C377 HydrophobicContact CD2-CB 4.37Å; W370-C377 HydrophobicContact CE3-CB 3.77Å; W370-C377 HydrophobicContact CH2-CB 4.07Å; W370-C377 HydrophobicContact CZ3-CB 3.61Å; C377-R379 PolarHBondContact SG-O 2.97Å; C377-T380 PolarHBondContact SG-OG1 3.12Å
378	R	94.4	Very high	93	Very high	124 Å²	124	50.8 Å²	50.8	47%	0.468	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	-35.7	176.3	-74.9	-172.8	166.9	-157.5	2.7	112.5	I369 D371 C376	I369-R378 HydrophobicContact CG2-CB 4.44Å; I369-R378 PolarHBondContact O-N 3.43Å; D371-R378 HydrophobicContact CB-CG 3.87Å; D371-R378 IonicContact OD2-CZ 3.95Å; D371-R378 IonicContact OD2-NE 2.74Å; D371-R378 PolarHBondContact OD2-NE 2.83Å; D371-R378 IonicContact OD2-NH2 3.98Å; D371-R378 PolarHBondContact OD2-NH2 3.1Å; C376-R378 PolarHBondContact O-N 3.49Å
379	R	94.8	Very high	92.9	Very high	99 Å²	99	49.6 Å²	49.6	37%	0.374	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	142.8	-177.1	-175.1	172.8	-68.8	-69.6	3.8	111.4	K368 I369 C377 I381 R414	K368-R379 CarbonylContact C-O 3.58Å; K368-R379 VanDerWaalsContact CA-O 3.3Å; K368-R379 WeakPolarHBondContact CA-O 3.43Å; I369-R379 HydrophobicContact CB-CB 4.23Å; I369-R379 HydrophobicContact CD1-CB 4.34Å; I369-R379 PolarHBondContact N-O 2.98Å; I369-R379 PolarHBondContact O-N 2.95Å; C377-R379 PolarHBondContact SG-O 2.97Å; R379-I381 HydrophobicContact CG-CG1 3.98Å; R379-R414 PolarHBondContact NE-O 2.95Å; R379-R414 PolarHBondContact NH2-O 3.25Å
380	T	96.1	Very high	92.9	Very high	63 Å²	63	49.1 Å²	49.1	39%	0.387	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	123.1	166.2	-61	0	0	0	0	108	T366 I367 K368 C377	T366-T380 HydrophobicContact CG2-CG2 4.06Å; I367-T380 CarbonylContact O-C 3.56Å; I367-T380 WeakPolarHBondContact O-CA 3.18Å; K368-T380 HydrophobicContact CG-CG2 4.2Å; K368-T380 PolarHBondContact NZ-OG1 3.04Å; C377-T380 PolarHBondContact SG-OG1 3.12Å
381	I	95.7	Very high	92.9	Very high	6 Å²	6	49 Å²	49	3%	0.031	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.9	176.9	-57.8	169.3	0	0	0	107.8	T366 I367 I369 R379 L399 W411 G416	T366-I381 CarbonylContact C-O 3.52Å; T366-I381 WeakPolarHBondContact CA-O 3.43Å; I367-I381 HydrophobicContact CB-CB 4.19Å; I367-I381 HydrophobicContact CD1-CG2 4.42Å; I367-I381 PolarHBondContact N-O 3.3Å; I367-I381 PolarHBondContact O-N 3.47Å; I369-I381 HydrophobicContact CD1-CD1 4.41Å; R379-I381 HydrophobicContact CG-CG1 3.98Å; I381-L399 HydrophobicContact CD1-CD1 4.24Å; I381-W411 HydrophobicContact CG2-CD2 4.07Å; I381-W411 HydrophobicContact CG2-CE3 3.48Å; I381-W411 VanDerWaalsContact CG2-CE3 3.48Å; I381-W411 HydrophobicContact CG2-CH2 4.48Å; I381-W411 HydrophobicContact CG2-CZ3 3.7Å; I381-G416 WeakPolarHBondContact CG2-O 3.39Å
382	M	93.9	Very high	93	Very high	131 Å²	131	49.5 Å²	49.5	65%	0.645	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	112.8	177.7	-63.2	-63.3	-69.7	0	0	109.6	T366 A384	T366-M382 HydrophobicContact CG2-CE 4.49Å; T366-M382 HydrophobicContact CG2-SD 3.68Å; M382-A384 VanDerWaalsContact C-N 3.33Å; M382-A384 PolarHBondContact O-N 2.85Å
383	A	87.4	Confident	93	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	27%	0.268	C	S	.	.			trans	-84	-9.2	-175.6	0	0	0	0	0	114.2	R365 I367 S385 F387 W411	R365-A383 PolarHBondContact O-N 3.42Å; I367-A383 HydrophobicContact CD1-CB 4.3Å; A383-S385 PolarHBondContact O-N 3.31Å; A383-S385 PolarHBondContact O-OG 2.99Å; A383-F387 HydrophobicContact CB-CD1 3.64Å; A383-F387 HydrophobicContact CB-CE1 3.19Å; A383-F387 HydrophobicContact CB-CZ 3.95Å; A383-W411 HydrophobicContact CB-CH2 4.18Å; A383-W411 HydrophobicContact CB-CZ2 3.81Å
384	A	83.9	Confident	93	Very high	87 Å²	87	48.2 Å²	48.2	72%	0.719	27%	0.265	S	S	*	.	S	Bend	trans	61.1	-22.2	-179.1	0	0	0	0	0	116.8	M382	M382-A384 VanDerWaalsContact C-N 3.33Å; M382-A384 PolarHBondContact O-N 2.85Å
385	S	89.3	Confident	92.8	Very high	17 Å²	17	45.1 Å²	45.1	12%	0.119	26%	0.262	C	S	.	.	S	Bend	trans	-120.6	162.8	173.7	43.8	0	0	0	0	111.4	A383 F387 H403 R409	A383-S385 PolarHBondContact O-N 3.31Å; A383-S385 PolarHBondContact O-OG 2.99Å; S385-F387 VanDerWaalsContact O-CD1 3.27Å; S385-F387 WeakPolarHBondContact O-CD1 3.43Å; S385-H403 PolarHBondContact OG-CE1 3.25Å; S385-H403 PolarHBondContact OG-ND1 3.01Å; S385-R409 PolarHBondContact OG-NH1 3.08Å; S385-R409 VanDerWaalsContact OG-NH1 3.16Å; S385-R409 PolarHBondContact OG-NH2 3.28Å
386	T	90.5	Very high	92.8	Very high	48 Å²	48	44.6 Å²	44.6	29%	0.294	25%	0.252	S	S	.	.			trans	-75.7	129.7	170.7	-54.4	0	0	0	0	109.3	F404	T386-F404 HydrophobicContact CG2-CD2 3.68Å; T386-F404 HydrophobicContact CG2-CE2 3.68Å; T386-F404 WeakPolarHBondContact O-CD2 3.21Å; T386-F404 PolarHBondContact O-N 3.47Å
387	F	89.2	Confident	92.8	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	164.4	174.1	41.9	-70.4	0	0	0	110.5	I347 A361 T366 I367 A383 S385 T401 G402 H403	I347-F387 HydrophobicContact CD1-CD2 4.11Å; I347-F387 WeakPolarHBondContact CD1-O 3.35Å; A361-F387 HydrophobicContact CB-CD2 3.82Å; A361-F387 HydrophobicContact CB-CE2 3.34Å; A361-F387 HydrophobicContact CB-CZ 4.44Å; T366-F387 WeakPolarHBondContact O-CZ 3.41Å; I367-F387 HydrophobicContact CD1-CE2 4.47Å; I367-F387 HydrophobicContact CD1-CZ 4.42Å; I367-F387 HydrophobicContact CG1-CE1 4.4Å; I367-F387 HydrophobicContact CG1-CE2 3.63Å; I367-F387 HydrophobicContact CG1-CZ 3.51Å; A383-F387 HydrophobicContact CB-CD1 3.64Å; A383-F387 HydrophobicContact CB-CE1 3.19Å; A383-F387 HydrophobicContact CB-CZ 3.95Å; S385-F387 VanDerWaalsContact O-CD1 3.27Å; S385-F387 WeakPolarHBondContact O-CD1 3.43Å; F387-T401 HydrophobicContact CD2-CG2 4.24Å; F387-G402 CarbonylContact C-O 3.54Å; F387-G402 WeakPolarHBondContact CA-O 3.16Å; F387-G402 WeakPolarHBondContact CB-O 3.32Å; F387-H403 AromaticContact CD1-CE1 3.52Å; F387-H403 AromaticContact CD1-ND1 3.83Å; F387-H403 AromaticContact CG-CE1 3.83Å
388	Q	91.8	Very high	92.8	Very high	23 Å²	23	41.4 Å²	41.4	11%	0.107	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-29.1	177.2	-77.4	-66.3	14.9	0	0	113.3	G402 F404 I428 D473	Q388-G402 PolarHBondContact N-O 3.04Å; Q388-F404 HydrophobicContact CG-CD2 3.91Å; Q388-F404 HydrophobicContact CG-CE2 3.33Å; Q388-F404 HydrophobicContact CG-CZ 3.94Å; Q388-I428 WeakPolarHBondContact CG-O 3.43Å; Q388-D473 WeakPolarHBondContact CG-O 3.35Å; Q388-D473 PolarHBondContact NE2-O 3.3Å; Q388-D473 VanDerWaalsContact NE2-O 3.09Å
389	D	96.2	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	157	-172.4	-150.7	3.2	0	0	0	113.2	S348 K350 T401 G402 M431 R476	S348-D389 VanDerWaalsContact CB-OD1 3.23Å; S348-D389 WeakPolarHBondContact CB-OD1 3.38Å; S348-D389 PolarHBondContact OG-OD1 3.05Å; K350-D389 IonicContact NZ-OD1 2.97Å; D389-T401 WeakPolarHBondContact O-CA 3.46Å; D389-G402 PolarHBondContact O-N 2.97Å; D389-G402 VanDerWaalsContact O-N 3.11Å; D389-M431 HydrophobicContact CB-CB 4.49Å; D389-M431 HydrophobicContact CB-CE 4.18Å; D389-M431 HydrophobicContact CB-CG 4.47Å; D389-M431 WeakPolarHBondContact O-CE 3.47Å; D389-M431 PolarHBondContact OD2-N 3.46Å; D389-R476 IonicContact OD1-CZ 3.81Å; D389-R476 IonicContact OD1-NH1 3.78Å; D389-R476 PolarHBondContact OD1-NH1 2.91Å; D389-R476 IonicContact OD1-NH2 3.2Å; D389-R476 PolarHBondContact OD1-NH2 2.98Å; D389-R476 IonicContact OD2-CZ 2.67Å; D389-R476 IonicContact OD2-NH1 3.2Å; D389-R476 PolarHBondContact OD2-NH1 3.35Å
390	V	97.1	Very high	93	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	135.4	173.7	66.1	0	0	0	0	109.4	K350 V359 A361 L399 V400 T401	K350-V390 HydrophobicContact CG-CG1 4.46Å; K350-V390 WeakPolarHBondContact CG-O 3.49Å; V359-V390 HydrophobicContact CG1-CG1 4.32Å; V359-V390 HydrophobicContact CG1-CG2 4.32Å; V359-V390 HydrophobicContact CG2-CG2 4.15Å; A361-V390 HydrophobicContact CB-CB 4Å; A361-V390 HydrophobicContact CB-CG1 3.68Å; V390-L399 HydrophobicContact CG2-CB 4.49Å; V390-V400 CarbonylContact C-O 3.56Å; V390-V400 VanDerWaalsContact CA-O 3.31Å; V390-V400 WeakPolarHBondContact CA-O 3.4Å; V390-T401 HydrophobicContact CB-CG2 4.1Å; V390-T401 HydrophobicContact CG2-CG2 3.86Å
391	V	97	Very high	93.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	151.5	170	-59.1	0	0	0	0	109.2	V400 M431 I433 V440	V391-V400 HydrophobicContact CG2-CB 3.67Å; V391-V400 HydrophobicContact CG2-CG1 4.33Å; V391-V400 HydrophobicContact CG2-CG2 4.46Å; V391-V400 PolarHBondContact N-O 2.87Å; V391-V400 PolarHBondContact O-N 3.27Å; V391-M431 HydrophobicContact CG1-CB 4.08Å; V391-M431 HydrophobicContact CG1-CE 4.49Å; V391-M431 HydrophobicContact CG2-CE 4.26Å; V391-I433 HydrophobicContact CB-CB 4.39Å; V391-I433 HydrophobicContact CB-CG2 4.46Å; V391-I433 HydrophobicContact CG2-CB 4.31Å; V391-V440 HydrophobicContact CG2-CG2 4.29Å
392	V	96.7	Very high	93.2	Very high	17 Å²	17	27.5 Å²	27.5	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.1	-177.7	-177.8	0	0	0	0	108.3	K350 M352 V359 P394 L399	K350-V392 HydrophobicContact CB-CG2 3.86Å; M352-V392 HydrophobicContact CB-CG1 4.34Å; M352-V392 HydrophobicContact CG-CG1 4.25Å; M352-V392 HydrophobicContact CG-CG2 3.95Å; V359-V392 HydrophobicContact CG1-CG2 3.53Å; V392-P394 HydrophobicContact CG1-CG 4.27Å; V392-P394 WeakPolarHBondContact O-CD 3.26Å; V392-L399 HydrophobicContact CG1-CD2 4.38Å; V392-L399 HydrophobicContact CG2-CD2 4.06Å
393	C	95.2	Very high	93.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	90.6	174.7	-175.3	0	0	0	0	109.4	S395 M396 S397 A398 I433 F437 L454	C393-S395 VanDerWaalsContact C-N 3.29Å; C393-S395 PolarHBondContact O-N 2.96Å; C393-S395 PolarHBondContact SG-OG 3.39Å; C393-M396 PolarHBondContact O-N 3.05Å; C393-S397 PolarHBondContact O-N 3.45Å; C393-A398 PolarHBondContact N-O 3.44Å; C393-A398 PolarHBondContact O-N 3.26Å; C393-I433 HydrophobicContact CB-CD1 3.76Å; C393-F437 PolarHBondContact SG-O 3.26Å; C393-L454 HydrophobicContact CB-CD1 4.21Å
394	P	92.1	Very high	93.7	Very high	65 Å²	65	24 Å²	24	42%	0.422	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-63.8	-32.5	-177.6	-22.5	34.2	0	0	0	113.4	V392 M396 S397 F437	V392-P394 HydrophobicContact CG1-CG 4.27Å; V392-P394 WeakPolarHBondContact O-CD 3.26Å; P394-M396 PolarHBondContact O-N 3.03Å; P394-S397 PolarHBondContact O-N 2.88Å; P394-S397 VanDerWaalsContact O-N 3.1Å; P394-F437 HydrophobicContact CG-CD1 4.49Å; P394-F437 HydrophobicContact CG-CE1 4.26Å; P394-F437 HydrophobicContact CG-CZ 4.33Å
395	S	89.8	Confident	94.2	Very high	79 Å²	79	22.5 Å²	22.5	55%	0.552	13%	0.132	S	C	*	.	G	3₁₀ helix	trans	-59.7	-34.8	-179.4	60.7	0	0	0	0	112.5	C393 F437	C393-S395 VanDerWaalsContact C-N 3.29Å; C393-S395 PolarHBondContact O-N 2.96Å; C393-S395 PolarHBondContact SG-OG 3.39Å; S395-F437 PolarHBondContact OG-O 3.38Å
396	M	90.2	Very high	94.5	Very high	73 Å²	73	25.5 Å²	25.5	36%	0.36	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-99.6	-1.1	177.3	-68.3	174.5	48.4	0	0	113.5	C393 P394 A398 I410 L454	C393-M396 PolarHBondContact O-N 3.05Å; P394-M396 PolarHBondContact O-N 3.03Å; M396-A398 HydrophobicContact CB-CB 3.79Å; M396-A398 HydrophobicContact CE-CB 4.35Å; M396-A398 PolarHBondContact O-N 3.11Å; M396-I410 HydrophobicContact CE-CG2 4.01Å; M396-L454 HydrophobicContact SD-CB 3.77Å; M396-L454 HydrophobicContact SD-CD1 4.28Å
397	S	93.2	Very high	94.8	Very high	28 Å²	28	25 Å²	25	20%	0.196	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.2	45.6	-165.6	-155.9	0	0	0	0	111.1	C393 P394 E413	C393-S397 PolarHBondContact O-N 3.45Å; P394-S397 PolarHBondContact O-N 2.88Å; P394-S397 VanDerWaalsContact O-N 3.1Å; S397-E413 WeakPolarHBondContact O-CB 3.27Å; S397-E413 PolarHBondContact O-N 3.34Å; S397-E413 PolarHBondContact OG-OE2 3.4Å
398	A	95.1	Very high	95.2	Very high	4 Å²	4	25 Å²	25	3%	0.033	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.8	-171	0	0	0	0	0	112.7	C393 M396 I410 W411	C393-A398 PolarHBondContact N-O 3.44Å; C393-A398 PolarHBondContact O-N 3.26Å; M396-A398 HydrophobicContact CB-CB 3.79Å; M396-A398 HydrophobicContact CE-CB 4.35Å; M396-A398 PolarHBondContact O-N 3.11Å; A398-I410 HydrophobicContact CB-CG2 3.81Å; A398-W411 CarbonylContact C-O 3.59Å; A398-W411 WeakPolarHBondContact CA-O 3.4Å; A398-W411 WeakPolarHBondContact CB-O 3.42Å
399	L	96.5	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.4	172.5	-54.3	172.1	0	0	0	108.2	M352 V359 I367 I369 I381 V390 V392 I410 W411	M352-L399 HydrophobicContact SD-CD2 4.14Å; V359-L399 HydrophobicContact CB-CD2 4.19Å; V359-L399 HydrophobicContact CG1-CD2 4.19Å; V359-L399 HydrophobicContact CG2-CD1 3.84Å; V359-L399 HydrophobicContact CG2-CD2 4.07Å; I367-L399 HydrophobicContact CG2-CD1 4.06Å; I369-L399 HydrophobicContact CD1-CD1 4.03Å; I369-L399 HydrophobicContact CG1-CD1 4.22Å; I381-L399 HydrophobicContact CD1-CD1 4.24Å; V390-L399 HydrophobicContact CG2-CB 4.49Å; V392-L399 HydrophobicContact CG1-CD2 4.38Å; V392-L399 HydrophobicContact CG2-CD2 4.06Å; L399-I410 CarbonylContact O-C 3.56Å; L399-I410 WeakPolarHBondContact O-CA 3.47Å; L399-W411 HydrophobicContact CB-CB 4.29Å; L399-W411 PolarHBondContact N-O 2.93Å; L399-W411 PolarHBondContact O-N 3.07Å
400	V	97.3	Very high	95.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.2	177.8	-175.7	0	0	0	0	108.8	V390 V391 L408 R409 I410 M431 V440 L454	V390-V400 CarbonylContact C-O 3.56Å; V390-V400 VanDerWaalsContact CA-O 3.31Å; V390-V400 WeakPolarHBondContact CA-O 3.4Å; V391-V400 HydrophobicContact CG2-CB 3.67Å; V391-V400 HydrophobicContact CG2-CG1 4.33Å; V391-V400 HydrophobicContact CG2-CG2 4.46Å; V391-V400 PolarHBondContact N-O 2.87Å; V391-V400 PolarHBondContact O-N 3.27Å; V400-L408 HydrophobicContact CG1-CD1 3.92Å; V400-L408 HydrophobicContact CG1-CD2 3.35Å; V400-L408 HydrophobicContact CG1-CG 3.58Å; V400-R409 CarbonylContact C-O 3.53Å; V400-R409 WeakPolarHBondContact CA-O 3.2Å; V400-I410 HydrophobicContact CG2-CG1 4.22Å; V400-I410 HydrophobicContact CG2-CG2 4.4Å; V400-M431 HydrophobicContact CG1-CE 4.46Å; V400-M431 WeakPolarHBondContact O-CE 3.45Å; V400-V440 HydrophobicContact CG1-CG1 4.43Å; V400-V440 HydrophobicContact CG1-CG2 4.33Å; V400-V440 HydrophobicContact CG2-CG2 4.45Å; V400-L454 HydrophobicContact CG2-CD1 4.43Å; V400-L454 HydrophobicContact CG2-CD2 4.09Å
401	T	97.6	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140	-176.7	53.7	0	0	0	0	111.8	I367 F387 D389 V390 H403 L408 R409 W411 M431	I367-T401 HydrophobicContact CD1-CG2 3.6Å; I367-T401 HydrophobicContact CG1-CG2 4.27Å; F387-T401 HydrophobicContact CD2-CG2 4.24Å; D389-T401 WeakPolarHBondContact O-CA 3.46Å; V390-T401 HydrophobicContact CB-CG2 4.1Å; V390-T401 HydrophobicContact CG2-CG2 3.86Å; T401-H403 PolarHBondContact O-CD2 3.49Å; T401-H403 PolarHBondContact OG1-NE2 3.34Å; T401-L408 CarbonylContact O-C 3.52Å; T401-L408 WeakPolarHBondContact O-CA 3.16Å; T401-R409 PolarHBondContact N-O 2.87Å; T401-R409 PolarHBondContact O-N 2.74Å; T401-R409 PolarHBondContact OG1-O 2.96Å; T401-W411 PolarHBondContact OG1-NE1 3.3Å; T401-M431 VanDerWaalsContact C-CE 3.49Å
402	G	96.6	Very high	95.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.8	-178.4	0	0	0	0	0	111.3	F387 Q388 D389 M431	F387-G402 CarbonylContact C-O 3.54Å; F387-G402 WeakPolarHBondContact CA-O 3.16Å; F387-G402 WeakPolarHBondContact CB-O 3.32Å; Q388-G402 PolarHBondContact N-O 3.04Å; D389-G402 PolarHBondContact O-N 2.97Å; D389-G402 VanDerWaalsContact O-N 3.11Å; G402-M431 VanDerWaalsContact CA-SD 3.51Å; G402-M431 PolarHBondContact N-SD 2.89Å
403	H	96.9	Very high	95	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	155.7	-169.5	-63.3	-105	0	0	0	115.1	S385 F387 T401 D405 Q406 H407 R409 I428	S385-H403 PolarHBondContact OG-CE1 3.25Å; S385-H403 PolarHBondContact OG-ND1 3.01Å; F387-H403 AromaticContact CD1-CE1 3.52Å; F387-H403 AromaticContact CD1-ND1 3.83Å; F387-H403 AromaticContact CG-CE1 3.83Å; T401-H403 PolarHBondContact O-CD2 3.49Å; T401-H403 PolarHBondContact OG1-NE2 3.34Å; H403-D405 WeakPolarHBondContact CB-OD1 3.4Å; H403-D405 IonicContact CG-OD1 2.67Å; H403-D405 PolarHBondContact O-N 3.25Å; H403-Q406 PolarHBondContact O-N 2.88Å; H403-H407 VanDerWaalsContact CB-O 3.24Å; H403-H407 WeakPolarHBondContact CB-O 3.48Å; H403-H407 PolarHBondContact CD2-O 3.17Å; H403-H407 PolarHBondContact N-O 3.48Å; H403-R409 PolarHBondContact CD2-NH1 3.45Å; H403-R409 PolarHBondContact ND1-NH1 3.41Å; H403-R409 WeakPolarHBondContact NE2-CD 3.5Å; H403-I428 PolarHBondContact O-N 2.94Å; H403-I428 VanDerWaalsContact O-N 3.13Å
404	F	95.1	Very high	94.8	Very high	58 Å²	58	37.5 Å²	37.5	25%	0.254	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-21.8	170.7	-85.6	-103.4	0	0	0	113	T386 Q388 Q406 R427 D473	T386-F404 HydrophobicContact CG2-CD2 3.68Å; T386-F404 HydrophobicContact CG2-CE2 3.68Å; T386-F404 WeakPolarHBondContact O-CD2 3.21Å; T386-F404 PolarHBondContact O-N 3.47Å; Q388-F404 HydrophobicContact CG-CD2 3.91Å; Q388-F404 HydrophobicContact CG-CE2 3.33Å; Q388-F404 HydrophobicContact CG-CZ 3.94Å; F404-Q406 PolarHBondContact O-N 2.95Å; F404-R427 WeakPolarHBondContact O-CG 3.35Å; F404-D473 HydrophobicContact CZ-CB 4.42Å
405	D	95.4	Very high	94.8	Very high	56 Å²	56	36.9 Å²	36.9	30%	0.299	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	17.9	177.1	77	-19.9	0	0	0	112.7	H403 H407 R409 K421	H403-D405 WeakPolarHBondContact CB-OD1 3.4Å; H403-D405 IonicContact CG-OD1 2.67Å; H403-D405 PolarHBondContact O-N 3.25Å; D405-H407 PolarHBondContact O-CE1 3.25Å; D405-H407 PolarHBondContact O-N 3.33Å; D405-H407 PolarHBondContact O-ND1 3.44Å; D405-H407 IonicContact OD1-CG 3.46Å; D405-H407 PolarHBondContact OD1-N 2.94Å; D405-H407 IonicContact OD1-ND1 3.47Å; D405-H407 IonicContact OD2-ND1 2.79Å; D405-R409 IonicContact OD1-CZ 2.78Å; D405-R409 IonicContact OD1-NH1 2.65Å; D405-R409 PolarHBondContact OD1-NH1 2.9Å; D405-R409 IonicContact OD1-NH2 3.89Å; D405-R409 IonicContact OD2-CZ 2.65Å; D405-R409 IonicContact OD2-NH1 2.76Å; D405-R409 PolarHBondContact OD2-NH1 3.33Å; D405-R409 IonicContact OD2-NH2 2.81Å; D405-R409 PolarHBondContact OD2-NH2 3.46Å; D405-K421 IonicContact OD2-NZ 3.61Å
406	Q	96.1	Very high	94.9	Very high	79 Å²	79	33.8 Å²	33.8	37%	0.369	17%	0.165	S	C	.	.	S	Bend	trans	70.5	10.4	177.6	-43.7	176.5	-22	0	0	114.6	H403 F404 L423 L424 G426	H403-Q406 PolarHBondContact O-N 2.88Å; F404-Q406 PolarHBondContact O-N 2.95Å; Q406-L423 HydrophobicContact CB-CD1 3.99Å; Q406-L424 PolarHBondContact O-N 3.12Å; Q406-G426 WeakPolarHBondContact CA-O 3.33Å
407	H	96.7	Very high	95	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.176	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	135.9	-179.9	-62.6	82.8	0	0	0	112.1	H403 D405 K421 I422	H403-H407 VanDerWaalsContact CB-O 3.24Å; H403-H407 WeakPolarHBondContact CB-O 3.48Å; H403-H407 PolarHBondContact CD2-O 3.17Å; H403-H407 PolarHBondContact N-O 3.48Å; D405-H407 PolarHBondContact O-CE1 3.25Å; D405-H407 PolarHBondContact O-N 3.33Å; D405-H407 PolarHBondContact O-ND1 3.44Å; D405-H407 IonicContact OD1-CG 3.46Å; D405-H407 PolarHBondContact OD1-N 2.94Å; D405-H407 IonicContact OD1-ND1 3.47Å; D405-H407 IonicContact OD2-ND1 2.79Å; H407-K421 HydrophobicContact CB-CD 4.22Å; H407-K421 HydrophobicContact CB-CG 3.83Å; H407-K421 WeakPolarHBondContact CD2-CD 3.32Å; H407-K421 WeakPolarHBondContact CD2-CE 3.39Å; H407-K421 PolarHBondContact CD2-NZ 2.97Å; H407-K421 PolarHBondContact CE1-NZ 3.41Å; H407-K421 VanDerWaalsContact CG-NZ 3.32Å; H407-K421 PolarHBondContact ND1-NZ 2.98Å; H407-K421 PolarHBondContact NE2-NZ 2.88Å; H407-I422 CarbonylContact C-O 3.49Å; H407-I422 VanDerWaalsContact CA-O 3.26Å; H407-I422 WeakPolarHBondContact CA-O 3.35Å
408	L	96.9	Very high	94.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.6	161.5	-179	160.9	0	0	0	107.7	V400 T401 I410 K421 I422 L424 I428 M431 V440 V452	V400-L408 HydrophobicContact CG1-CD1 3.92Å; V400-L408 HydrophobicContact CG1-CD2 3.35Å; V400-L408 HydrophobicContact CG1-CG 3.58Å; T401-L408 CarbonylContact O-C 3.52Å; T401-L408 WeakPolarHBondContact O-CA 3.16Å; L408-I410 HydrophobicContact CD2-CG1 3.93Å; L408-K421 WeakPolarHBondContact O-CA 3.06Å; L408-I422 HydrophobicContact CB-CB 4.4Å; L408-I422 HydrophobicContact CD2-CD1 4.12Å; L408-I422 PolarHBondContact N-O 3.48Å; L408-I422 PolarHBondContact O-N 3.46Å; L408-L424 HydrophobicContact CB-CD1 4.37Å; L408-L424 HydrophobicContact CB-CG 4.44Å; L408-I428 HydrophobicContact CB-CD1 4Å; L408-M431 HydrophobicContact CD1-SD 4.16Å; L408-M431 HydrophobicContact CG-SD 4.39Å; L408-V440 HydrophobicContact CD1-CB 4.38Å; L408-V440 HydrophobicContact CD1-CG1 3.78Å; L408-V452 HydrophobicContact CD1-CB 4.45Å; L408-V452 HydrophobicContact CD1-CG2 4.2Å
409	R	96.2	Very high	94.7	Very high	19 Å²	19	42.3 Å²	42.3	7%	0.072	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.5	179.8	-68.7	178.7	-179.8	69.4	-4.9	110.6	S385 V400 T401 H403 D405 W411 N420 K421	S385-R409 PolarHBondContact OG-NH1 3.08Å; S385-R409 VanDerWaalsContact OG-NH1 3.16Å; S385-R409 PolarHBondContact OG-NH2 3.28Å; V400-R409 CarbonylContact C-O 3.53Å; V400-R409 WeakPolarHBondContact CA-O 3.2Å; T401-R409 PolarHBondContact N-O 2.87Å; T401-R409 PolarHBondContact O-N 2.74Å; T401-R409 PolarHBondContact OG1-O 2.96Å; H403-R409 PolarHBondContact CD2-NH1 3.45Å; H403-R409 PolarHBondContact ND1-NH1 3.41Å; H403-R409 WeakPolarHBondContact NE2-CD 3.5Å; D405-R409 IonicContact OD1-CZ 2.78Å; D405-R409 IonicContact OD1-NH1 2.65Å; D405-R409 PolarHBondContact OD1-NH1 2.9Å; D405-R409 IonicContact OD1-NH2 3.89Å; D405-R409 IonicContact OD2-CZ 2.65Å; D405-R409 IonicContact OD2-NH1 2.76Å; D405-R409 PolarHBondContact OD2-NH1 3.33Å; D405-R409 IonicContact OD2-NH2 2.81Å; D405-R409 PolarHBondContact OD2-NH2 3.46Å; R409-W411 HydrophobicContact CB-CZ2 4.03Å; R409-W411 HydrophobicContact CG-CZ2 4.44Å; R409-N420 WeakPolarHBondContact CA-O 3.39Å; R409-K421 HydrophobicContact CG-CG 4.1Å; R409-K421 VanDerWaalsContact NH2-CE 3.29Å
410	I	96.4	Very high	94.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	123.8	176.3	-52	-179	0	0	0	107.7	M396 A398 L399 V400 L408 N418 T419 N420 I422 L454 N457	M396-I410 HydrophobicContact CE-CG2 4.01Å; A398-I410 HydrophobicContact CB-CG2 3.81Å; L399-I410 CarbonylContact O-C 3.56Å; L399-I410 WeakPolarHBondContact O-CA 3.47Å; V400-I410 HydrophobicContact CG2-CG1 4.22Å; V400-I410 HydrophobicContact CG2-CG2 4.4Å; L408-I410 HydrophobicContact CD2-CG1 3.93Å; I410-N418 CarbonylContact O-C 3.59Å; I410-N418 PolarHBondContact O-OD1 3.41Å; I410-N418 VanDerWaalsContact O-OD1 3.13Å; I410-T419 PolarHBondContact O-N 2.65Å; I410-N420 HydrophobicContact CB-CB 4.27Å; I410-N420 HydrophobicContact CD1-CB 4.12Å; I410-N420 HydrophobicContact CG1-CB 4.34Å; I410-N420 PolarHBondContact N-O 3.48Å; I410-N420 PolarHBondContact O-N 2.81Å; I410-I422 HydrophobicContact CD1-CD1 4.39Å; I410-L454 HydrophobicContact CD1-CD2 3.79Å; I410-L454 HydrophobicContact CG1-CD2 4.5Å; I410-N457 WeakPolarHBondContact CD1-OD1 3.26Å
411	W	95.9	Very high	94.5	Very high	13 Å²	13	49.9 Å²	49.9	5%	0.049	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.5	-179.2	-50	86.4	0	0	0	109.6	I367 I381 A383 A398 L399 T401 R409 E413 E417 N418	I367-W411 HydrophobicContact CD1-CD2 4.21Å; I367-W411 HydrophobicContact CD1-CG 4.22Å; I367-W411 HydrophobicContact CD1-CZ2 4.43Å; I381-W411 HydrophobicContact CG2-CD2 4.07Å; I381-W411 HydrophobicContact CG2-CE3 3.48Å; I381-W411 VanDerWaalsContact CG2-CE3 3.48Å; I381-W411 HydrophobicContact CG2-CH2 4.48Å; I381-W411 HydrophobicContact CG2-CZ3 3.7Å; A383-W411 HydrophobicContact CB-CH2 4.18Å; A383-W411 HydrophobicContact CB-CZ2 3.81Å; A398-W411 CarbonylContact C-O 3.59Å; A398-W411 WeakPolarHBondContact CA-O 3.4Å; A398-W411 WeakPolarHBondContact CB-O 3.42Å; L399-W411 HydrophobicContact CB-CB 4.29Å; L399-W411 PolarHBondContact N-O 2.93Å; L399-W411 PolarHBondContact O-N 3.07Å; T401-W411 PolarHBondContact OG1-NE1 3.3Å; R409-W411 HydrophobicContact CB-CZ2 4.03Å; R409-W411 HydrophobicContact CG-CZ2 4.44Å; W411-E413 PolarHBondContact O-N 3.32Å; W411-E417 VanDerWaalsContact CA-O 3.32Å; W411-E417 WeakPolarHBondContact CA-O 3.47Å; W411-N418 HydrophobicContact CD2-CB 4.42Å; W411-N418 HydrophobicContact CE3-CB 3.76Å; W411-N418 HydrophobicContact CH2-CB 4.01Å; W411-N418 HydrophobicContact CZ3-CB 3.56Å
412	D	94.8	Very high	94.5	Very high	46 Å²	46	50.4 Å²	50.4	25%	0.246	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128	169.1	-179.6	-88.7	0	0	0	109.6	R414 S415 G416 E417 T419	D412-R414 VanDerWaalsContact C-N 3.27Å; D412-R414 PolarHBondContact O-N 3.47Å; D412-R414 WeakPolarHBondContact OD1-CA 3.42Å; D412-R414 WeakPolarHBondContact OD1-CB 3.42Å; D412-R414 PolarHBondContact OD1-N 2.69Å; D412-S415 WeakPolarHBondContact CB-OG 3.49Å; D412-S415 PolarHBondContact OD1-N 3.4Å; D412-S415 PolarHBondContact OD1-OG 3.37Å; D412-G416 WeakPolarHBondContact O-CA 3.25Å; D412-G416 PolarHBondContact O-N 2.89Å; D412-E417 PolarHBondContact N-O 2.88Å; D412-T419 PolarHBondContact N-OG1 2.99Å
413	E	91.7	Very high	94.5	Very high	37 Å²	37	55.5 Å²	55.5	17%	0.173	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.4	-177.6	-176.6	-164.2	159.1	0	0	111.7	R357 I369 S397 W411	R357-E413 IonicContact NH1-OE1 3.32Å; I369-E413 HydrophobicContact CD1-CG 4.03Å; S397-E413 WeakPolarHBondContact O-CB 3.27Å; S397-E413 PolarHBondContact O-N 3.34Å; S397-E413 PolarHBondContact OG-OE2 3.4Å; W411-E413 PolarHBondContact O-N 3.32Å
414	R	91.1	Very high	94.5	Very high	192 Å²	192	55.7 Å²	55.7	73%	0.725	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-50.9	-171.2	-60.7	-178.7	179.6	-175.1	-0	111.4	R379 D412	R379-R414 PolarHBondContact NE-O 2.95Å; R379-R414 PolarHBondContact NH2-O 3.25Å; D412-R414 VanDerWaalsContact C-N 3.27Å; D412-R414 PolarHBondContact O-N 3.47Å; D412-R414 WeakPolarHBondContact OD1-CA 3.42Å; D412-R414 WeakPolarHBondContact OD1-CB 3.42Å; D412-R414 PolarHBondContact OD1-N 2.69Å
415	S	91.6	Very high	94.5	Very high	53 Å²	53	55.1 Å²	55.1	37%	0.371	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-33.6	-179.9	73.9	0	0	0	0	111.7	D412 E417	D412-S415 WeakPolarHBondContact CB-OG 3.49Å; D412-S415 PolarHBondContact OD1-N 3.4Å; D412-S415 PolarHBondContact OD1-OG 3.37Å; S415-E417 WeakPolarHBondContact OG-CB 3.36Å; S415-E417 PolarHBondContact OG-N 2.91Å; S415-E417 VanDerWaalsContact OG-N 3.08Å
416	G	91.3	Very high	94.5	Very high	14 Å²	14	52.4 Å²	52.4	14%	0.144	26%	0.263	C	S	.	.			trans	75.8	10.7	-170.2	0	0	0	0	0	113.5	I381 D412	I381-G416 WeakPolarHBondContact CG2-O 3.39Å; D412-G416 WeakPolarHBondContact O-CA 3.25Å; D412-G416 PolarHBondContact O-N 2.89Å
417	E	92.6	Very high	94.5	Very high	138 Å²	138	54.5 Å²	54.5	65%	0.645	27%	0.267	S	S	*	.			trans	-80.8	149.1	177.1	-65.5	-175.4	164.8	0	0	111.2	W411 D412 S415 T419	W411-E417 VanDerWaalsContact CA-O 3.32Å; W411-E417 WeakPolarHBondContact CA-O 3.47Å; D412-E417 PolarHBondContact N-O 2.88Å; S415-E417 WeakPolarHBondContact OG-CB 3.36Å; S415-E417 PolarHBondContact OG-N 2.91Å; S415-E417 VanDerWaalsContact OG-N 3.08Å; E417-T419 PolarHBondContact O-N 2.91Å
418	N	91	Very high	94.6	Very high	66 Å²	66	52.8 Å²	52.8	35%	0.353	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	107.8	171.3	-174	10.9	0	0	0	109.1	I410 W411 N420	I410-N418 CarbonylContact O-C 3.59Å; I410-N418 PolarHBondContact O-OD1 3.41Å; I410-N418 VanDerWaalsContact O-OD1 3.13Å; W411-N418 HydrophobicContact CD2-CB 4.42Å; W411-N418 HydrophobicContact CE3-CB 3.76Å; W411-N418 HydrophobicContact CH2-CB 4.01Å; W411-N418 HydrophobicContact CZ3-CB 3.56Å; N418-N420 PolarHBondContact OD1-O 2.9Å; N418-N420 VanDerWaalsContact OD1-O 3.05Å
419	T	91.4	Very high	94.6	Very high	80 Å²	80	52.9 Å²	52.9	49%	0.491	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-46.9	-179.1	-45.9	0	0	0	0	111.5	I410 D412 E417	I410-T419 PolarHBondContact O-N 2.65Å; D412-T419 PolarHBondContact N-OG1 2.99Å; E417-T419 PolarHBondContact O-N 2.91Å
420	N	94.2	Very high	94.6	Very high	58 Å²	58	52 Å²	52	31%	0.31	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	148.9	-173.3	-76.6	-49.8	0	0	0	112.1	R409 I410 N418 N457	R409-N420 WeakPolarHBondContact CA-O 3.39Å; I410-N420 HydrophobicContact CB-CB 4.27Å; I410-N420 HydrophobicContact CD1-CB 4.12Å; I410-N420 HydrophobicContact CG1-CB 4.34Å; I410-N420 PolarHBondContact N-O 3.48Å; I410-N420 PolarHBondContact O-N 2.81Å; N418-N420 PolarHBondContact OD1-O 2.9Å; N418-N420 VanDerWaalsContact OD1-O 3.05Å; N420-N457 PolarHBondContact ND2-ND2 3.36Å; N420-N457 PolarHBondContact ND2-OD1 2.91Å
421	K	94.9	Very high	94.7	Very high	101 Å²	101	52.3 Å²	52.3	44%	0.439	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	118.3	177.9	-162.5	-164.4	-159.9	-149.4	0	109.4	D405 H407 L408 R409	D405-K421 IonicContact OD2-NZ 3.61Å; H407-K421 HydrophobicContact CB-CD 4.22Å; H407-K421 HydrophobicContact CB-CG 3.83Å; H407-K421 WeakPolarHBondContact CD2-CD 3.32Å; H407-K421 WeakPolarHBondContact CD2-CE 3.39Å; H407-K421 PolarHBondContact CD2-NZ 2.97Å; H407-K421 PolarHBondContact CE1-NZ 3.41Å; H407-K421 VanDerWaalsContact CG-NZ 3.32Å; H407-K421 PolarHBondContact ND1-NZ 2.98Å; H407-K421 PolarHBondContact NE2-NZ 2.88Å; L408-K421 WeakPolarHBondContact O-CA 3.06Å; R409-K421 HydrophobicContact CG-CG 4.1Å; R409-K421 VanDerWaalsContact NH2-CE 3.29Å
422	I	97.1	Very high	94.8	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.056	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.1	-177.4	-54.2	175.5	0	0	0	107.9	H407 L408 I410 L424 V452 N457 V459	H407-I422 CarbonylContact C-O 3.49Å; H407-I422 VanDerWaalsContact CA-O 3.26Å; H407-I422 WeakPolarHBondContact CA-O 3.35Å; L408-I422 HydrophobicContact CB-CB 4.4Å; L408-I422 HydrophobicContact CD2-CD1 4.12Å; L408-I422 PolarHBondContact N-O 3.48Å; L408-I422 PolarHBondContact O-N 3.46Å; I410-I422 HydrophobicContact CD1-CD1 4.39Å; I422-L424 HydrophobicContact CG2-CD2 4.19Å; I422-V452 HydrophobicContact CD1-CG1 3.45Å; I422-V452 VanDerWaalsContact CD1-CG1 3.45Å; I422-V452 HydrophobicContact CG2-CG1 4.26Å; I422-N457 HydrophobicContact CD1-CB 3.78Å; I422-N457 HydrophobicContact CG1-CB 4.15Å; I422-V459 HydrophobicContact CG2-CG2 4.38Å
423	L	97.3	Very high	94.9	Very high	106 Å²	106	51.6 Å²	51.6	56%	0.555	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.3	177.2	178.1	64.8	0	0	0	109.6	Q406	Q406-L423 HydrophobicContact CB-CD1 3.99Å
424	L	97.1	Very high	95.1	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.247	C	C	.	.			trans	-102.1	170.2	173.1	-59.6	-164.4	0	0	0	110.4	Q406 L408 I422 G426 I428 A442 T444 E450 V452 V459	Q406-L424 PolarHBondContact O-N 3.12Å; L408-L424 HydrophobicContact CB-CD1 4.37Å; L408-L424 HydrophobicContact CB-CG 4.44Å; I422-L424 HydrophobicContact CG2-CD2 4.19Å; L424-G426 VanDerWaalsContact C-N 3.27Å; L424-G426 PolarHBondContact O-N 3.33Å; L424-I428 HydrophobicContact CD1-CD1 3.5Å; L424-I428 HydrophobicContact CD1-CG1 3.85Å; L424-I428 HydrophobicContact CG-CD1 4.14Å; L424-A442 HydrophobicContact CD1-CB 3.39Å; L424-T444 HydrophobicContact CB-CG2 4.45Å; L424-E450 VanDerWaalsContact CA-OE2 3.27Å; L424-E450 WeakPolarHBondContact CA-OE2 3.5Å; L424-E450 WeakPolarHBondContact CB-OE2 3.37Å; L424-E450 HydrophobicContact CD2-CB 4.47Å; L424-E450 WeakPolarHBondContact CD2-OE2 3.36Å; L424-V452 HydrophobicContact CD2-CG2 3.8Å; L424-V459 HydrophobicContact CD2-CG2 3.47Å; L424-V459 VanDerWaalsContact CD2-CG2 3.47Å
425	S	95.2	Very high	95.1	Very high	45 Å²	45	44.1 Å²	44.1	32%	0.315	24%	0.236	S	C	.	.	S	Bend	trans	-67.1	-26.8	-175	71.8	0	0	0	0	114.1	N446 T448 E450	S425-N446 VanDerWaalsContact C-ND2 3.27Å; S425-N446 PolarHBondContact O-ND2 3.49Å; S425-T448 PolarHBondContact OG-OG1 3.01Å; S425-E450 WeakPolarHBondContact CB-OE1 3.35Å; S425-E450 PolarHBondContact N-OE1 2.89Å; S425-E450 PolarHBondContact N-OE2 3.3Å; S425-E450 PolarHBondContact OG-OE1 3.5Å
426	G	95.4	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-155.3	-176.7	-173.1	0	0	0	0	0	113.6	Q406 L424 I428	Q406-G426 WeakPolarHBondContact CA-O 3.33Å; L424-G426 VanDerWaalsContact C-N 3.27Å; L424-G426 PolarHBondContact O-N 3.33Å; G426-I428 PolarHBondContact O-N 2.87Å
427	R	96.5	Very high	95.3	Very high	123 Å²	123	48.7 Å²	48.7	46%	0.464	25%	0.25	S	C	.	.			trans	-62.5	133.1	179.6	-50.7	-171.9	173.9	159.6	0.7	109.7	F404 T444 R445	F404-R427 WeakPolarHBondContact O-CG 3.35Å; R427-T444 CarbonylContact O-C 3.57Å; R427-T444 VanDerWaalsContact O-CA 3.22Å; R427-T444 WeakPolarHBondContact O-CA 3.41Å; R427-R445 HydrophobicContact CB-CB 4.13Å; R427-R445 HydrophobicContact CB-CG 3.93Å; R427-R445 PolarHBondContact O-N 2.96Å
428	I	97.9	Very high	95.4	Very high	2 Å²	2	44.9 Å²	44.9	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	127.3	-176.9	-55.4	173.5	0	0	0	109.4	Q388 H403 L408 L424 G426 M431 A442 C443	Q388-I428 WeakPolarHBondContact CG-O 3.43Å; H403-I428 PolarHBondContact O-N 2.94Å; H403-I428 VanDerWaalsContact O-N 3.13Å; L408-I428 HydrophobicContact CB-CD1 4Å; L424-I428 HydrophobicContact CD1-CD1 3.5Å; L424-I428 HydrophobicContact CD1-CG1 3.85Å; L424-I428 HydrophobicContact CG-CD1 4.14Å; G426-I428 PolarHBondContact O-N 2.87Å; I428-M431 HydrophobicContact CG2-CG 3.73Å; I428-M431 HydrophobicContact CG2-SD 4.22Å; I428-A442 HydrophobicContact CG2-CB 4.28Å; I428-C443 CarbonylContact C-O 3.49Å; I428-C443 WeakPolarHBondContact CA-O 3.43Å
429	T	96.7	Very high	95.7	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-26.9	-178.2	62.8	0	0	0	0	113.3	C443 R445 T470 L472 D473 I474 V475	T429-C443 PolarHBondContact N-O 2.93Å; T429-C443 WeakPolarHBondContact OG1-CB 3.37Å; T429-C443 PolarHBondContact OG1-O 2.81Å; T429-C443 PolarHBondContact OG1-SG 3.49Å; T429-R445 HydrophobicContact CG2-CG 3.59Å; T429-T470 HydrophobicContact CG2-CG2 3.74Å; T429-L472 WeakPolarHBondContact CG2-O 3.39Å; T429-D473 WeakPolarHBondContact CA-O 3.39Å; T429-I474 CarbonylContact O-C 3.45Å; T429-I474 WeakPolarHBondContact O-CA 3.3Å; T429-V475 CarbonylContact C-O 3.52Å; T429-V475 PolarHBondContact OG1-O 2.92Å
430	G	96.8	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	159.7	-178.2	0	0	0	0	0	110.4	C443 V475	G430-C443 PolarHBondContact O-N 3.42Å; G430-V475 VanDerWaalsContact CA-O 3.3Å; G430-V475 WeakPolarHBondContact CA-O 3.35Å; G430-V475 PolarHBondContact N-O 3.48Å
431	M	97.9	Very high	96.2	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	159.3	-177.4	-59.7	-175.2	-52.2	0	0	111.7	D389 V391 V400 T401 G402 L408 I428 V440 L441 A442	D389-M431 HydrophobicContact CB-CB 4.49Å; D389-M431 HydrophobicContact CB-CE 4.18Å; D389-M431 HydrophobicContact CB-CG 4.47Å; D389-M431 WeakPolarHBondContact O-CE 3.47Å; D389-M431 PolarHBondContact OD2-N 3.46Å; V391-M431 HydrophobicContact CG1-CB 4.08Å; V391-M431 HydrophobicContact CG1-CE 4.49Å; V391-M431 HydrophobicContact CG2-CE 4.26Å; V400-M431 HydrophobicContact CG1-CE 4.46Å; V400-M431 WeakPolarHBondContact O-CE 3.45Å; T401-M431 VanDerWaalsContact C-CE 3.49Å; G402-M431 VanDerWaalsContact CA-SD 3.51Å; G402-M431 PolarHBondContact N-SD 2.89Å; L408-M431 HydrophobicContact CD1-SD 4.16Å; L408-M431 HydrophobicContact CG-SD 4.39Å; I428-M431 HydrophobicContact CG2-CG 3.73Å; I428-M431 HydrophobicContact CG2-SD 4.22Å; M431-V440 HydrophobicContact CB-CG1 4.41Å; M431-V440 HydrophobicContact SD-CG1 4.31Å; M431-L441 CarbonylContact C-O 3.06Å; M431-L441 WeakPolarHBondContact CA-O 3.49Å; M431-L441 WeakPolarHBondContact CB-O 3.28Å; M431-A442 HydrophobicContact CG-CB 4.22Å
432	D	97.7	Very high	96.4	Very high	21 Å²	21	31.7 Å²	31.7	11%	0.112	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	163.5	167.6	-165.6	25.3	0	0	0	110	V440 L441 P477 C478 F479	D432-V440 CarbonylContact O-C 3.49Å; D432-V440 WeakPolarHBondContact O-CA 3.27Å; D432-L441 PolarHBondContact N-O 3.36Å; D432-L441 PolarHBondContact O-N 2.77Å; D432-P477 WeakPolarHBondContact CB-O 3.43Å; D432-C478 WeakPolarHBondContact OD2-CA 3.27Å; D432-F479 HydrophobicContact CB-CD2 4.3Å; D432-F479 PolarHBondContact OD2-N 3.37Å
433	I	97.1	Very high	96.4	Very high	24 Å²	24	31.1 Å²	31.1	12%	0.123	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	141.7	179.6	-167.5	165.8	0	0	0	109.7	V391 C393 F437 T439 V440 L454	V391-I433 HydrophobicContact CB-CB 4.39Å; V391-I433 HydrophobicContact CB-CG2 4.46Å; V391-I433 HydrophobicContact CG2-CB 4.31Å; C393-I433 HydrophobicContact CB-CD1 3.76Å; I433-F437 HydrophobicContact CD1-CB 4.29Å; I433-F437 HydrophobicContact CD1-CD1 4.06Å; I433-F437 HydrophobicContact CG1-CD1 4.36Å; I433-F437 HydrophobicContact CG2-CD1 4.3Å; I433-T439 WeakPolarHBondContact CG1-O 3.37Å; I433-V440 HydrophobicContact CB-CG2 4.35Å; I433-V440 HydrophobicContact CD1-CG2 4.16Å; I433-V440 HydrophobicContact CG1-CG2 4Å; I433-L454 HydrophobicContact CD1-CD1 4.09Å
434	S	95.6	Very high	96.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.139	C	C	.	.			trans	-64.1	155.6	176.8	56.1	0	0	0	0	111.6	D436 F437 T438 T439 S483	S434-D436 VanDerWaalsContact CB-OD1 3.24Å; S434-D436 WeakPolarHBondContact CB-OD1 3.43Å; S434-D436 PolarHBondContact O-N 3.05Å; S434-D436 PolarHBondContact OG-OD1 2.81Å; S434-F437 WeakPolarHBondContact O-CA 3.29Å; S434-F437 PolarHBondContact O-N 2.9Å; S434-T438 PolarHBondContact OG-N 2.88Å; S434-T439 WeakPolarHBondContact CB-OG1 3.43Å; S434-T439 PolarHBondContact N-O 3.31Å; S434-T439 PolarHBondContact OG-N 3.49Å; S434-T439 PolarHBondContact OG-O 3.33Å; S434-T439 PolarHBondContact OG-OG1 3.37Å; S434-S483 WeakPolarHBondContact CB-OG 3.35Å
435	S	92.4	Very high	96.4	Very high	70 Å²	70	30 Å²	30	49%	0.49	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.8	-176.7	51	0	0	0	0	113.9	F437 P481	S435-F437 VanDerWaalsContact C-N 3.35Å; S435-P481 WeakPolarHBondContact CB-O 3.22Å; S435-P481 PolarHBondContact OG-O 2.96Å
436	D	92.5	Very high	96.4	Very high	87 Å²	87	32.1 Å²	32.1	47%	0.465	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-2.8	173.6	70.6	-14.2	0	0	0	113.7	S434 T438	S434-D436 VanDerWaalsContact CB-OD1 3.24Å; S434-D436 WeakPolarHBondContact CB-OD1 3.43Å; S434-D436 PolarHBondContact O-N 3.05Å; S434-D436 PolarHBondContact OG-OD1 2.81Å; D436-T438 VanDerWaalsContact C-N 3.25Å; D436-T438 HydrophobicContact CB-CG2 4.28Å; D436-T438 PolarHBondContact O-N 2.84Å; D436-T438 PolarHBondContact OD1-N 2.89Å; D436-T438 VanDerWaalsContact OD1-N 3.11Å; D436-T438 PolarHBondContact OD1-OG1 3.4Å; D436-T438 WeakPolarHBondContact OD2-CB 3.31Å; D436-T438 VanDerWaalsContact OD2-CG2 3.24Å; D436-T438 WeakPolarHBondContact OD2-CG2 3.34Å; D436-T438 PolarHBondContact OD2-OG1 3Å
437	F	94.7	Very high	96.4	Very high	77 Å²	77	34.9 Å²	34.9	34%	0.338	18%	0.175	S	C	.	.	S	Bend	trans	58.1	30.1	-177.7	-48.1	-73.3	0	0	0	114.6	C393 P394 S395 I433 S434 S435	C393-F437 PolarHBondContact SG-O 3.26Å; P394-F437 HydrophobicContact CG-CD1 4.49Å; P394-F437 HydrophobicContact CG-CE1 4.26Å; P394-F437 HydrophobicContact CG-CZ 4.33Å; S395-F437 PolarHBondContact OG-O 3.38Å; I433-F437 HydrophobicContact CD1-CB 4.29Å; I433-F437 HydrophobicContact CD1-CD1 4.06Å; I433-F437 HydrophobicContact CG1-CD1 4.36Å; I433-F437 HydrophobicContact CG2-CD1 4.3Å; S434-F437 WeakPolarHBondContact O-CA 3.29Å; S434-F437 PolarHBondContact O-N 2.9Å; S435-F437 VanDerWaalsContact C-N 3.35Å
438	T	94.9	Very high	96.5	Very high	58 Å²	58	29 Å²	29	36%	0.356	15%	0.154	S	C	.	.	S	Bend	trans	-102.4	-27.3	178.5	68.2	0	0	0	0	113.3	S434 D436 L454	S434-T438 PolarHBondContact OG-N 2.88Å; D436-T438 VanDerWaalsContact C-N 3.25Å; D436-T438 HydrophobicContact CB-CG2 4.28Å; D436-T438 PolarHBondContact O-N 2.84Å; D436-T438 PolarHBondContact OD1-N 2.89Å; D436-T438 VanDerWaalsContact OD1-N 3.11Å; D436-T438 PolarHBondContact OD1-OG1 3.4Å; D436-T438 WeakPolarHBondContact OD2-CB 3.31Å; D436-T438 VanDerWaalsContact OD2-CG2 3.24Å; D436-T438 WeakPolarHBondContact OD2-CG2 3.34Å; D436-T438 PolarHBondContact OD2-OG1 3Å; T438-L454 WeakPolarHBondContact O-CB 3.3Å; T438-L454 PolarHBondContact O-N 2.98Å
439	T	96.5	Very high	96.5	Very high	27 Å²	27	29 Å²	29	17%	0.166	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146	-175.9	66	0	0	0	0	112.2	I433 S434 I451 V452	I433-T439 WeakPolarHBondContact CG1-O 3.37Å; S434-T439 WeakPolarHBondContact CB-OG1 3.43Å; S434-T439 PolarHBondContact N-O 3.31Å; S434-T439 PolarHBondContact OG-N 3.49Å; S434-T439 PolarHBondContact OG-O 3.33Å; S434-T439 PolarHBondContact OG-OG1 3.37Å; T439-I451 HydrophobicContact CG2-CG2 4.46Å; T439-V452 CarbonylContact C-O 3.55Å; T439-V452 VanDerWaalsContact CA-O 3.24Å; T439-V452 WeakPolarHBondContact CA-O 3.23Å
440	V	97.9	Very high	96.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132	175	170.1	0	0	0	0	109.1	V391 V400 L408 M431 D432 I433 I451 V452 L454	V391-V440 HydrophobicContact CG2-CG2 4.29Å; V400-V440 HydrophobicContact CG1-CG1 4.43Å; V400-V440 HydrophobicContact CG1-CG2 4.33Å; V400-V440 HydrophobicContact CG2-CG2 4.45Å; L408-V440 HydrophobicContact CD1-CB 4.38Å; L408-V440 HydrophobicContact CD1-CG1 3.78Å; M431-V440 HydrophobicContact CB-CG1 4.41Å; M431-V440 HydrophobicContact SD-CG1 4.31Å; D432-V440 CarbonylContact O-C 3.49Å; D432-V440 WeakPolarHBondContact O-CA 3.27Å; I433-V440 HydrophobicContact CB-CG2 4.35Å; I433-V440 HydrophobicContact CD1-CG2 4.16Å; I433-V440 HydrophobicContact CG1-CG2 4Å; V440-I451 CarbonylContact O-C 3.56Å; V440-V452 PolarHBondContact N-O 3.31Å; V440-V452 PolarHBondContact O-N 3.04Å; V440-L454 HydrophobicContact CB-CD2 4.37Å; V440-L454 HydrophobicContact CG2-CD1 3.82Å; V440-L454 HydrophobicContact CG2-CD2 3.74Å; V440-L454 HydrophobicContact CG2-CG 3.93Å
441	L	98.4	Very high	96.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.8	171.2	-180	65.2	0	0	0	108.6	M431 D432 L449 I451 P477 F479 V486	M431-L441 CarbonylContact C-O 3.06Å; M431-L441 WeakPolarHBondContact CA-O 3.49Å; M431-L441 WeakPolarHBondContact CB-O 3.28Å; D432-L441 PolarHBondContact N-O 3.36Å; D432-L441 PolarHBondContact O-N 2.77Å; L441-L449 HydrophobicContact CD1-CB 3.96Å; L441-L449 HydrophobicContact CD1-CD1 4.47Å; L441-L449 HydrophobicContact CD1-CD2 4.5Å; L441-I451 HydrophobicContact CD1-CG1 4Å; L441-P477 HydrophobicContact CD2-CB 3.63Å; L441-P477 HydrophobicContact CD2-CG 3.93Å; L441-P477 HydrophobicContact CG-CB 4.05Å; L441-P477 HydrophobicContact CG-CG 3.9Å; L441-F479 HydrophobicContact CB-CD2 3.97Å; L441-F479 HydrophobicContact CB-CE1 4.38Å; L441-F479 HydrophobicContact CB-CE2 3.33Å; L441-F479 HydrophobicContact CB-CZ 3.57Å; L441-F479 HydrophobicContact CD2-CD2 4.46Å; L441-V486 HydrophobicContact CD1-CB 4.27Å; L441-V486 HydrophobicContact CD1-CG1 3.99Å; L441-V486 HydrophobicContact CD1-CG2 4.46Å; L441-V486 HydrophobicContact CD2-CB 3.76Å; L441-V486 HydrophobicContact CD2-CG1 3.63Å; L441-V486 HydrophobicContact CG-CG1 4.38Å
442	A	98.1	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130	175.7	0	0	0	0	0	110.4	L424 I428 M431 L449 E450	L424-A442 HydrophobicContact CD1-CB 3.39Å; I428-A442 HydrophobicContact CG2-CB 4.28Å; M431-A442 HydrophobicContact CG-CB 4.22Å; A442-L449 CarbonylContact O-C 3.53Å; A442-L449 WeakPolarHBondContact O-CA 3.33Å; A442-E450 PolarHBondContact N-O 2.88Å; A442-E450 PolarHBondContact O-N 2.97Å
443	C	97.9	Very high	96.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.9	169.6	-174.2	0	0	0	0	110.1	I428 T429 G430 L449 P477	I428-C443 CarbonylContact C-O 3.49Å; I428-C443 WeakPolarHBondContact CA-O 3.43Å; T429-C443 PolarHBondContact N-O 2.93Å; T429-C443 WeakPolarHBondContact OG1-CB 3.37Å; T429-C443 PolarHBondContact OG1-O 2.81Å; T429-C443 PolarHBondContact OG1-SG 3.49Å; G430-C443 PolarHBondContact O-N 3.42Å; C443-L449 HydrophobicContact CB-CD2 3.57Å; C443-P477 HydrophobicContact CB-CB 4.3Å; C443-P477 HydrophobicContact CB-CG 3.8Å
444	T	97.6	Very high	96.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	157	-178.5	86.6	0	0	0	0	112.6	L424 R427 N446 N447 T448 T470	L424-T444 HydrophobicContact CB-CG2 4.45Å; R427-T444 CarbonylContact O-C 3.57Å; R427-T444 VanDerWaalsContact O-CA 3.22Å; R427-T444 WeakPolarHBondContact O-CA 3.41Å; T444-N446 PolarHBondContact O-N 3.31Å; T444-N446 PolarHBondContact OG1-N 3.32Å; T444-N446 VanDerWaalsContact OG1-N 3.12Å; T444-N447 PolarHBondContact O-N 3.49Å; T444-T448 WeakPolarHBondContact CG2-OG1 3.33Å; T444-T448 PolarHBondContact N-O 3.31Å; T444-T448 PolarHBondContact OG1-OG1 3.43Å; T444-T470 WeakPolarHBondContact O-CB 3.27Å; T444-T470 PolarHBondContact O-OG1 3.48Å
445	R	96	Very high	96.3	Very high	88 Å²	88	38 Å²	38	33%	0.332	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-2.5	170	-70.8	-59.1	-56.5	-75.7	1.4	114.5	R427 T429 N447 T470 D473	R427-R445 HydrophobicContact CB-CB 4.13Å; R427-R445 HydrophobicContact CB-CG 3.93Å; R427-R445 PolarHBondContact O-N 2.96Å; T429-R445 HydrophobicContact CG2-CG 3.59Å; R445-N447 PolarHBondContact O-N 2.82Å; R445-T470 PolarHBondContact NE-O 3.32Å; R445-D473 VanDerWaalsContact CD-OD1 3.26Å; R445-D473 WeakPolarHBondContact CD-OD1 3.31Å; R445-D473 WeakPolarHBondContact CG-OD1 3.36Å; R445-D473 IonicContact CZ-OD1 3.66Å; R445-D473 IonicContact NE-OD1 3.15Å; R445-D473 IonicContact NH1-OD1 2.88Å; R445-D473 PolarHBondContact NH1-OD1 3.01Å; R445-D473 IonicContact NH1-OD2 3.33Å; R445-D473 PolarHBondContact NH1-OD2 3.04Å
446	N	96	Very high	96.4	Very high	88 Å²	88	37.3 Å²	37.3	47%	0.471	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	14.3	169.9	-78.7	4.4	0	0	0	112.7	S425 T444 T448	S425-N446 VanDerWaalsContact C-ND2 3.27Å; S425-N446 PolarHBondContact O-ND2 3.49Å; T444-N446 PolarHBondContact O-N 3.31Å; T444-N446 PolarHBondContact OG1-N 3.32Å; T444-N446 VanDerWaalsContact OG1-N 3.12Å; N446-T448 VanDerWaalsContact C-N 3.31Å; N446-T448 HydrophobicContact CB-CG2 4.17Å; N446-T448 WeakPolarHBondContact O-CG2 3.44Å; N446-T448 PolarHBondContact O-N 2.88Å
447	N	96.4	Very high	96.5	Very high	58 Å²	58	35.3 Å²	35.3	31%	0.31	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	42.3	-178.5	-46.8	-40.2	0	0	0	111.5	T444 R445 F468 Q469 T470	T444-N447 PolarHBondContact O-N 3.49Å; R445-N447 PolarHBondContact O-N 2.82Å; N447-F468 HydrophobicContact CB-CD1 4.4Å; N447-F468 WeakPolarHBondContact CB-O 3.5Å; N447-F468 WeakPolarHBondContact O-CD1 3.45Å; N447-Q469 WeakPolarHBondContact OD1-CA 3.17Å; N447-T470 PolarHBondContact OD1-N 2.96Å
448	T	96.9	Very high	96.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.8	178.6	71.6	0	0	0	0	110.2	S425 T444 N446 E450 L463 K464	S425-T448 PolarHBondContact OG-OG1 3.01Å; T444-T448 WeakPolarHBondContact CG2-OG1 3.33Å; T444-T448 PolarHBondContact N-O 3.31Å; T444-T448 PolarHBondContact OG1-OG1 3.43Å; N446-T448 VanDerWaalsContact C-N 3.31Å; N446-T448 HydrophobicContact CB-CG2 4.17Å; N446-T448 WeakPolarHBondContact O-CG2 3.44Å; N446-T448 PolarHBondContact O-N 2.88Å; T448-E450 PolarHBondContact OG1-OE1 3.43Å; T448-L463 WeakPolarHBondContact CA-O 3.36Å; T448-K464 HydrophobicContact CG2-CD 4.09Å; T448-K464 HydrophobicContact CG2-CG 3.93Å
449	L	97.7	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	129.4	156.8	-62.7	175.7	0	0	0	108.3	L441 A442 C443 C462 L463 P477 V486 A488 W498	L441-L449 HydrophobicContact CD1-CB 3.96Å; L441-L449 HydrophobicContact CD1-CD1 4.47Å; L441-L449 HydrophobicContact CD1-CD2 4.5Å; A442-L449 CarbonylContact O-C 3.53Å; A442-L449 WeakPolarHBondContact O-CA 3.33Å; C443-L449 HydrophobicContact CB-CD2 3.57Å; L449-C462 CarbonylContact O-C 3.46Å; L449-L463 HydrophobicContact CB-CB 4.13Å; L449-L463 HydrophobicContact CB-CD1 4.19Å; L449-L463 PolarHBondContact N-O 2.93Å; L449-L463 PolarHBondContact O-N 3.41Å; L449-P477 HydrophobicContact CD2-CB 3.68Å; L449-P477 HydrophobicContact CD2-CG 4.16Å; L449-V486 HydrophobicContact CD1-CG2 4.13Å; L449-A488 HydrophobicContact CD1-CB 3.73Å; L449-A488 HydrophobicContact CD2-CB 3.78Å; L449-A488 HydrophobicContact CG-CB 4.15Å; L449-W498 HydrophobicContact CD1-CD2 4.33Å; L449-W498 HydrophobicContact CD1-CE3 3.54Å; L449-W498 HydrophobicContact CD1-CH2 3.9Å; L449-W498 HydrophobicContact CD1-CZ3 3.3Å; L449-W498 HydrophobicContact CG-CH2 4.47Å; L449-W498 HydrophobicContact CG-CZ3 4.3Å
450	E	97.9	Very high	96.6	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.028	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.8	178.9	-78.3	165.4	-141.3	0	0	109.3	L424 S425 A442 T448 V459 Q461 C462	L424-E450 VanDerWaalsContact CA-OE2 3.27Å; L424-E450 WeakPolarHBondContact CA-OE2 3.5Å; L424-E450 WeakPolarHBondContact CB-OE2 3.37Å; L424-E450 HydrophobicContact CD2-CB 4.47Å; L424-E450 WeakPolarHBondContact CD2-OE2 3.36Å; S425-E450 WeakPolarHBondContact CB-OE1 3.35Å; S425-E450 PolarHBondContact N-OE1 2.89Å; S425-E450 PolarHBondContact N-OE2 3.3Å; S425-E450 PolarHBondContact OG-OE1 3.5Å; A442-E450 PolarHBondContact N-O 2.88Å; A442-E450 PolarHBondContact O-N 2.97Å; T448-E450 PolarHBondContact OG1-OE1 3.43Å; E450-V459 HydrophobicContact CB-CG1 4Å; E450-V459 HydrophobicContact CG-CG1 4.02Å; E450-Q461 WeakPolarHBondContact CA-O 3.38Å; E450-C462 HydrophobicContact CG-CB 4.24Å
451	I	98	Very high	96.4	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.046	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.9	173.8	-56.9	178.4	0	0	0	106.9	T439 V440 L441 V459 T460 Q461 L463 T500	T439-I451 HydrophobicContact CG2-CG2 4.46Å; V440-I451 CarbonylContact O-C 3.56Å; L441-I451 HydrophobicContact CD1-CG1 4Å; I451-V459 CarbonylContact O-C 3.59Å; I451-V459 WeakPolarHBondContact O-CA 3.46Å; I451-T460 WeakPolarHBondContact CG2-OG1 3.37Å; I451-T460 PolarHBondContact O-N 3.42Å; I451-T460 PolarHBondContact O-OG1 3.4Å; I451-T460 VanDerWaalsContact O-OG1 3.11Å; I451-Q461 HydrophobicContact CB-CB 4.31Å; I451-Q461 HydrophobicContact CD1-CB 4.31Å; I451-Q461 HydrophobicContact CG1-CB 4.45Å; I451-Q461 PolarHBondContact N-O 2.97Å; I451-Q461 PolarHBondContact O-N 3.18Å; I451-L463 HydrophobicContact CD1-CD1 4.16Å; I451-L463 HydrophobicContact CG1-CD1 4.43Å; I451-T500 HydrophobicContact CD1-CG2 3.9Å
452	V	97.7	Very high	96.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.4	-176.6	-176.9	0	0	0	0	108.6	L408 I422 L424 T439 V440 Q458 V459	L408-V452 HydrophobicContact CD1-CB 4.45Å; L408-V452 HydrophobicContact CD1-CG2 4.2Å; I422-V452 HydrophobicContact CD1-CG1 3.45Å; I422-V452 VanDerWaalsContact CD1-CG1 3.45Å; I422-V452 HydrophobicContact CG2-CG1 4.26Å; L424-V452 HydrophobicContact CD2-CG2 3.8Å; T439-V452 CarbonylContact C-O 3.55Å; T439-V452 VanDerWaalsContact CA-O 3.24Å; T439-V452 WeakPolarHBondContact CA-O 3.23Å; V440-V452 PolarHBondContact N-O 3.31Å; V440-V452 PolarHBondContact O-N 3.04Å; V452-Q458 WeakPolarHBondContact CA-O 3.44Å; V452-V459 HydrophobicContact CG2-CG2 4.21Å
453	D	96.3	Very high	96.3	Very high	26 Å²	26	45.7 Å²	45.7	14%	0.139	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	119.7	172	169.3	9	0	0	0	109.2	R455 T456 N457 Q458 T460	D453-R455 VanDerWaalsContact C-N 3.27Å; D453-R455 PolarHBondContact O-N 3.3Å; D453-R455 WeakPolarHBondContact OD1-CA 3.31Å; D453-R455 VanDerWaalsContact OD1-CB 3.24Å; D453-R455 WeakPolarHBondContact OD1-CB 3.37Å; D453-R455 PolarHBondContact OD1-N 2.95Å; D453-T456 VanDerWaalsContact CB-OG1 3.31Å; D453-T456 WeakPolarHBondContact CB-OG1 3.5Å; D453-T456 VanDerWaalsContact OD2-CG2 3.27Å; D453-T456 WeakPolarHBondContact OD2-CG2 3.48Å; D453-T456 PolarHBondContact OD2-OG1 3.44Å; D453-N457 VanDerWaalsContact O-CA 3.27Å; D453-N457 WeakPolarHBondContact O-CA 3.25Å; D453-N457 PolarHBondContact O-N 3.42Å; D453-Q458 PolarHBondContact N-O 3.41Å; D453-Q458 PolarHBondContact O-N 2.71Å; D453-T460 HydrophobicContact CB-CG2 3.52Å
454	L	94.6	Very high	96.2	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-20.4	-177.7	-64.4	-179.4	0	0	0	112.9	C393 M396 V400 I410 I433 T438 V440 N457	C393-L454 HydrophobicContact CB-CD1 4.21Å; M396-L454 HydrophobicContact SD-CB 3.77Å; M396-L454 HydrophobicContact SD-CD1 4.28Å; V400-L454 HydrophobicContact CG2-CD1 4.43Å; V400-L454 HydrophobicContact CG2-CD2 4.09Å; I410-L454 HydrophobicContact CD1-CD2 3.79Å; I410-L454 HydrophobicContact CG1-CD2 4.5Å; I433-L454 HydrophobicContact CD1-CD1 4.09Å; T438-L454 WeakPolarHBondContact O-CB 3.3Å; T438-L454 PolarHBondContact O-N 2.98Å; V440-L454 HydrophobicContact CB-CD2 4.37Å; V440-L454 HydrophobicContact CG2-CD1 3.82Å; V440-L454 HydrophobicContact CG2-CD2 3.74Å; V440-L454 HydrophobicContact CG2-CG 3.93Å; L454-N457 PolarHBondContact O-OD1 3.49Å
455	R	93.8	Very high	96	Very high	201 Å²	201	53.1 Å²	53.1	76%	0.758	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-41.3	177.3	-168.6	-172.9	67.2	87.5	3.3	111.4	D453	D453-R455 VanDerWaalsContact C-N 3.27Å; D453-R455 PolarHBondContact O-N 3.3Å; D453-R455 WeakPolarHBondContact OD1-CA 3.31Å; D453-R455 VanDerWaalsContact OD1-CB 3.24Å; D453-R455 WeakPolarHBondContact OD1-CB 3.37Å; D453-R455 PolarHBondContact OD1-N 2.95Å
456	T	95.2	Very high	95.8	Very high	55 Å²	55	56.8 Å²	56.8	34%	0.337	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-15	178.9	54.7	0	0	0	0	112.8	D453 Q458	D453-T456 VanDerWaalsContact CB-OG1 3.31Å; D453-T456 WeakPolarHBondContact CB-OG1 3.5Å; D453-T456 VanDerWaalsContact OD2-CG2 3.27Å; D453-T456 WeakPolarHBondContact OD2-CG2 3.48Å; D453-T456 PolarHBondContact OD2-OG1 3.44Å; T456-Q458 PolarHBondContact O-N 3.5Å
457	N	94.7	Very high	95.5	Very high	45 Å²	45	54.7 Å²	54.7	24%	0.241	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	38	-173.3	-61.1	-73.1	0	0	0	112.7	I410 N420 I422 D453 L454	I410-N457 WeakPolarHBondContact CD1-OD1 3.26Å; N420-N457 PolarHBondContact ND2-ND2 3.36Å; N420-N457 PolarHBondContact ND2-OD1 2.91Å; I422-N457 HydrophobicContact CD1-CB 3.78Å; I422-N457 HydrophobicContact CG1-CB 4.15Å; D453-N457 VanDerWaalsContact O-CA 3.27Å; D453-N457 WeakPolarHBondContact O-CA 3.25Å; D453-N457 PolarHBondContact O-N 3.42Å; L454-N457 PolarHBondContact O-OD1 3.49Å
458	Q	95.4	Very high	95.5	Very high	131 Å²	131	52.2 Å²	52.2	61%	0.612	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	149.8	-178.1	-70	-175.8	7.9	0	0	111.6	V452 D453 T456 T460	V452-Q458 WeakPolarHBondContact CA-O 3.44Å; D453-Q458 PolarHBondContact N-O 3.41Å; D453-Q458 PolarHBondContact O-N 2.71Å; T456-Q458 PolarHBondContact O-N 3.5Å; Q458-T460 PolarHBondContact O-N 2.89Å
459	V	97	Very high	95.5	Very high	55 Å²	55	56.9 Å²	56.9	33%	0.333	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.7	169.2	-176.4	0	0	0	0	107.9	I422 L424 E450 I451 V452 Q461	I422-V459 HydrophobicContact CG2-CG2 4.38Å; L424-V459 HydrophobicContact CD2-CG2 3.47Å; L424-V459 VanDerWaalsContact CD2-CG2 3.47Å; E450-V459 HydrophobicContact CB-CG1 4Å; E450-V459 HydrophobicContact CG-CG1 4.02Å; I451-V459 CarbonylContact O-C 3.59Å; I451-V459 WeakPolarHBondContact O-CA 3.46Å; V452-V459 HydrophobicContact CG2-CG2 4.21Å; V459-Q461 WeakPolarHBondContact CG1-O 3.43Å
460	T	94.9	Very high	95.3	Very high	76 Å²	76	57.2 Å²	57.2	47%	0.466	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-37.2	179.1	55.2	0	0	0	0	111.8	I451 D453 Q458	I451-T460 WeakPolarHBondContact CG2-OG1 3.37Å; I451-T460 PolarHBondContact O-N 3.42Å; I451-T460 PolarHBondContact O-OG1 3.4Å; I451-T460 VanDerWaalsContact O-OG1 3.11Å; D453-T460 HydrophobicContact CB-CG2 3.52Å; Q458-T460 PolarHBondContact O-N 2.89Å
461	Q	95.1	Very high	95	Very high	51 Å²	51	58 Å²	58	24%	0.238	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	148.2	179.8	-68.4	-167.5	-8.3	0	0	112.2	E450 I451 V459 L463 T500	E450-Q461 WeakPolarHBondContact CA-O 3.38Å; I451-Q461 HydrophobicContact CB-CB 4.31Å; I451-Q461 HydrophobicContact CD1-CB 4.31Å; I451-Q461 HydrophobicContact CG1-CB 4.45Å; I451-Q461 PolarHBondContact N-O 2.97Å; I451-Q461 PolarHBondContact O-N 3.18Å; V459-Q461 WeakPolarHBondContact CG1-O 3.43Å; Q461-L463 HydrophobicContact CB-CD2 4.36Å; Q461-T500 PolarHBondContact NE2-O 3.41Å; Q461-T500 PolarHBondContact OE1-O 3.44Å
462	C	96.4	Very high	94.8	Very high	64 Å²	64	58.7 Å²	58.7	43%	0.432	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	103.7	172	-176	0	0	0	0	108.3	L449 E450 K464	L449-C462 CarbonylContact O-C 3.46Å; E450-C462 HydrophobicContact CG-CB 4.24Å; C462-K464 VanDerWaalsContact SG-CE 3.52Å
463	L	97.1	Very high	94.6	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129	-176.2	-48.6	171.2	0	0	0	109.3	T448 L449 I451 Q461 V486 W498 G503	T448-L463 WeakPolarHBondContact CA-O 3.36Å; L449-L463 HydrophobicContact CB-CB 4.13Å; L449-L463 HydrophobicContact CB-CD1 4.19Å; L449-L463 PolarHBondContact N-O 2.93Å; L449-L463 PolarHBondContact O-N 3.41Å; I451-L463 HydrophobicContact CD1-CD1 4.16Å; I451-L463 HydrophobicContact CG1-CD1 4.43Å; Q461-L463 HydrophobicContact CB-CD2 4.36Å; L463-V486 HydrophobicContact CD1-CG2 3.34Å; L463-W498 HydrophobicContact CB-CD2 4.5Å; L463-W498 HydrophobicContact CB-CG 4.19Å; L463-W498 HydrophobicContact CD1-CB 3.93Å; L463-W498 HydrophobicContact CD1-CG 4.24Å; L463-G503 VanDerWaalsContact CD2-CA 3.42Å; L463-G503 WeakPolarHBondContact CD2-O 3.35Å
464	K	95.4	Very high	94.6	Very high	136 Å²	136	62.8 Å²	62.8	59%	0.591	33%	0.334	S	S	*	.			trans	-135.7	153.4	177.3	-59.5	-176.1	-172.2	-177.3	0	108.1	T448 C462 W498	T448-K464 HydrophobicContact CG2-CD 4.09Å; T448-K464 HydrophobicContact CG2-CG 3.93Å; C462-K464 VanDerWaalsContact SG-CE 3.52Å; K464-W498 PolarHBondContact O-NE1 2.9Å
465	A	94.1	Very high	94.7	Very high	20 Å²	20	62.6 Å²	62.6	17%	0.165	33%	0.333	C	S	.	.			trans	-144.5	147.4	173.3	0	0	0	0	0	109.6	G467 F468 Y496 W498 L505	A465-G467 PolarHBondContact O-N 2.92Å; A465-F468 HydrophobicContact CB-CB 4.02Å; A465-F468 PolarHBondContact O-N 3.17Å; A465-Y496 HydrophobicContact CB-CD1 4.13Å; A465-Y496 HydrophobicContact CB-CE1 4.45Å; A465-W498 HydrophobicContact CB-CZ2 3.77Å; A465-L505 HydrophobicContact CB-CB 4.23Å; A465-L505 HydrophobicContact CB-CD1 4.07Å; A465-L505 HydrophobicContact CB-CD2 3.94Å; A465-L505 HydrophobicContact CB-CG 4.31Å
466	D	91.5	Very high	94.9	Very high	165 Å²	165	54.1 Å²	54.1	88%	0.882	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	126.6	171.8	-66.4	-30.2	0	0	0	109.6	F468	D466-F468 VanDerWaalsContact C-N 3.32Å; D466-F468 PolarHBondContact O-N 2.98Å
467	G	89.9	Confident	95	Very high	44 Å²	44	51.7 Å²	51.7	45%	0.454	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-17.1	-177.3	0	0	0	0	0	115.3	A465 Q469 Y496	A465-G467 PolarHBondContact O-N 2.92Å; G467-Q469 PolarHBondContact O-N 3.24Å; G467-Y496 VanDerWaalsContact C-OH 3.31Å; G467-Y496 PolarHBondContact O-OH 3.38Å
468	F	96.2	Very high	95.1	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.026	28%	0.275	C	S	.	.			trans	-68.5	122.1	173.7	176.9	-113.4	0	0	0	110	N447 A465 D466 A488 G489 Y496 W498	N447-F468 HydrophobicContact CB-CD1 4.4Å; N447-F468 WeakPolarHBondContact CB-O 3.5Å; N447-F468 WeakPolarHBondContact O-CD1 3.45Å; A465-F468 HydrophobicContact CB-CB 4.02Å; A465-F468 PolarHBondContact O-N 3.17Å; D466-F468 VanDerWaalsContact C-N 3.32Å; D466-F468 PolarHBondContact O-N 2.98Å; F468-A488 HydrophobicContact CE2-CB 3.96Å; F468-A488 HydrophobicContact CZ-CB 4.01Å; F468-G489 WeakPolarHBondContact CE2-O 3.33Å; F468-Y496 HydrophobicContact CB-CD1 4.05Å; F468-Y496 HydrophobicContact CB-CD2 4.41Å; F468-Y496 HydrophobicContact CB-CE1 4.03Å; F468-Y496 HydrophobicContact CB-CE2 4.4Å; F468-Y496 HydrophobicContact CB-CG 4.26Å; F468-Y496 AromaticContact CD2-CD2 3.67Å; F468-Y496 HydrophobicContact CD2-CD2 3.67Å; F468-Y496 HydrophobicContact CD2-CE2 4.13Å; F468-Y496 AromaticContact CD2-CG 3.95Å; F468-Y496 HydrophobicContact CD2-CG 3.95Å; F468-Y496 HydrophobicContact CG-CD2 4.5Å; F468-Y496 HydrophobicContact CG-CG 4.48Å; F468-W498 HydrophobicContact CB-CH2 4.44Å; F468-W498 HydrophobicContact CB-CZ2 4.18Å; F468-W498 HydrophobicContact CD1-CH2 4.04Å; F468-W498 HydrophobicContact CD1-CZ2 4.09Å; F468-W498 AromaticContact CD2-CH2 3.73Å; F468-W498 HydrophobicContact CD2-CH2 3.73Å; F468-W498 HydrophobicContact CD2-CZ2 4.3Å; F468-W498 HydrophobicContact CE1-CH2 4.19Å; F468-W498 AromaticContact CE2-CH2 3.89Å; F468-W498 HydrophobicContact CE2-CH2 3.89Å; F468-W498 AromaticContact CG-CH2 3.8Å; F468-W498 HydrophobicContact CG-CH2 3.8Å; F468-W498 AromaticContact CG-CZ2 3.93Å; F468-W498 HydrophobicContact CG-CZ2 3.93Å; F468-W498 HydrophobicContact CZ-CH2 4.13Å
469	Q	96.1	Very high	95.2	Very high	99 Å²	99	44 Å²	44	46%	0.463	25%	0.249	S	C	.	.			trans	-139.6	131.2	176.8	-67.7	-177.7	-4.5	0	0	110.2	N447 G467 G471 G490 H491	N447-Q469 WeakPolarHBondContact OD1-CA 3.17Å; G467-Q469 PolarHBondContact O-N 3.24Å; Q469-G471 PolarHBondContact O-N 3.32Å; Q469-G490 CarbonylContact O-C 3.54Å; Q469-G490 WeakPolarHBondContact O-CA 3.37Å; Q469-H491 HydrophobicContact CB-CB 4.03Å; Q469-H491 WeakPolarHBondContact O-CB 3.44Å; Q469-H491 PolarHBondContact O-N 2.84Å
470	T	94.5	Very high	95.2	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.037	23%	0.233	C	C	.	.			trans	-82.4	97.6	179.6	-49.7	0	0	0	0	109.6	T429 T444 R445 N447 L472 V475	T429-T470 HydrophobicContact CG2-CG2 3.74Å; T444-T470 WeakPolarHBondContact O-CB 3.27Å; T444-T470 PolarHBondContact O-OG1 3.48Å; R445-T470 PolarHBondContact NE-O 3.32Å; N447-T470 PolarHBondContact OD1-N 2.96Å; T470-L472 PolarHBondContact O-N 3.37Å; T470-V475 HydrophobicContact CG2-CB 3.85Å; T470-V475 HydrophobicContact CG2-CG1 4.43Å; T470-V475 HydrophobicContact CG2-CG2 3.8Å
471	G	90.6	Very high	95.2	Very high	23 Å²	23	39.7 Å²	39.7	24%	0.237	22%	0.224	C	C	.	.			trans	-74.7	-21.6	-171.9	0	0	0	0	0	115.8	Q469	Q469-G471 PolarHBondContact O-N 3.32Å
472	L	95	Very high	95.1	Very high	23 Å²	23	39.8 Å²	39.8	12%	0.12	23%	0.226	C	C	.	.	S	Bend	trans	-136	156.1	-174.2	-60.7	166.8	0	0	0	111.4	T429 T470 I474 V475 I515 V517 R533	T429-L472 WeakPolarHBondContact CG2-O 3.39Å; T470-L472 PolarHBondContact O-N 3.37Å; L472-I474 HydrophobicContact CB-CG1 3.97Å; L472-I474 HydrophobicContact CD1-CG1 4.39Å; L472-I474 PolarHBondContact O-N 2.86Å; L472-V475 HydrophobicContact CB-CG2 4.11Å; L472-V475 WeakPolarHBondContact O-CG2 3.42Å; L472-I515 HydrophobicContact CD1-CB 4.31Å; L472-I515 HydrophobicContact CD1-CG2 3.78Å; L472-I515 HydrophobicContact CD2-CD1 4.21Å; L472-I515 HydrophobicContact CG-CD1 4.18Å; L472-I515 HydrophobicContact CG-CG2 3.91Å; L472-V517 HydrophobicContact CD1-CG2 3.79Å; L472-R533 HydrophobicContact CD1-CB 4.34Å; L472-R533 HydrophobicContact CD1-CG 4.34Å
473	D	93.8	Very high	95	Very high	53 Å²	53	37.9 Å²	37.9	28%	0.283	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	5.9	175	-70.2	-45.3	0	0	0	113.9	Q388 F404 T429 R445	Q388-D473 WeakPolarHBondContact CG-O 3.35Å; Q388-D473 PolarHBondContact NE2-O 3.3Å; Q388-D473 VanDerWaalsContact NE2-O 3.09Å; F404-D473 HydrophobicContact CZ-CB 4.42Å; T429-D473 WeakPolarHBondContact CA-O 3.39Å; R445-D473 VanDerWaalsContact CD-OD1 3.26Å; R445-D473 WeakPolarHBondContact CD-OD1 3.31Å; R445-D473 WeakPolarHBondContact CG-OD1 3.36Å; R445-D473 IonicContact CZ-OD1 3.66Å; R445-D473 IonicContact NE-OD1 3.15Å; R445-D473 IonicContact NH1-OD1 2.88Å; R445-D473 PolarHBondContact NH1-OD1 3.01Å; R445-D473 IonicContact NH1-OD2 3.33Å; R445-D473 PolarHBondContact NH1-OD2 3.04Å
474	I	94.4	Very high	94.9	Very high	59 Å²	59	41 Å²	41	30%	0.303	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	15.5	-176.6	58.7	163.6	0	0	0	112.6	T429 L472 R476 V517	T429-I474 CarbonylContact O-C 3.45Å; T429-I474 WeakPolarHBondContact O-CA 3.3Å; L472-I474 HydrophobicContact CB-CG1 3.97Å; L472-I474 HydrophobicContact CD1-CG1 4.39Å; L472-I474 PolarHBondContact O-N 2.86Å; I474-R476 PolarHBondContact O-N 3.39Å; I474-V517 HydrophobicContact CD1-CG1 3.61Å; I474-V517 HydrophobicContact CG1-CG1 3.91Å
475	V	97.3	Very high	95	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.21	C	C	.	.			trans	-66.2	117.3	178.2	176.9	0	0	0	0	109.6	T429 G430 T470 L472 V517	T429-V475 CarbonylContact C-O 3.52Å; T429-V475 PolarHBondContact OG1-O 2.92Å; G430-V475 VanDerWaalsContact CA-O 3.3Å; G430-V475 WeakPolarHBondContact CA-O 3.35Å; G430-V475 PolarHBondContact N-O 3.48Å; T470-V475 HydrophobicContact CG2-CB 3.85Å; T470-V475 HydrophobicContact CG2-CG1 4.43Å; T470-V475 HydrophobicContact CG2-CG2 3.8Å; L472-V475 HydrophobicContact CB-CG2 4.11Å; L472-V475 WeakPolarHBondContact O-CG2 3.42Å; V475-V517 CarbonylContact C-O 3.56Å; V475-V517 VanDerWaalsContact CA-O 3.23Å; V475-V517 WeakPolarHBondContact CA-O 3.35Å
476	R	97.3	Very high	95.1	Very high	22 Å²	22	35.9 Å²	35.9	8%	0.083	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-105.1	110	-178.6	-71.2	170.6	178.4	-79.1	-7.2	110.5	I347 D389 I474 V517 C518 C519	I347-R476 PolarHBondContact O-NH2 2.8Å; I347-R476 VanDerWaalsContact O-NH2 3.12Å; D389-R476 IonicContact OD1-CZ 3.81Å; D389-R476 IonicContact OD1-NH1 3.78Å; D389-R476 PolarHBondContact OD1-NH1 2.91Å; D389-R476 IonicContact OD1-NH2 3.2Å; D389-R476 PolarHBondContact OD1-NH2 2.98Å; D389-R476 IonicContact OD2-CZ 2.67Å; D389-R476 IonicContact OD2-NH1 3.2Å; D389-R476 PolarHBondContact OD2-NH1 3.35Å; I474-R476 PolarHBondContact O-N 3.39Å; R476-V517 PolarHBondContact N-O 2.98Å; R476-C518 HydrophobicContact CB-CB 4.15Å; R476-C519 PolarHBondContact O-N 3.34Å
477	P	97.8	Very high	95.4	Very high	4 Å²	4	28 Å²	28	3%	0.026	16%	0.16	C	C	.	.			trans	-79.1	170.5	174.2	39.1	-38.6	0	0	0	110.6	D432 L441 C443 L449 A487 A488	D432-P477 WeakPolarHBondContact CB-O 3.43Å; L441-P477 HydrophobicContact CD2-CB 3.63Å; L441-P477 HydrophobicContact CD2-CG 3.93Å; L441-P477 HydrophobicContact CG-CB 4.05Å; L441-P477 HydrophobicContact CG-CG 3.9Å; C443-P477 HydrophobicContact CB-CB 4.3Å; C443-P477 HydrophobicContact CB-CG 3.8Å; L449-P477 HydrophobicContact CD2-CB 3.68Å; L449-P477 HydrophobicContact CD2-CG 4.16Å; P477-A487 CarbonylContact C-O 3.43Å; P477-A487 VanDerWaalsContact CA-O 3.24Å; P477-A487 WeakPolarHBondContact CA-O 3.34Å; P477-A487 WeakPolarHBondContact CB-O 3.5Å; P477-A488 HydrophobicContact CB-CB 4.02Å
478	C	97.6	Very high	95.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.1	172.9	67.4	0	0	0	0	113.5	D432 V486 A487 C519 H520	D432-C478 WeakPolarHBondContact OD2-CA 3.27Å; C478-V486 CarbonylContact O-C 3.5Å; C478-V486 WeakPolarHBondContact O-CA 2.87Å; C478-A487 PolarHBondContact N-O 3.48Å; C478-A487 PolarHBondContact O-N 3.09Å; C478-C519 WeakPolarHBondContact CB-O 3.05Å; C478-C519 PolarHBondContact SG-O 3.12Å; C478-H520 VanDerWaalsContact SG-CA 3.59Å
479	F	97.9	Very high	95.8	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.057	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	154.7	166.2	-75.5	-79.2	0	0	0	112.1	D432 L441 V486 T500 W521	D432-F479 HydrophobicContact CB-CD2 4.3Å; D432-F479 PolarHBondContact OD2-N 3.37Å; L441-F479 HydrophobicContact CB-CD2 3.97Å; L441-F479 HydrophobicContact CB-CE1 4.38Å; L441-F479 HydrophobicContact CB-CE2 3.33Å; L441-F479 HydrophobicContact CB-CZ 3.57Å; L441-F479 HydrophobicContact CD2-CD2 4.46Å; F479-V486 HydrophobicContact CD1-CG1 3.34Å; F479-V486 HydrophobicContact CE1-CG1 3.51Å; F479-V486 HydrophobicContact CG-CG1 4.12Å; F479-V486 HydrophobicContact CZ-CG1 4.43Å; F479-T500 HydrophobicContact CD1-CG2 4.43Å; F479-T500 HydrophobicContact CE1-CG2 4.27Å; F479-W521 WeakPolarHBondContact O-CB 3.41Å
480	S	96.4	Very high	95.8	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.014	12%	0.116	C	C	.	.			trans	-69.6	156.8	156.9	64.1	0	0	0	0	110.3	D482 S483 D484 Y485	S480-D482 WeakPolarHBondContact CB-OD1 3.24Å; S480-D482 PolarHBondContact O-N 3.4Å; S480-D482 PolarHBondContact OG-OD1 2.89Å; S480-S483 WeakPolarHBondContact O-CA 3.44Å; S480-S483 PolarHBondContact O-N 2.97Å; S480-S483 PolarHBondContact OG-N 3.07Å; S480-D484 PolarHBondContact OG-N 3.09Å; S480-Y485 PolarHBondContact N-O 2.86Å; S480-Y485 PolarHBondContact OG-N 3.34Å; S480-Y485 PolarHBondContact OG-O 2.87Å
481	P	94.6	Very high	95.9	Very high	40 Å²	40	25.1 Å²	25.1	26%	0.26	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-32.9	-177.7	-27.8	35.8	0	0	0	114.9	S243 S435 N522 P523	S243-P481 WeakPolarHBondContact OG-CD 3.44Å; S435-P481 WeakPolarHBondContact CB-O 3.22Å; S435-P481 PolarHBondContact OG-O 2.96Å; P481-N522 WeakPolarHBondContact CG-O 3.36Å; P481-P523 WeakPolarHBondContact CG-O 3.49Å
482	D	93.4	Very high	96.1	Very high	53 Å²	53	27.1 Å²	27.1	28%	0.283	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-2.5	174.7	50.4	16.2	0	0	0	113.8	S243 S480 D484	S243-D482 WeakPolarHBondContact CB-OD2 3.21Å; S243-D482 PolarHBondContact N-OD2 2.82Å; S243-D482 PolarHBondContact OG-OD1 2.88Å; S243-D482 PolarHBondContact OG-OD2 3.4Å; S480-D482 WeakPolarHBondContact CB-OD1 3.24Å; S480-D482 PolarHBondContact O-N 3.4Å; S480-D482 PolarHBondContact OG-OD1 2.89Å; D482-D484 PolarHBondContact O-N 3.36Å; D482-D484 PolarHBondContact OD1-N 3.4Å
483	S	94.4	Very high	96.1	Very high	23 Å²	23	26.1 Å²	26.1	16%	0.161	14%	0.135	C	C	.	.	S	Bend	trans	60.3	17.2	-175.7	-48.8	0	0	0	0	114.9	S434 S480 Y485 T500	S434-S483 WeakPolarHBondContact CB-OG 3.35Å; S480-S483 WeakPolarHBondContact O-CA 3.44Å; S480-S483 PolarHBondContact O-N 2.97Å; S480-S483 PolarHBondContact OG-N 3.07Å; S483-Y485 VanDerWaalsContact C-N 3.34Å; S483-T500 WeakPolarHBondContact O-CB 3.36Å; S483-T500 WeakPolarHBondContact O-CG2 3.19Å; S483-T500 PolarHBondContact O-OG1 2.86Å
484	D	94.5	Very high	96.2	Very high	68 Å²	68	23.6 Å²	23.6	36%	0.364	12%	0.122	S	C	.	.	S	Bend	trans	-77.1	-22.5	175.3	-77.9	-15.6	0	0	0	112.6	S480 D482 S499 T500	S480-D484 PolarHBondContact OG-N 3.09Å; D482-D484 PolarHBondContact O-N 3.36Å; D482-D484 PolarHBondContact OD1-N 3.4Å; D484-S499 WeakPolarHBondContact O-CA 3.48Å; D484-T500 VanDerWaalsContact C-OG1 3.23Å; D484-T500 WeakPolarHBondContact CA-OG1 3.45Å; D484-T500 PolarHBondContact O-N 3.32Å; D484-T500 PolarHBondContact O-OG1 2.96Å; D484-T500 VanDerWaalsContact O-OG1 3.05Å
485	Y	96.6	Very high	96.3	Very high	49 Å²	49	20.8 Å²	20.8	19%	0.192	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	156.4	-179.7	-54.1	-79.3	0	0	0	112	L245 S480 S483 I497 W498 E506 W521	L245-Y485 HydrophobicContact CD1-CE1 4.18Å; L245-Y485 HydrophobicContact CD2-CD1 3.79Å; L245-Y485 HydrophobicContact CD2-CD2 4.5Å; L245-Y485 HydrophobicContact CD2-CE1 3.77Å; L245-Y485 HydrophobicContact CD2-CE2 4.49Å; L245-Y485 HydrophobicContact CD2-CG 4.16Å; L245-Y485 HydrophobicContact CG-CE1 4.09Å; L245-Y485 HydrophobicContact CG-CE2 4.47Å; S480-Y485 PolarHBondContact N-O 2.86Å; S480-Y485 PolarHBondContact OG-N 3.34Å; S480-Y485 PolarHBondContact OG-O 2.87Å; S483-Y485 VanDerWaalsContact C-N 3.34Å; Y485-I497 HydrophobicContact CD1-CG2 4.4Å; Y485-I497 HydrophobicContact CG-CG2 4.49Å; Y485-W498 CarbonylContact C-O 3.55Å; Y485-W498 VanDerWaalsContact CA-O 3.22Å; Y485-W498 WeakPolarHBondContact CA-O 3.48Å; Y485-E506 HydrophobicContact CD1-CG 4.3Å; Y485-E506 HydrophobicContact CE1-CG 4.08Å; Y485-W521 HydrophobicContact CG-CH2 4.32Å
486	V	97.6	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.1	169.7	-67.6	0	0	0	0	110	L441 L449 L463 C478 F479 I497 W498 T500	L441-V486 HydrophobicContact CD1-CB 4.27Å; L441-V486 HydrophobicContact CD1-CG1 3.99Å; L441-V486 HydrophobicContact CD1-CG2 4.46Å; L441-V486 HydrophobicContact CD2-CB 3.76Å; L441-V486 HydrophobicContact CD2-CG1 3.63Å; L441-V486 HydrophobicContact CG-CG1 4.38Å; L449-V486 HydrophobicContact CD1-CG2 4.13Å; L463-V486 HydrophobicContact CD1-CG2 3.34Å; C478-V486 CarbonylContact O-C 3.5Å; C478-V486 WeakPolarHBondContact O-CA 2.87Å; F479-V486 HydrophobicContact CD1-CG1 3.34Å; F479-V486 HydrophobicContact CE1-CG1 3.51Å; F479-V486 HydrophobicContact CG-CG1 4.12Å; F479-V486 HydrophobicContact CZ-CG1 4.43Å; V486-I497 CarbonylContact O-C 3.6Å; V486-I497 VanDerWaalsContact O-CA 3.24Å; V486-I497 WeakPolarHBondContact O-CA 3.15Å; V486-W498 HydrophobicContact CG2-CB 3.94Å; V486-W498 HydrophobicContact CG2-CE3 4.39Å; V486-W498 PolarHBondContact N-O 3.35Å; V486-W498 PolarHBondContact O-N 3.42Å; V486-T500 HydrophobicContact CG1-CG2 3.62Å
487	A	97.7	Very high	96.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	145.8	178.1	0	0	0	0	0	111.3	P477 C478 V495 Y496 I497 C519 W521 L528	P477-A487 CarbonylContact C-O 3.43Å; P477-A487 VanDerWaalsContact CA-O 3.24Å; P477-A487 WeakPolarHBondContact CA-O 3.34Å; P477-A487 WeakPolarHBondContact CB-O 3.5Å; C478-A487 PolarHBondContact N-O 3.48Å; C478-A487 PolarHBondContact O-N 3.09Å; A487-V495 HydrophobicContact CB-CG1 4.5Å; A487-Y496 CarbonylContact C-O 3.47Å; A487-Y496 VanDerWaalsContact CA-O 3.25Å; A487-Y496 WeakPolarHBondContact CA-O 3.25Å; A487-I497 HydrophobicContact CB-CG1 4.01Å; A487-C519 VanDerWaalsContact C-SG 3.51Å; A487-C519 PolarHBondContact O-SG 3.2Å; A487-W521 HydrophobicContact CB-CE3 4.2Å; A487-W521 HydrophobicContact CB-CZ3 3.98Å; A487-L528 HydrophobicContact CB-CD1 4.17Å; A487-L528 HydrophobicContact CB-CD2 4.05Å
488	A	97.8	Very high	96.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.4	169.3	0	0	0	0	0	112.5	L449 F468 P477 Y496 W498	L449-A488 HydrophobicContact CD1-CB 3.73Å; L449-A488 HydrophobicContact CD2-CB 3.78Å; L449-A488 HydrophobicContact CG-CB 4.15Å; F468-A488 HydrophobicContact CE2-CB 3.96Å; F468-A488 HydrophobicContact CZ-CB 4.01Å; P477-A488 HydrophobicContact CB-CB 4.02Å; A488-Y496 PolarHBondContact N-O 2.94Å; A488-Y496 PolarHBondContact O-N 3.06Å; A488-W498 HydrophobicContact CB-CH2 4.45Å; A488-W498 HydrophobicContact CB-CZ3 4.01Å
489	G	96.5	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	135	175.8	0	0	0	0	0	113.4	F468 V516	F468-G489 WeakPolarHBondContact CE2-O 3.33Å; G489-V516 VanDerWaalsContact CA-CB 3.47Å
490	G	96.2	Very high	96.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.11	C	C	.	.			trans	-97.3	161.1	174	0	0	0	0	0	113.6	Q469 D492 G493 G494 V516	Q469-G490 CarbonylContact O-C 3.54Å; Q469-G490 WeakPolarHBondContact O-CA 3.37Å; G490-D492 PolarHBondContact O-N 2.89Å; G490-G493 PolarHBondContact O-N 2.86Å; G490-G494 PolarHBondContact N-O 2.83Å; G490-V516 PolarHBondContact O-N 2.66Å; G490-V516 VanDerWaalsContact O-N 3.09Å
491	H	96.2	Very high	95.9	Very high	94 Å²	94	26 Å²	26	44%	0.435	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-31	172.5	175.7	-88.6	0	0	0	112.6	Q469 G493 I515	Q469-H491 HydrophobicContact CB-CB 4.03Å; Q469-H491 WeakPolarHBondContact O-CB 3.44Å; Q469-H491 PolarHBondContact O-N 2.84Å; H491-G493 PolarHBondContact O-N 3.31Å; H491-I515 WeakPolarHBondContact O-CG1 3.45Å
492	D	94.9	Very high	95.9	Very high	65 Å²	65	26.6 Å²	26.6	35%	0.348	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	4.6	-178.8	67.7	-28.7	0	0	0	114.1	G490 G494 Y496 R510	G490-D492 PolarHBondContact O-N 2.89Å; D492-G494 VanDerWaalsContact C-N 3.26Å; D492-G494 PolarHBondContact OD1-N 3.42Å; D492-Y496 WeakPolarHBondContact OD1-CE2 3.2Å; D492-Y496 PolarHBondContact OD1-OH 3.43Å; D492-Y496 PolarHBondContact OD2-OH 3.37Å; D492-R510 IonicContact OD2-CZ 2.79Å; D492-R510 IonicContact OD2-NH1 3.33Å; D492-R510 PolarHBondContact OD2-NH1 3.24Å; D492-R510 IonicContact OD2-NH2 3.91Å
493	G	95.2	Very high	95.9	Very high	2 Å²	2	25 Å²	25	2%	0.021	14%	0.144	C	C	.	.	S	Bend	trans	80.4	4.6	-173	0	0	0	0	0	114	G490 H491 H512 N514	G490-G493 PolarHBondContact O-N 2.86Å; H491-G493 PolarHBondContact O-N 3.31Å; G493-H512 WeakPolarHBondContact O-CB 3.47Å; G493-N514 WeakPolarHBondContact CA-O 3.22Å
494	G	95.9	Very high	95.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.9	175.1	0	0	0	0	0	112.1	G490 D492 L509	G490-G494 PolarHBondContact N-O 2.83Å; D492-G494 VanDerWaalsContact C-N 3.26Å; D492-G494 PolarHBondContact OD1-N 3.42Å; G494-L509 CarbonylContact C-O 3.57Å; G494-L509 WeakPolarHBondContact CA-O 3.24Å
495	V	97.4	Very high	96	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	111.3	161.2	-175.5	0	0	0	0	107.5	A487 C508 L509 V516 L528 W540	A487-V495 HydrophobicContact CB-CG1 4.5Å; V495-C508 CarbonylContact O-C 3.51Å; V495-C508 WeakPolarHBondContact O-CA 3.38Å; V495-L509 HydrophobicContact CB-CB 4.19Å; V495-L509 PolarHBondContact N-O 2.85Å; V495-L509 PolarHBondContact O-N 2.88Å; V495-V516 HydrophobicContact CG2-CG1 4.22Å; V495-V516 HydrophobicContact CG2-CG2 4.22Å; V495-L528 HydrophobicContact CG1-CD2 3.72Å; V495-W540 HydrophobicContact CG2-CZ2 4.09Å
496	Y	97.9	Very high	95.9	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	134.6	-176.3	-67.7	-103.5	0	0	0	108.9	A465 G467 F468 A487 A488 D492 W498 L505 C508 R510	A465-Y496 HydrophobicContact CB-CD1 4.13Å; A465-Y496 HydrophobicContact CB-CE1 4.45Å; G467-Y496 VanDerWaalsContact C-OH 3.31Å; G467-Y496 PolarHBondContact O-OH 3.38Å; F468-Y496 HydrophobicContact CB-CD1 4.05Å; F468-Y496 HydrophobicContact CB-CD2 4.41Å; F468-Y496 HydrophobicContact CB-CE1 4.03Å; F468-Y496 HydrophobicContact CB-CE2 4.4Å; F468-Y496 HydrophobicContact CB-CG 4.26Å; F468-Y496 AromaticContact CD2-CD2 3.67Å; F468-Y496 HydrophobicContact CD2-CD2 3.67Å; F468-Y496 HydrophobicContact CD2-CE2 4.13Å; F468-Y496 AromaticContact CD2-CG 3.95Å; F468-Y496 HydrophobicContact CD2-CG 3.95Å; F468-Y496 HydrophobicContact CG-CD2 4.5Å; F468-Y496 HydrophobicContact CG-CG 4.48Å; A487-Y496 CarbonylContact C-O 3.47Å; A487-Y496 VanDerWaalsContact CA-O 3.25Å; A487-Y496 WeakPolarHBondContact CA-O 3.25Å; A488-Y496 PolarHBondContact N-O 2.94Å; A488-Y496 PolarHBondContact O-N 3.06Å; D492-Y496 WeakPolarHBondContact OD1-CE2 3.2Å; D492-Y496 PolarHBondContact OD1-OH 3.43Å; D492-Y496 PolarHBondContact OD2-OH 3.37Å; Y496-W498 VanDerWaalsContact C-CZ3 3.49Å; Y496-W498 HydrophobicContact CD1-CZ2 4.41Å; Y496-W498 AromaticContact CG-CH2 3.98Å; Y496-W498 HydrophobicContact CG-CH2 3.98Å; Y496-W498 HydrophobicContact CG-CZ2 4.31Å; Y496-W498 WeakPolarHBondContact O-CZ3 3.33Å; Y496-L505 HydrophobicContact CD1-CD1 3.76Å; Y496-L505 HydrophobicContact CD1-CD2 4.19Å; Y496-L505 HydrophobicContact CG-CD1 4.34Å; Y496-C508 HydrophobicContact CD1-CB 4.14Å; Y496-C508 HydrophobicContact CE1-CB 4.17Å; Y496-C508 VanDerWaalsContact CE1-SG 3.55Å; Y496-C508 VanDerWaalsContact CZ-SG 3.54Å; Y496-R510 PolarHBondContact OH-NH2 2.95Å
497	I	97.4	Very high	95.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.4	-179.2	-56.3	-178.6	0	0	0	108.6	L245 P246 Y485 V486 A487 L505 E506 I507 L509 W521 L528	L245-I497 HydrophobicContact CD2-CG2 3.8Å; P246-I497 HydrophobicContact CG-CD1 3.62Å; Y485-I497 HydrophobicContact CD1-CG2 4.4Å; Y485-I497 HydrophobicContact CG-CG2 4.49Å; V486-I497 CarbonylContact O-C 3.6Å; V486-I497 VanDerWaalsContact O-CA 3.24Å; V486-I497 WeakPolarHBondContact O-CA 3.15Å; A487-I497 HydrophobicContact CB-CG1 4.01Å; I497-L505 WeakPolarHBondContact O-CD1 3.3Å; I497-E506 PolarHBondContact O-N 3.44Å; I497-I507 HydrophobicContact CB-CG2 3.7Å; I497-I507 HydrophobicContact CD1-CG2 3.8Å; I497-I507 HydrophobicContact CG1-CG2 4.02Å; I497-I507 HydrophobicContact CG2-CG2 4.38Å; I497-I507 PolarHBondContact N-O 2.92Å; I497-I507 PolarHBondContact O-N 3.36Å; I497-L509 HydrophobicContact CD1-CD1 4.14Å; I497-W521 HydrophobicContact CD1-CH2 3.97Å; I497-W521 HydrophobicContact CD1-CZ3 4.28Å; I497-W521 HydrophobicContact CG2-CH2 3.75Å; I497-W521 HydrophobicContact CG2-CZ3 4Å; I497-L528 HydrophobicContact CD1-CD2 3.99Å
498	W	97.8	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	152.2	178.8	-62.3	-103	0	0	0	110.5	L449 L463 K464 A465 F468 Y485 V486 A488 Y496 N504 L505	L449-W498 HydrophobicContact CD1-CD2 4.33Å; L449-W498 HydrophobicContact CD1-CE3 3.54Å; L449-W498 HydrophobicContact CD1-CH2 3.9Å; L449-W498 HydrophobicContact CD1-CZ3 3.3Å; L449-W498 HydrophobicContact CG-CH2 4.47Å; L449-W498 HydrophobicContact CG-CZ3 4.3Å; L463-W498 HydrophobicContact CB-CD2 4.5Å; L463-W498 HydrophobicContact CB-CG 4.19Å; L463-W498 HydrophobicContact CD1-CB 3.93Å; L463-W498 HydrophobicContact CD1-CG 4.24Å; K464-W498 PolarHBondContact O-NE1 2.9Å; A465-W498 HydrophobicContact CB-CZ2 3.77Å; F468-W498 HydrophobicContact CB-CH2 4.44Å; F468-W498 HydrophobicContact CB-CZ2 4.18Å; F468-W498 HydrophobicContact CD1-CH2 4.04Å; F468-W498 HydrophobicContact CD1-CZ2 4.09Å; F468-W498 AromaticContact CD2-CH2 3.73Å; F468-W498 HydrophobicContact CD2-CH2 3.73Å; F468-W498 HydrophobicContact CD2-CZ2 4.3Å; F468-W498 HydrophobicContact CE1-CH2 4.19Å; F468-W498 AromaticContact CE2-CH2 3.89Å; F468-W498 HydrophobicContact CE2-CH2 3.89Å; F468-W498 AromaticContact CG-CH2 3.8Å; F468-W498 HydrophobicContact CG-CH2 3.8Å; F468-W498 AromaticContact CG-CZ2 3.93Å; F468-W498 HydrophobicContact CG-CZ2 3.93Å; F468-W498 HydrophobicContact CZ-CH2 4.13Å; Y485-W498 CarbonylContact C-O 3.55Å; Y485-W498 VanDerWaalsContact CA-O 3.22Å; Y485-W498 WeakPolarHBondContact CA-O 3.48Å; V486-W498 HydrophobicContact CG2-CB 3.94Å; V486-W498 HydrophobicContact CG2-CE3 4.39Å; V486-W498 PolarHBondContact N-O 3.35Å; V486-W498 PolarHBondContact O-N 3.42Å; A488-W498 HydrophobicContact CB-CH2 4.45Å; A488-W498 HydrophobicContact CB-CZ3 4.01Å; Y496-W498 VanDerWaalsContact C-CZ3 3.49Å; Y496-W498 HydrophobicContact CD1-CZ2 4.41Å; Y496-W498 AromaticContact CG-CH2 3.98Å; Y496-W498 HydrophobicContact CG-CH2 3.98Å; Y496-W498 HydrophobicContact CG-CZ2 4.31Å; Y496-W498 WeakPolarHBondContact O-CZ3 3.33Å; W498-N504 VanDerWaalsContact CA-O 3.24Å; W498-N504 WeakPolarHBondContact CA-O 3.42Å; W498-N504 WeakPolarHBondContact CB-O 3.4Å; W498-L505 HydrophobicContact CD2-CD1 4.02Å; W498-L505 HydrophobicContact CG-CD1 4.3Å; W498-L505 HydrophobicContact CZ2-CD1 4.18Å
499	S	96.1	Very high	95.6	Very high	13 Å²	13	34.5 Å²	34.5	9%	0.091	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	133	165.9	172.9	0	0	0	0	109.9	D484 V501 S502 G503 N504	D484-S499 WeakPolarHBondContact O-CA 3.48Å; S499-V501 VanDerWaalsContact C-N 3.27Å; S499-V501 PolarHBondContact OG-N 2.95Å; S499-S502 VanDerWaalsContact CB-OG 3.29Å; S499-S502 WeakPolarHBondContact CB-OG 3.3Å; S499-S502 PolarHBondContact OG-N 2.88Å; S499-G503 VanDerWaalsContact O-CA 3.24Å; S499-G503 WeakPolarHBondContact O-CA 3.46Å; S499-G503 PolarHBondContact O-N 3.39Å; S499-N504 PolarHBondContact N-O 3.47Å
500	T	94.3	Very high	95.5	Very high	24 Å²	24	41.7 Å²	41.7	15%	0.147	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.9	174	57.8	0	0	0	0	112.5	I451 Q461 F479 S483 D484 V486	I451-T500 HydrophobicContact CD1-CG2 3.9Å; Q461-T500 PolarHBondContact NE2-O 3.41Å; Q461-T500 PolarHBondContact OE1-O 3.44Å; F479-T500 HydrophobicContact CD1-CG2 4.43Å; F479-T500 HydrophobicContact CE1-CG2 4.27Å; S483-T500 WeakPolarHBondContact O-CB 3.36Å; S483-T500 WeakPolarHBondContact O-CG2 3.19Å; S483-T500 PolarHBondContact O-OG1 2.86Å; D484-T500 VanDerWaalsContact C-OG1 3.23Å; D484-T500 WeakPolarHBondContact CA-OG1 3.45Å; D484-T500 PolarHBondContact O-N 3.32Å; D484-T500 PolarHBondContact O-OG1 2.96Å; D484-T500 VanDerWaalsContact O-OG1 3.05Å; V486-T500 HydrophobicContact CG1-CG2 3.62Å
501	V	92.5	Very high	95.4	Very high	113 Å²	113	44.1 Å²	44.1	69%	0.685	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-50.9	179.2	-178.4	0	0	0	0	110.6	S499	S499-V501 VanDerWaalsContact C-N 3.27Å; S499-V501 PolarHBondContact OG-N 2.95Å
502	S	93.6	Very high	95.3	Very high	54 Å²	54	40.3 Å²	40.3	38%	0.378	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-23.2	-176.2	76.9	0	0	0	0	113.2	S499 N504	S499-S502 VanDerWaalsContact CB-OG 3.29Å; S499-S502 WeakPolarHBondContact CB-OG 3.3Å; S499-S502 PolarHBondContact OG-N 2.88Å; S502-N504 PolarHBondContact O-N 3.23Å; S502-N504 WeakPolarHBondContact OG-CB 3.34Å; S502-N504 PolarHBondContact OG-N 2.85Å
503	G	93	Very high	95.3	Very high	20 Å²	20	42 Å²	42	21%	0.206	23%	0.231	C	C	.	.			trans	73.1	1.4	-172.5	0	0	0	0	0	114.4	L463 S499	L463-G503 VanDerWaalsContact CD2-CA 3.42Å; L463-G503 WeakPolarHBondContact CD2-O 3.35Å; S499-G503 VanDerWaalsContact O-CA 3.24Å; S499-G503 WeakPolarHBondContact O-CA 3.46Å; S499-G503 PolarHBondContact O-N 3.39Å
504	N	95.2	Very high	95.3	Very high	104 Å²	104	44.4 Å²	44.4	56%	0.556	24%	0.243	S	C	*	.	S	Bend	trans	-87.9	152.3	-176.7	-63.5	-38.7	0	0	0	111.7	W498 S499 S502 E506	W498-N504 VanDerWaalsContact CA-O 3.24Å; W498-N504 WeakPolarHBondContact CA-O 3.42Å; W498-N504 WeakPolarHBondContact CB-O 3.4Å; S499-N504 PolarHBondContact N-O 3.47Å; S502-N504 PolarHBondContact O-N 3.23Å; S502-N504 WeakPolarHBondContact OG-CB 3.34Å; S502-N504 PolarHBondContact OG-N 2.85Å; N504-E506 PolarHBondContact O-N 2.92Å
505	L	95.8	Very high	95.3	Very high	68 Å²	68	45.2 Å²	45.2	36%	0.356	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.6	168.3	-177.2	75.9	0	0	0	109.2	A465 Y496 I497 W498	A465-L505 HydrophobicContact CB-CB 4.23Å; A465-L505 HydrophobicContact CB-CD1 4.07Å; A465-L505 HydrophobicContact CB-CD2 3.94Å; A465-L505 HydrophobicContact CB-CG 4.31Å; Y496-L505 HydrophobicContact CD1-CD1 3.76Å; Y496-L505 HydrophobicContact CD1-CD2 4.19Å; Y496-L505 HydrophobicContact CG-CD1 4.34Å; I497-L505 WeakPolarHBondContact O-CD1 3.3Å; W498-L505 HydrophobicContact CD2-CD1 4.02Å; W498-L505 HydrophobicContact CG-CD1 4.3Å; W498-L505 HydrophobicContact CZ2-CD1 4.18Å
506	E	94.9	Very high	95.3	Very high	91 Å²	91	45.2 Å²	45.2	43%	0.425	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-44.8	178.7	-68.6	-66.3	160	0	0	111.2	L245 Y485 I497 N504	L245-E506 HydrophobicContact CD1-CB 4.34Å; L245-E506 HydrophobicContact CD2-CB 4.34Å; Y485-E506 HydrophobicContact CD1-CG 4.3Å; Y485-E506 HydrophobicContact CE1-CG 4.08Å; I497-E506 PolarHBondContact O-N 3.44Å; N504-E506 PolarHBondContact O-N 2.92Å
507	I	94.9	Very high	95.3	Very high	35 Å²	35	45.1 Å²	45.1	18%	0.179	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	148.2	-178.2	-169.9	160.6	0	0	0	111.9	L245 R247 I497 L509	L245-I507 HydrophobicContact CD2-CG2 4.29Å; R247-I507 HydrophobicContact CB-CD1 4.46Å; R247-I507 HydrophobicContact CG-CD1 3.81Å; I497-I507 HydrophobicContact CB-CG2 3.7Å; I497-I507 HydrophobicContact CD1-CG2 3.8Å; I497-I507 HydrophobicContact CG1-CG2 4.02Å; I497-I507 HydrophobicContact CG2-CG2 4.38Å; I497-I507 PolarHBondContact N-O 2.92Å; I497-I507 PolarHBondContact O-N 3.36Å; I507-L509 HydrophobicContact CD1-CD2 3.66Å; I507-L509 HydrophobicContact CG1-CD2 3.88Å; I507-L509 HydrophobicContact CG1-CG 4.42Å
508	C	95.2	Very high	95.3	Very high	34 Å²	34	45.4 Å²	45.4	23%	0.23	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	110.2	169.2	-179.3	0	0	0	0	108.5	V495 Y496 R510	V495-C508 CarbonylContact O-C 3.51Å; V495-C508 WeakPolarHBondContact O-CA 3.38Å; Y496-C508 HydrophobicContact CD1-CB 4.14Å; Y496-C508 HydrophobicContact CE1-CB 4.17Å; Y496-C508 VanDerWaalsContact CE1-SG 3.55Å; Y496-C508 VanDerWaalsContact CZ-SG 3.54Å; C508-R510 VanDerWaalsContact SG-CZ 3.58Å; C508-R510 PolarHBondContact SG-NH2 3.28Å; C508-R510 VanDerWaalsContact SG-NH2 3.4Å
509	L	95.9	Very high	95.2	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.4	179.9	-56.2	172.7	0	0	0	109.7	P246 G494 V495 I497 I507 W540	P246-L509 HydrophobicContact CB-CD1 4.26Å; P246-L509 HydrophobicContact CG-CD1 4.06Å; P246-L509 WeakPolarHBondContact O-CD2 3.47Å; G494-L509 CarbonylContact C-O 3.57Å; G494-L509 WeakPolarHBondContact CA-O 3.24Å; V495-L509 HydrophobicContact CB-CB 4.19Å; V495-L509 PolarHBondContact N-O 2.85Å; V495-L509 PolarHBondContact O-N 2.88Å; I497-L509 HydrophobicContact CD1-CD1 4.14Å; I507-L509 HydrophobicContact CD1-CD2 3.66Å; I507-L509 HydrophobicContact CG1-CD2 3.88Å; I507-L509 HydrophobicContact CG1-CG 4.42Å; L509-W540 HydrophobicContact CB-CD2 4.22Å; L509-W540 HydrophobicContact CB-CE3 3.9Å; L509-W540 HydrophobicContact CB-CH2 3.7Å; L509-W540 HydrophobicContact CB-CZ2 4.08Å; L509-W540 HydrophobicContact CB-CZ3 3.64Å; L509-W540 HydrophobicContact CD1-CB 4.08Å; L509-W540 HydrophobicContact CD1-CD2 3.67Å; L509-W540 HydrophobicContact CD1-CE3 3.81Å; L509-W540 HydrophobicContact CD1-CG 3.8Å; L509-W540 HydrophobicContact CD1-CZ3 4.42Å; L509-W540 HydrophobicContact CD2-CE3 4.33Å; L509-W540 HydrophobicContact CG-CD2 4.49Å; L509-W540 HydrophobicContact CG-CE3 4.24Å; L509-W540 HydrophobicContact CG-CZ3 4.42Å
510	R	94.4	Very high	95.3	Very high	151 Å²	151	46.3 Å²	46.3	57%	0.57	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.8	107	-172.7	-63.8	-175.3	179.7	-77.7	-5.7	110.4	D492 Y496 C508	D492-R510 IonicContact OD2-CZ 2.79Å; D492-R510 IonicContact OD2-NH1 3.33Å; D492-R510 PolarHBondContact OD2-NH1 3.24Å; D492-R510 IonicContact OD2-NH2 3.91Å; Y496-R510 PolarHBondContact OH-NH2 2.95Å; C508-R510 VanDerWaalsContact SG-CZ 3.58Å; C508-R510 PolarHBondContact SG-NH2 3.28Å; C508-R510 VanDerWaalsContact SG-NH2 3.4Å
511	D	94.4	Very high	95.4	Very high	52 Å²	52	45.4 Å²	45.4	28%	0.278	25%	0.245	S	C	.	.			trans	-160.6	-24	175.1	-166.2	-112.8	0	0	0	113.2	V249 K252 I538 W540	V249-D511 HydrophobicContact CG2-CB 3.88Å; K252-D511 WeakPolarHBondContact CD-OD1 3.33Å; K252-D511 WeakPolarHBondContact CE-OD1 3.49Å; K252-D511 IonicContact NZ-OD1 2.89Å; K252-D511 PolarHBondContact NZ-OD1 3.05Å; K252-D511 IonicContact NZ-OD2 3.51Å; K252-D511 PolarHBondContact NZ-OD2 3.42Å; D511-I538 HydrophobicContact CB-CD1 3.97Å; D511-I538 VanDerWaalsContact OD1-CD1 3.26Å; D511-I538 WeakPolarHBondContact OD1-CD1 3.35Å; D511-W540 HydrophobicContact CB-CH2 3.4Å; D511-W540 VanDerWaalsContact CB-CH2 3.4Å; D511-W540 HydrophobicContact CB-CZ2 4.32Å; D511-W540 HydrophobicContact CB-CZ3 3.95Å
512	H	95.7	Very high	95.5	Very high	14 Å²	14	40 Å²	40	7%	0.065	21%	0.212	C	C	.	.			trans	-63.4	147.5	168.9	-76.9	-67.9	0	0	0	111.6	G493 V516 S530 E532 I538	G493-H512 WeakPolarHBondContact O-CB 3.47Å; H512-V516 HydrophobicContact CB-CG2 3.94Å; H512-V516 VanDerWaalsContact CD2-CG2 3.46Å; H512-V516 WeakPolarHBondContact CD2-CG2 3.4Å; H512-S530 PolarHBondContact CD2-OG 3.46Å; H512-S530 PolarHBondContact NE2-OG 3.03Å; H512-E532 HydrophobicContact CB-CB 4.35Å; H512-E532 IonicContact CG-OE2 3.78Å; H512-E532 WeakPolarHBondContact ND1-CB 3.33Å; H512-E532 IonicContact ND1-OE2 3.33Å; H512-E532 PolarHBondContact ND1-OE2 3.35Å; H512-I538 VanDerWaalsContact CE1-CG1 3.5Å; H512-I538 WeakPolarHBondContact CE1-CG1 3.23Å
513	T	94	Very high	95.5	Very high	101 Å²	101	39.8 Å²	39.8	62%	0.62	21%	0.21	S	C	*	.	S	Bend	trans	-102.9	-1.1	-177.6	47.5	0	0	0	0	112.9	E532	T513-E532 PolarHBondContact N-OE2 3.25Å; T513-E532 PolarHBondContact OG1-OE2 3.44Å
514	N	95.2	Very high	95.4	Very high	51 Å²	51	42 Å²	42	27%	0.273	22%	0.217	S	C	.	.	S	Bend	trans	-148	175.8	-179.3	-150.9	-60.5	0	0	0	110.1	G493 V516 E532 I534	G493-N514 WeakPolarHBondContact CA-O 3.22Å; N514-V516 PolarHBondContact O-N 3.15Å; N514-E532 HydrophobicContact CB-CB 4.27Å; N514-I534 HydrophobicContact CB-CD1 4.14Å; N514-I534 HydrophobicContact CB-CG1 4.16Å; N514-I534 WeakPolarHBondContact ND2-CD1 3.28Å; N514-I534 WeakPolarHBondContact ND2-CG1 2.98Å
515	I	96.7	Very high	95.2	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.087	19%	0.191	C	C	.	.			trans	-52.3	128	179.3	-53.7	168.4	0	0	0	110.2	L472 H491 E532 R533	L472-I515 HydrophobicContact CD1-CB 4.31Å; L472-I515 HydrophobicContact CD1-CG2 3.78Å; L472-I515 HydrophobicContact CD2-CD1 4.21Å; L472-I515 HydrophobicContact CG-CD1 4.18Å; L472-I515 HydrophobicContact CG-CG2 3.91Å; H491-I515 WeakPolarHBondContact O-CG1 3.45Å; I515-E532 CarbonylContact O-C 3.56Å; I515-E532 VanDerWaalsContact O-CA 3.29Å; I515-E532 WeakPolarHBondContact O-CA 3.26Å; I515-R533 PolarHBondContact O-N 2.94Å
516	V	97.6	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	123.9	175.2	179	0	0	0	0	109.3	G489 G490 V495 H512 N514 C531	G489-V516 VanDerWaalsContact CA-CB 3.47Å; G490-V516 PolarHBondContact O-N 2.66Å; G490-V516 VanDerWaalsContact O-N 3.09Å; V495-V516 HydrophobicContact CG2-CG1 4.22Å; V495-V516 HydrophobicContact CG2-CG2 4.22Å; H512-V516 HydrophobicContact CB-CG2 3.94Å; H512-V516 VanDerWaalsContact CD2-CG2 3.46Å; H512-V516 WeakPolarHBondContact CD2-CG2 3.4Å; N514-V516 PolarHBondContact O-N 3.15Å; V516-C531 CarbonylContact C-O 3.5Å; V516-C531 WeakPolarHBondContact CA-O 3.47Å; V516-C531 WeakPolarHBondContact CG1-O 3.39Å
517	V	96.7	Very high	94.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-45.8	-172.2	-175.4	0	0	0	0	111.5	N261 L472 I474 V475 R476 C531 R533	N261-V517 WeakPolarHBondContact O-CG1 3.48Å; L472-V517 HydrophobicContact CD1-CG2 3.79Å; I474-V517 HydrophobicContact CD1-CG1 3.61Å; I474-V517 HydrophobicContact CG1-CG1 3.91Å; V475-V517 CarbonylContact C-O 3.56Å; V475-V517 VanDerWaalsContact CA-O 3.23Å; V475-V517 WeakPolarHBondContact CA-O 3.35Å; R476-V517 PolarHBondContact N-O 2.98Å; V517-C531 PolarHBondContact N-O 3.49Å; V517-R533 VanDerWaalsContact CG2-CA 3.49Å; V517-R533 HydrophobicContact CG2-CB 3.78Å; V517-R533 HydrophobicContact CG2-CG 4.43Å
518	C	97.1	Very high	94.9	Very high	6 Å²	6	30.1 Å²	30.1	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	140.2	-173.7	-178.9	0	0	0	0	109	V263 R476 S530 C531	V263-C518 HydrophobicContact CG2-CB 4.22Å; V263-C518 PolarHBondContact O-SG 3.15Å; V263-C518 VanDerWaalsContact O-SG 3.41Å; R476-C518 HydrophobicContact CB-CB 4.15Å; C518-S530 CarbonylContact O-C 3.57Å; C518-S530 VanDerWaalsContact O-CA 3.26Å; C518-S530 WeakPolarHBondContact O-CA 3.49Å; C518-C531 PolarHBondContact O-N 2.89Å
519	C	96.8	Very high	95	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.4	167.4	54.5	0	0	0	0	109.8	R476 C478 A487 L528 V529	R476-C519 PolarHBondContact O-N 3.34Å; C478-C519 WeakPolarHBondContact CB-O 3.05Å; C478-C519 PolarHBondContact SG-O 3.12Å; A487-C519 VanDerWaalsContact C-SG 3.51Å; A487-C519 PolarHBondContact O-SG 3.2Å; C519-L528 HydrophobicContact CB-CD1 4.29Å; C519-V529 CarbonylContact C-O 3.59Å; C519-V529 WeakPolarHBondContact CA-O 3.37Å
520	H	97.6	Very high	95.1	Very high	29 Å²	29	28.2 Å²	28.2	13%	0.134	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	126.8	174.5	-166.9	-87.6	0	0	0	110.1	R264 F265 C478 V529	R264-H520 PolarHBondContact NE-CD2 3.14Å; R264-H520 PolarHBondContact NE-NE2 3.25Å; F265-H520 PolarHBondContact N-ND1 3.36Å; C478-H520 VanDerWaalsContact SG-CA 3.59Å; H520-V529 HydrophobicContact CB-CG1 4.07Å; H520-V529 PolarHBondContact N-O 3Å; H520-V529 WeakPolarHBondContact O-CG1 3.42Å; H520-V529 PolarHBondContact O-N 3.37Å
521	W	96.8	Very high	95.2	Very high	5 Å²	5	21 Å²	21	2%	0.019	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	145.3	178.4	-137.9	-70.5	0	0	0	110.1	P246 F479 Y485 A487 I497 G525 L528	P246-W521 HydrophobicContact CG-CZ2 4.32Å; F479-W521 WeakPolarHBondContact O-CB 3.41Å; Y485-W521 HydrophobicContact CG-CH2 4.32Å; A487-W521 HydrophobicContact CB-CE3 4.2Å; A487-W521 HydrophobicContact CB-CZ3 3.98Å; I497-W521 HydrophobicContact CD1-CH2 3.97Å; I497-W521 HydrophobicContact CD1-CZ3 4.28Å; I497-W521 HydrophobicContact CG2-CH2 3.75Å; I497-W521 HydrophobicContact CG2-CZ3 4Å; W521-G525 PolarHBondContact NE1-O 3.28Å; W521-L528 HydrophobicContact CB-CD1 4.15Å; W521-L528 HydrophobicContact CD2-CD1 3.98Å; W521-L528 HydrophobicContact CE3-CD1 3.83Å; W521-L528 HydrophobicContact CG-CD1 4.16Å
522	N	95.1	Very high	95.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.105	C	C	.	.			trans	-70.9	130.6	169.8	-169.7	-44.7	0	0	0	108.3	F265 G269 P481 N524 G525 S527	F265-N522 HydrophobicContact CD1-CB 4.41Å; F265-N522 HydrophobicContact CD2-CB 3.94Å; F265-N522 HydrophobicContact CE1-CB 4.35Å; F265-N522 VanDerWaalsContact CE1-ND2 3.35Å; F265-N522 WeakPolarHBondContact CE1-ND2 3.26Å; F265-N522 HydrophobicContact CE2-CB 3.82Å; F265-N522 HydrophobicContact CG-CB 4.23Å; F265-N522 HydrophobicContact CZ-CB 4.07Å; G269-N522 WeakPolarHBondContact CA-OD1 3.32Å; G269-N522 PolarHBondContact O-ND2 3.2Å; P481-N522 WeakPolarHBondContact CG-O 3.36Å; N522-N524 WeakPolarHBondContact CB-OD1 3.42Å; N522-N524 PolarHBondContact ND2-ND2 3.44Å; N522-N524 PolarHBondContact O-N 2.88Å; N522-N524 PolarHBondContact OD1-N 3.19Å; N522-N524 PolarHBondContact OD1-ND2 2.94Å; N522-N524 PolarHBondContact OD1-OD1 3.49Å; N522-N524 VanDerWaalsContact OD1-OD1 3.05Å; N522-G525 PolarHBondContact O-N 2.81Å; N522-S527 WeakPolarHBondContact CB-O 3.31Å; N522-S527 PolarHBondContact N-O 3.45Å
523	P	93.6	Very high	95.1	Very high	50 Å²	50	22.4 Å²	22.4	33%	0.325	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.6	177.3	-31.2	38.7	0	0	0	115.3	T266 P267 P481 G525	T266-P523 WeakPolarHBondContact O-CG 3.45Å; P267-P523 WeakPolarHBondContact O-CB 3.42Å; P267-P523 WeakPolarHBondContact O-CG 3.46Å; P481-P523 WeakPolarHBondContact CG-O 3.49Å; P523-G525 PolarHBondContact O-N 2.68Å
524	N	90.5	Very high	95	Very high	66 Å²	66	21.6 Å²	21.6	35%	0.353	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-7.6	173.6	69	17.9	0	0	0	114.6	N522 N526	N522-N524 WeakPolarHBondContact CB-OD1 3.42Å; N522-N524 PolarHBondContact ND2-ND2 3.44Å; N522-N524 PolarHBondContact O-N 2.88Å; N522-N524 PolarHBondContact OD1-N 3.19Å; N522-N524 PolarHBondContact OD1-ND2 2.94Å; N522-N524 PolarHBondContact OD1-OD1 3.49Å; N522-N524 VanDerWaalsContact OD1-OD1 3.05Å; N524-N526 VanDerWaalsContact C-N 3.28Å; N524-N526 PolarHBondContact O-N 2.99Å; N524-N526 PolarHBondContact OD1-N 3.01Å
525	G	90.8	Very high	94.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	80.5	-8.7	177.7	0	0	0	0	0	115.7	S243 A244 W521 N522 P523	S243-G525 WeakPolarHBondContact CA-O 3.45Å; A244-G525 PolarHBondContact N-O 2.81Å; W521-G525 PolarHBondContact NE1-O 3.28Å; N522-G525 PolarHBondContact O-N 2.81Å; P523-G525 PolarHBondContact O-N 2.68Å
526	N	90.4	Very high	94.8	Very high	44 Å²	44	25.1 Å²	25.1	24%	0.235	12%	0.122	C	C	.	.	S	Bend	trans	-95.5	-10.7	-168.3	-68.9	-24.8	0	0	0	114.7	N524 S542	N524-N526 VanDerWaalsContact C-N 3.28Å; N524-N526 PolarHBondContact O-N 2.99Å; N524-N526 PolarHBondContact OD1-N 3.01Å; N526-S542 PolarHBondContact O-N 2.86Å; N526-S542 PolarHBondContact O-OG 2.68Å
527	S	93.6	Very high	94.8	Very high	4 Å²	4	25.1 Å²	25.1	3%	0.028	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	158.2	-176	-61.8	0	0	0	0	111.5	Y286 N522 W540	Y286-S527 PolarHBondContact OH-OG 3.15Å; N522-S527 WeakPolarHBondContact CB-O 3.31Å; N522-S527 PolarHBondContact N-O 3.45Å; S527-W540 CarbonylContact C-O 3.47Å; S527-W540 WeakPolarHBondContact CA-O 3.48Å; S527-W540 WeakPolarHBondContact CB-O 3.23Å
528	L	95.6	Very high	94.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	135.7	179	176.3	73.8	0	0	0	107.8	P246 A487 V495 I497 C519 W521 V539 W540	P246-L528 HydrophobicContact CB-CB 4.46Å; P246-L528 HydrophobicContact CG-CB 3.94Å; P246-L528 HydrophobicContact CG-CD2 4.2Å; A487-L528 HydrophobicContact CB-CD1 4.17Å; A487-L528 HydrophobicContact CB-CD2 4.05Å; V495-L528 HydrophobicContact CG1-CD2 3.72Å; I497-L528 HydrophobicContact CD1-CD2 3.99Å; C519-L528 HydrophobicContact CB-CD1 4.29Å; W521-L528 HydrophobicContact CB-CD1 4.15Å; W521-L528 HydrophobicContact CD2-CD1 3.98Å; W521-L528 HydrophobicContact CE3-CD1 3.83Å; W521-L528 HydrophobicContact CG-CD1 4.16Å; L528-V539 CarbonylContact O-C 3.46Å; L528-V539 WeakPolarHBondContact O-CA 3.38Å; L528-W540 HydrophobicContact CB-CB 4.38Å; L528-W540 PolarHBondContact N-O 3.49Å; L528-W540 VanDerWaalsContact O-CD1 3.31Å; L528-W540 PolarHBondContact O-N 3.14Å
529	V	96.9	Very high	94.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.3	170.7	67.2	0	0	0	0	108.9	V263 F265 F272 C519 H520 A537 I538 V539	V263-V529 HydrophobicContact CB-CG1 4.16Å; V263-V529 HydrophobicContact CB-CG2 4.28Å; V263-V529 HydrophobicContact CG2-CG1 4Å; V263-V529 HydrophobicContact CG2-CG2 4.28Å; F265-V529 HydrophobicContact CD2-CB 4.27Å; F265-V529 HydrophobicContact CD2-CG1 3.66Å; F265-V529 HydrophobicContact CE2-CB 3.51Å; F265-V529 HydrophobicContact CE2-CG1 3.42Å; F265-V529 VanDerWaalsContact CE2-CG1 3.42Å; F265-V529 HydrophobicContact CZ-CB 3.95Å; F265-V529 HydrophobicContact CZ-CG1 4.21Å; F272-V529 HydrophobicContact CD2-CG2 4.18Å; F272-V529 HydrophobicContact CE2-CG2 4.11Å; F272-V529 HydrophobicContact CZ-CG2 4.49Å; C519-V529 CarbonylContact C-O 3.59Å; C519-V529 WeakPolarHBondContact CA-O 3.37Å; H520-V529 HydrophobicContact CB-CG1 4.07Å; H520-V529 PolarHBondContact N-O 3Å; H520-V529 WeakPolarHBondContact O-CG1 3.42Å; H520-V529 PolarHBondContact O-N 3.37Å; V529-A537 HydrophobicContact CG2-CB 4.48Å; V529-I538 CarbonylContact C-O 3.58Å; V529-I538 WeakPolarHBondContact CA-O 3.48Å; V529-V539 HydrophobicContact CB-CG2 4.43Å; V529-V539 HydrophobicContact CG2-CG2 4.12Å
530	S	97.6	Very high	94.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	150.1	170.2	61.2	0	0	0	0	111	H512 C518 A537 I538 W540	H512-S530 PolarHBondContact CD2-OG 3.46Å; H512-S530 PolarHBondContact NE2-OG 3.03Å; C518-S530 CarbonylContact O-C 3.57Å; C518-S530 VanDerWaalsContact O-CA 3.26Å; C518-S530 WeakPolarHBondContact O-CA 3.49Å; S530-A537 CarbonylContact O-C 3.58Å; S530-A537 WeakPolarHBondContact O-CA 3.23Å; S530-A537 WeakPolarHBondContact O-CB 3.2Å; S530-I538 PolarHBondContact N-O 3.28Å; S530-I538 PolarHBondContact O-N 3.41Å; S530-W540 PolarHBondContact OG-NE1 3.37Å
531	C	96.7	Very high	94.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.2	172	62.5	0	0	0	0	112.3	V260 V263 V516 V517 C518 K536 A537	V260-C531 HydrophobicContact CB-CB 4.09Å; V260-C531 HydrophobicContact CG1-CB 3.64Å; V263-C531 HydrophobicContact CB-CB 4.5Å; V263-C531 HydrophobicContact CG1-CB 3.63Å; V263-C531 HydrophobicContact CG2-CB 4.07Å; V516-C531 CarbonylContact C-O 3.5Å; V516-C531 WeakPolarHBondContact CA-O 3.47Å; V516-C531 WeakPolarHBondContact CG1-O 3.39Å; V517-C531 PolarHBondContact N-O 3.49Å; C518-C531 PolarHBondContact O-N 2.89Å; C531-K536 WeakPolarHBondContact CA-O 3.45Å; C531-A537 HydrophobicContact CB-CB 4.25Å
532	E	95.4	Very high	93.8	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	160.3	167.5	66.2	-178.4	-155	0	0	110.9	H512 T513 N514 I515 I534 K536	H512-E532 HydrophobicContact CB-CB 4.35Å; H512-E532 IonicContact CG-OE2 3.78Å; H512-E532 WeakPolarHBondContact ND1-CB 3.33Å; H512-E532 IonicContact ND1-OE2 3.33Å; H512-E532 PolarHBondContact ND1-OE2 3.35Å; T513-E532 PolarHBondContact N-OE2 3.25Å; T513-E532 PolarHBondContact OG1-OE2 3.44Å; N514-E532 HydrophobicContact CB-CB 4.27Å; I515-E532 CarbonylContact O-C 3.56Å; I515-E532 VanDerWaalsContact O-CA 3.29Å; I515-E532 WeakPolarHBondContact O-CA 3.26Å; E532-I534 VanDerWaalsContact C-N 3.26Å; E532-I534 PolarHBondContact O-N 3.43Å; E532-K536 HydrophobicContact CG-CB 3.84Å; E532-K536 PolarHBondContact N-O 3.29Å; E532-K536 WeakPolarHBondContact OE1-CB 3.32Å; E532-K536 WeakPolarHBondContact OE1-CD 3.14Å; E532-K536 WeakPolarHBondContact OE1-CG 3.23Å
533	R	93	Very high	92.6	Very high	93 Å²	93	34.2 Å²	34.2	35%	0.351	17%	0.173	S	C	.	.	S	Bend	trans	-57.2	-35.9	-177	-175.3	175.9	177.3	-172.9	-9.3	113.7	E259 V260 L472 I515 V517	E259-R533 CarbonylContact C-O 3.58Å; E259-R533 WeakPolarHBondContact CA-O 3.17Å; E259-R533 WeakPolarHBondContact CB-O 3.35Å; E259-R533 VanDerWaalsContact CD-NE 3.35Å; E259-R533 HydrophobicContact CG-CG 4.21Å; E259-R533 WeakPolarHBondContact CG-O 3.41Å; E259-R533 IonicContact OE1-CZ 3.84Å; E259-R533 IonicContact OE1-NE 3.97Å; E259-R533 PolarHBondContact OE1-NE 2.88Å; E259-R533 IonicContact OE1-NH2 2.81Å; E259-R533 PolarHBondContact OE1-NH2 2.85Å; E259-R533 VanDerWaalsContact OE1-NH2 3.15Å; E259-R533 IonicContact OE2-CZ 3.72Å; E259-R533 IonicContact OE2-NE 3.51Å; E259-R533 PolarHBondContact OE2-NE 2.99Å; E259-R533 IonicContact OE2-NH2 2.82Å; E259-R533 PolarHBondContact OE2-NH2 3.25Å; V260-R533 PolarHBondContact N-O 2.96Å; V260-R533 VanDerWaalsContact N-O 3.1Å; L472-R533 HydrophobicContact CD1-CB 4.34Å; L472-R533 HydrophobicContact CD1-CG 4.34Å; I515-R533 PolarHBondContact O-N 2.94Å; V517-R533 VanDerWaalsContact CG2-CA 3.49Å; V517-R533 HydrophobicContact CG2-CB 3.78Å; V517-R533 HydrophobicContact CG2-CG 4.43Å
534	I	92.4	Very high	92.6	Very high	83 Å²	83	33.4 Å²	33.4	43%	0.426	17%	0.166	S	C	.	.	S	Bend	trans	-73.8	-63.9	-170.6	-60.9	179.9	0	0	0	112.4	N258 E259 N514 E532	N258-I534 CarbonylContact C-O 3.57Å; E259-I534 WeakPolarHBondContact CA-O 3.34Å; E259-I534 PolarHBondContact N-O 3.42Å; N514-I534 HydrophobicContact CB-CD1 4.14Å; N514-I534 HydrophobicContact CB-CG1 4.16Å; N514-I534 WeakPolarHBondContact ND2-CD1 3.28Å; N514-I534 WeakPolarHBondContact ND2-CG1 2.98Å; E532-I534 VanDerWaalsContact C-N 3.26Å; E532-I534 PolarHBondContact O-N 3.43Å
535	K	93	Very high	92.7	Very high	72 Å²	72	31.7 Å²	31.7	31%	0.313	16%	0.156	S	C	.	.	S	Bend	trans	-164.4	-21.8	-176.5	62.8	173.6	-177.8	155.1	0	115.4	D254 A255 N256	D254-K535 VanDerWaalsContact CG-NZ 3.33Å; D254-K535 VanDerWaalsContact OD1-CE 3.22Å; D254-K535 WeakPolarHBondContact OD1-CE 3.36Å; D254-K535 IonicContact OD1-NZ 2.62Å; D254-K535 PolarHBondContact OD1-NZ 2.91Å; D254-K535 IonicContact OD2-NZ 2.67Å; D254-K535 PolarHBondContact OD2-NZ 2.93Å; A255-K535 WeakPolarHBondContact CB-O 3.32Å; A255-K535 PolarHBondContact N-O 2.88Å; N256-K535 PolarHBondContact N-O 2.9Å; N256-K535 VanDerWaalsContact O-CB 3.24Å; N256-K535 WeakPolarHBondContact O-CB 3.28Å
536	K	94.4	Very high	92.8	Very high	70 Å²	70	33.4 Å²	33.4	30%	0.304	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	143.2	-171.1	-59.4	177.2	-177.3	166.2	0	112	I253 C531 E532	I253-K536 CarbonylContact O-C 3.59Å; I253-K536 VanDerWaalsContact O-CA 3.25Å; I253-K536 WeakPolarHBondContact O-CA 3.39Å; C531-K536 WeakPolarHBondContact CA-O 3.45Å; E532-K536 HydrophobicContact CG-CB 3.84Å; E532-K536 PolarHBondContact N-O 3.29Å; E532-K536 WeakPolarHBondContact OE1-CB 3.32Å; E532-K536 WeakPolarHBondContact OE1-CD 3.14Å; E532-K536 WeakPolarHBondContact OE1-CG 3.23Å
537	A	96	Very high	92.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146.1	159	0	0	0	0	0	109.7	I253 A255 V263 V529 S530 C531	I253-A537 HydrophobicContact CD1-CB 4.11Å; I253-A537 HydrophobicContact CG1-CB 3.88Å; I253-A537 VanDerWaalsContact CG1-O 3.32Å; I253-A537 WeakPolarHBondContact CG1-O 3.32Å; I253-A537 PolarHBondContact N-O 3.4Å; I253-A537 PolarHBondContact O-N 3.12Å; A255-A537 HydrophobicContact CB-CB 3.78Å; V263-A537 HydrophobicContact CG1-CB 4.28Å; V529-A537 HydrophobicContact CG2-CB 4.48Å; S530-A537 CarbonylContact O-C 3.58Å; S530-A537 WeakPolarHBondContact O-CA 3.23Å; S530-A537 WeakPolarHBondContact O-CB 3.2Å; C531-A537 HydrophobicContact CB-CB 4.25Å
538	I	96.3	Very high	92.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.1	178.8	-63	177	0	0	0	107.5	V249 V251 K252 D511 H512 V529 S530 W540	V249-I538 HydrophobicContact CB-CG2 4.45Å; V249-I538 HydrophobicContact CG1-CG2 3.83Å; V249-I538 HydrophobicContact CG2-CG2 4.15Å; V251-I538 WeakPolarHBondContact O-CA 3.4Å; K252-I538 HydrophobicContact CG-CG1 4.3Å; D511-I538 HydrophobicContact CB-CD1 3.97Å; D511-I538 VanDerWaalsContact OD1-CD1 3.26Å; D511-I538 WeakPolarHBondContact OD1-CD1 3.35Å; H512-I538 VanDerWaalsContact CE1-CG1 3.5Å; H512-I538 WeakPolarHBondContact CE1-CG1 3.23Å; V529-I538 CarbonylContact C-O 3.58Å; V529-I538 WeakPolarHBondContact CA-O 3.48Å; S530-I538 PolarHBondContact N-O 3.28Å; S530-I538 PolarHBondContact O-N 3.41Å; I538-W540 HydrophobicContact CB-CZ2 4.2Å; I538-W540 HydrophobicContact CD1-CH2 4.43Å; I538-W540 HydrophobicContact CD1-CZ2 4.07Å; I538-W540 HydrophobicContact CG2-CD2 3.74Å; I538-W540 VanDerWaalsContact CG2-CE2 3.49Å; I538-W540 HydrophobicContact CG2-CE3 4.22Å; I538-W540 HydrophobicContact CG2-CG 4.19Å; I538-W540 HydrophobicContact CG2-CH2 4.32Å; I538-W540 HydrophobicContact CG2-CZ2 3.81Å; I538-W540 HydrophobicContact CG2-CZ3 4.48Å
539	V	96.1	Very high	92.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.2	165.7	-173.6	0	0	0	0	107.5	A250 V251 F265 F272 Y286 L528 V529	A250-V539 WeakPolarHBondContact CA-O 3.18Å; A250-V539 WeakPolarHBondContact CB-O 3.47Å; A250-V539 PolarHBondContact N-O 2.99Å; V251-V539 PolarHBondContact N-O 3.4Å; V251-V539 PolarHBondContact O-N 2.98Å; F265-V539 HydrophobicContact CZ-CG1 4.35Å; F272-V539 HydrophobicContact CE1-CG2 3.85Å; F272-V539 HydrophobicContact CZ-CG2 4.02Å; Y286-V539 HydrophobicContact CD1-CG1 4.32Å; Y286-V539 HydrophobicContact CD2-CB 4.45Å; Y286-V539 HydrophobicContact CD2-CG1 4.08Å; Y286-V539 HydrophobicContact CD2-CG2 4.36Å; Y286-V539 HydrophobicContact CE1-CG1 3.84Å; Y286-V539 HydrophobicContact CE2-CB 4.1Å; Y286-V539 HydrophobicContact CE2-CG1 3.58Å; Y286-V539 HydrophobicContact CG-CG1 4.42Å; Y286-V539 VanDerWaalsContact CZ-CG1 3.43Å; L528-V539 CarbonylContact O-C 3.46Å; L528-V539 WeakPolarHBondContact O-CA 3.38Å; V529-V539 HydrophobicContact CB-CG2 4.43Å; V529-V539 HydrophobicContact CG2-CG2 4.12Å
540	W	95.6	Very high	92.4	Very high	5 Å²	5	39.5 Å²	39.5	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	140.3	175.4	-47.5	88.5	0	0	0	109.1	P246 N248 V249 V495 L509 D511 S527 L528 S530 I538	P246-W540 HydrophobicContact CB-CB 3.62Å; P246-W540 HydrophobicContact CG-CB 4.4Å; N248-W540 CarbonylContact O-C 3.59Å; N248-W540 VanDerWaalsContact O-CA 3.31Å; N248-W540 WeakPolarHBondContact O-CA 3.46Å; V249-W540 HydrophobicContact CG2-CE3 3.74Å; V249-W540 HydrophobicContact CG2-CH2 4.09Å; V249-W540 HydrophobicContact CG2-CZ3 3.39Å; V495-W540 HydrophobicContact CG2-CZ2 4.09Å; L509-W540 HydrophobicContact CB-CD2 4.22Å; L509-W540 HydrophobicContact CB-CE3 3.9Å; L509-W540 HydrophobicContact CB-CH2 3.7Å; L509-W540 HydrophobicContact CB-CZ2 4.08Å; L509-W540 HydrophobicContact CB-CZ3 3.64Å; L509-W540 HydrophobicContact CD1-CB 4.08Å; L509-W540 HydrophobicContact CD1-CD2 3.67Å; L509-W540 HydrophobicContact CD1-CE3 3.81Å; L509-W540 HydrophobicContact CD1-CG 3.8Å; L509-W540 HydrophobicContact CD1-CZ3 4.42Å; L509-W540 HydrophobicContact CD2-CE3 4.33Å; L509-W540 HydrophobicContact CG-CD2 4.49Å; L509-W540 HydrophobicContact CG-CE3 4.24Å; L509-W540 HydrophobicContact CG-CZ3 4.42Å; D511-W540 HydrophobicContact CB-CH2 3.4Å; D511-W540 VanDerWaalsContact CB-CH2 3.4Å; D511-W540 HydrophobicContact CB-CZ2 4.32Å; D511-W540 HydrophobicContact CB-CZ3 3.95Å; S527-W540 CarbonylContact C-O 3.47Å; S527-W540 WeakPolarHBondContact CA-O 3.48Å; S527-W540 WeakPolarHBondContact CB-O 3.23Å; L528-W540 HydrophobicContact CB-CB 4.38Å; L528-W540 PolarHBondContact N-O 3.49Å; L528-W540 VanDerWaalsContact O-CD1 3.31Å; L528-W540 PolarHBondContact O-N 3.14Å; S530-W540 PolarHBondContact OG-NE1 3.37Å; I538-W540 HydrophobicContact CB-CZ2 4.2Å; I538-W540 HydrophobicContact CD1-CH2 4.43Å; I538-W540 HydrophobicContact CD1-CZ2 4.07Å; I538-W540 HydrophobicContact CG2-CD2 3.74Å; I538-W540 VanDerWaalsContact CG2-CE2 3.49Å; I538-W540 HydrophobicContact CG2-CE3 4.22Å; I538-W540 HydrophobicContact CG2-CG 4.19Å; I538-W540 HydrophobicContact CG2-CH2 4.32Å; I538-W540 HydrophobicContact CG2-CZ2 3.81Å; I538-W540 HydrophobicContact CG2-CZ3 4.48Å
541	S	92	Very high	92	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.6	176.2	-169.9	0	0	0	0	111.1	P246 R247 N248 L543	P246-S541 WeakPolarHBondContact CA-O 3.5Å; R247-S541 PolarHBondContact N-O 2.84Å; N248-S541 PolarHBondContact N-O 3.1Å; N248-S541 VanDerWaalsContact N-O 3.09Å; N248-S541 PolarHBondContact O-N 3.18Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact OG-N 2.97Å
542	S	84.5	Confident	91.6	Very high	33 Å²	33	46.1 Å²	46.1	23%	0.231	22%	0.224	C	C	.	.			trans	-80.5	-16.7	170.6	52.5	0	0	0	0	113	A244 L245 N526	A244-S542 VanDerWaalsContact CB-CB 3.44Å; A244-S542 WeakPolarHBondContact CB-OG 3.43Å; L245-S542 WeakPolarHBondContact O-CB 3.4Å; N526-S542 PolarHBondContact O-N 2.86Å; N526-S542 PolarHBondContact O-OG 2.68Å
543	L	70.5	Confident	91.2	Very high	183 Å²	183	50.1 Å²	50.1	96%	0.958	24%	0.244	S	C	*	.			trans	-81.3	0	-177.7	-66.8	170	0	0	0	113.6	N248 S541	N248-L543 PolarHBondContact ND2-O 3.07Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact OG-N 2.97Å

Retrieved 543 of 543 residues in 980.2 ms (Link to these results)

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