A0A3Q0KMB7_SCHMA Loading...

RNA 3'-terminal phosphate cyclase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 370 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	41	Very low	66.2	Low	231 Å²	231	111.1 Å²	111.1	100%	1.138	60%	0.599	S	S	*	*				0	-15.1	0	-93.2	173.7	172.4	0	0	113.8
2	A	43.2	Very low	68.7	Low	97 Å²	97	101.9 Å²	101.9	80%	0.802	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-83.8	-9.9	-174.8	0	0	0	0	0	116.6	L4	A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 3.48Å
3	E	46.9	Very low	70.7	Confident	165 Å²	165	96.5 Å²	96.5	77%	0.771	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-85	-0	-179.4	-77.9	-176.5	156.1	0	0	114.8
4	L	45.9	Very low	72.3	Confident	64 Å²	64	89.6 Å²	89.6	34%	0.335	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-83.3	-14.3	-176.7	-87.5	157.6	0	0	0	114.3	A2 R82 I84	A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 3.48Å; L4-R82 PolarHBondContact O-NH2 3.09Å; L4-R82 VanDerWaalsContact O-NH2 3.09Å; L4-I84 HydrophobicContact CD2-CD1 3.79Å
5	D	49.5	Very low	73.4	Confident	155 Å²	155	86.5 Å²	86.5	83%	0.829	47%	0.471	S	S	*	.	S	Bend	trans	-96.5	-7.4	-172.2	-86.6	-6.9	0	0	0	115
6	S	59.5	Low	74.2	Confident	97 Å²	97	83.4 Å²	83.4	68%	0.678	46%	0.455	S	S	*	.	S	Bend	trans	-87.3	-4.1	-175.7	72.6	0	0	0	0	115.2
7	F	64.2	Low	74.9	Confident	97 Å²	97	84.1 Å²	84.1	43%	0.425	46%	0.456	S	S	.	.	S	Bend	trans	-96	123.9	-179.3	-66	-79.7	0	0	0	110.7	V9 P37	F7-V9 PolarHBondContact O-N 2.89Å; F7-P37 HydrophobicContact CB-CG 4.04Å; F7-P37 HydrophobicContact CD1-CG 4.32Å; F7-P37 HydrophobicContact CG-CG 4.35Å
8	H	87.7	Confident	75.3	Confident	162 Å²	162	80 Å²	80	75%	0.75	43%	0.433	S	S	*	.			trans	-63	105.5	167.3	-174.3	77.1	0	0	0	108.9
9	V	94.9	Very high	75.6	Confident	29 Å²	29	76.4 Å²	76.4	18%	0.176	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-90.7	123.2	178.5	179.6	0	0	0	0	108.7	F7 P37 I38 E39 R82	F7-V9 PolarHBondContact O-N 2.89Å; V9-P37 HydrophobicContact CG2-CB 4.13Å; V9-I38 VanDerWaalsContact CG1-C 3.5Å; V9-E39 HydrophobicContact CG1-CB 3.76Å; V9-R82 VanDerWaalsContact CG2-NH2 3.33Å
10	T	97.5	Very high	76	Confident	31 Å²	31	72.7 Å²	72.7	19%	0.19	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.5	174	-54.3	0	0	0	0	110.1	P37 I38 E39 L336	T10-P37 PolarHBondContact N-O 2.86Å; T10-I38 VanDerWaalsContact O-CA 3.28Å; T10-I38 WeakPolarHBondContact O-CA 3.29Å; T10-E39 PolarHBondContact O-N 3.46Å; T10-L336 HydrophobicContact CG2-CD2 3.7Å
11	L	97.5	Very high	76.6	Confident	94 Å²	94	69.7 Å²	69.7	49%	0.492	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	138.6	177.5	-58.3	-176.8	0	0	0	110.7	E39 Y41 H335	L11-E39 CarbonylContact C-O 3.51Å; L11-E39 WeakPolarHBondContact CA-O 3.37Å; L11-E39 HydrophobicContact CD2-CB 3.9Å; L11-E39 HydrophobicContact CD2-CG 4.38Å; L11-Y41 HydrophobicContact CB-CE1 4.05Å; L11-H335 PolarHBondContact O-NE2 3.26Å
12	V	96.3	Very high	79.2	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.006	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.8	177.4	-177.2	0	0	0	0	109.1	G14 I23 A27 E39 V40 Y41 L336	V12-G14 PolarHBondContact O-N 2.84Å; V12-I23 HydrophobicContact CG1-CD1 3.78Å; V12-I23 HydrophobicContact CG1-CG1 3.72Å; V12-A27 HydrophobicContact CG1-CB 4.49Å; V12-E39 PolarHBondContact N-O 2.86Å; V12-V40 HydrophobicContact CB-CG1 4.41Å; V12-V40 HydrophobicContact CB-CG2 4.13Å; V12-V40 HydrophobicContact CG1-CG1 4.43Å; V12-V40 WeakPolarHBondContact O-CA 3.31Å; V12-Y41 WeakPolarHBondContact O-CD1 3.46Å; V12-Y41 PolarHBondContact O-N 2.99Å; V12-Y41 VanDerWaalsContact O-N 3.11Å; V12-L336 HydrophobicContact CG2-CD2 3.9Å
13	D	94.9	Very high	81.7	Confident	31 Å²	31	54.2 Å²	54.2	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	108.1	179.2	-165	-29.2	0	0	0	111.2	S15 V16 I23 Y41 N42	D13-S15 VanDerWaalsContact CG-OG 3.3Å; D13-S15 PolarHBondContact O-N 3.21Å; D13-S15 VanDerWaalsContact OD1-CB 3.31Å; D13-S15 WeakPolarHBondContact OD1-CB 3.45Å; D13-S15 PolarHBondContact OD1-N 3.35Å; D13-S15 PolarHBondContact OD1-OG 2.76Å; D13-S15 PolarHBondContact OD2-OG 2.74Å; D13-V16 HydrophobicContact CB-CG2 3.81Å; D13-V16 PolarHBondContact O-N 2.61Å; D13-I23 WeakPolarHBondContact O-CD1 3.25Å; D13-Y41 HydrophobicContact CB-CE1 4.18Å; D13-Y41 HydrophobicContact CB-CE2 4.06Å; D13-Y41 WeakPolarHBondContact CB-OH 3.34Å; D13-Y41 PolarHBondContact OD2-OH 3.33Å; D13-N42 WeakPolarHBondContact OD1-CB 3.23Å; D13-N42 PolarHBondContact OD1-ND2 3.05Å
14	G	93.2	Very high	84	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-4.5	178.9	0	0	0	0	0	115.4	V12 S19 Y41 N42	V12-G14 PolarHBondContact O-N 2.84Å; G14-S19 WeakPolarHBondContact O-CA 3.3Å; G14-Y41 VanDerWaalsContact CA-O 3.22Å; G14-Y41 WeakPolarHBondContact CA-O 3.39Å; G14-Y41 PolarHBondContact N-O 2.96Å; G14-N42 CarbonylContact C-O 3.57Å; G14-N42 VanDerWaalsContact C-O 3.23Å
15	S	89.3	Confident	86.4	Confident	43 Å²	43	44.2 Å²	44.2	30%	0.301	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.4	173.6	69.9	0	0	0	0	113.5	D13 S19 N42	D13-S15 VanDerWaalsContact CG-OG 3.3Å; D13-S15 PolarHBondContact O-N 3.21Å; D13-S15 VanDerWaalsContact OD1-CB 3.31Å; D13-S15 WeakPolarHBondContact OD1-CB 3.45Å; D13-S15 PolarHBondContact OD1-N 3.35Å; D13-S15 PolarHBondContact OD1-OG 2.76Å; D13-S15 PolarHBondContact OD2-OG 2.74Å; S15-S19 VanDerWaalsContact C-OG 3.31Å; S15-S19 VanDerWaalsContact CA-OG 3.31Å; S15-S19 WeakPolarHBondContact CA-OG 3.44Å; S15-S19 PolarHBondContact O-OG 2.81Å; S15-N42 PolarHBondContact N-O 3.24Å
16	V	86.1	Confident	88.8	Confident	37 Å²	37	37.1 Å²	37.1	22%	0.224	20%	0.202	C	C	.	.	S	Bend	trans	-65.1	141.3	-175.9	172.3	0	0	0	0	110.9	D13 E18 S19 Y331	D13-V16 HydrophobicContact CB-CG2 3.81Å; D13-V16 PolarHBondContact O-N 2.61Å; V16-E18 PolarHBondContact O-N 3.49Å; V16-S19 PolarHBondContact O-N 3.15Å; V16-Y331 HydrophobicContact CB-CE1 4.09Å; V16-Y331 HydrophobicContact CG1-CD1 3.86Å; V16-Y331 HydrophobicContact CG1-CD2 4.25Å; V16-Y331 HydrophobicContact CG1-CE1 3.81Å; V16-Y331 HydrophobicContact CG1-CE2 4.2Å; V16-Y331 HydrophobicContact CG1-CG 4.09Å; V16-Y331 HydrophobicContact CG2-CE1 4.44Å
17	M	86	Confident	90.6	Very high	95 Å²	95	32.5 Å²	32.5	47%	0.468	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	-114.7	177.5	-60.1	-66.7	177.8	0	0	113.7	S19 L324 K327 T328	M17-S19 PolarHBondContact O-N 3.08Å; M17-L324 HydrophobicContact CB-CD1 4.06Å; M17-L324 HydrophobicContact CB-CG 4.47Å; M17-L324 HydrophobicContact SD-CD1 4.2Å; M17-K327 HydrophobicContact SD-CB 4.15Å; M17-T328 HydrophobicContact CB-CG2 4.49Å; M17-T328 WeakPolarHBondContact CB-OG1 3.42Å
18	E	81.9	Confident	92.2	Very high	11 Å²	11	27.9 Å²	27.9	5%	0.051	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.1	-174	64.9	136.8	-169.3	0	0	114.8	V16 G20 G21 Q22 R47 L324 H325 T328	V16-E18 PolarHBondContact O-N 3.49Å; E18-G20 VanDerWaalsContact CD-CA 3.45Å; E18-G20 PolarHBondContact O-N 3.22Å; E18-G20 VanDerWaalsContact OE1-CA 3.24Å; E18-G20 WeakPolarHBondContact OE1-CA 3.05Å; E18-G21 PolarHBondContact OE1-N 2.84Å; E18-Q22 WeakPolarHBondContact OE1-CB 3.31Å; E18-Q22 PolarHBondContact OE1-N 2.96Å; E18-R47 PolarHBondContact O-NE 3.46Å; E18-R47 VanDerWaalsContact O-NE 3.09Å; E18-R47 PolarHBondContact O-NH2 3.22Å; E18-R47 IonicContact OE2-NH2 3.37Å; E18-R47 PolarHBondContact OE2-NH2 3.41Å; E18-R47 VanDerWaalsContact OE2-NH2 3.11Å; E18-L324 VanDerWaalsContact CA-CD2 3.46Å; E18-L324 HydrophobicContact CB-CB 4.39Å; E18-L324 HydrophobicContact CB-CD2 3.69Å; E18-L324 HydrophobicContact CB-CG 3.74Å; E18-H325 IonicContact OE1-CD2 2.67Å; E18-H325 IonicContact OE2-CD2 3.88Å; E18-H325 PolarHBondContact OE2-CD2 3.41Å; E18-H325 IonicContact OE2-NE2 2.68Å; E18-H325 PolarHBondContact OE2-NE2 3.41Å; E18-H325 VanDerWaalsContact OE2-NE2 3.13Å; E18-T328 HydrophobicContact CG-CG2 4.12Å; E18-T328 WeakPolarHBondContact CG-OG1 3.14Å; E18-T328 PolarHBondContact N-OG1 2.62Å
19	S	81.1	Confident	92.7	Very high	12 Å²	12	20.2 Å²	20.2	8%	0.084	11%	0.114	C	C	.	.			trans	47.1	39.9	-174.5	-87.1	0	0	0	0	111	G14 S15 V16 M17 R44 G46 R47	G14-S19 WeakPolarHBondContact O-CA 3.3Å; S15-S19 VanDerWaalsContact C-OG 3.31Å; S15-S19 VanDerWaalsContact CA-OG 3.31Å; S15-S19 WeakPolarHBondContact CA-OG 3.44Å; S15-S19 PolarHBondContact O-OG 2.81Å; V16-S19 PolarHBondContact O-N 3.15Å; M17-S19 PolarHBondContact O-N 3.08Å; S19-R44 VanDerWaalsContact O-CA 3.27Å; S19-R44 WeakPolarHBondContact O-CA 3.17Å; S19-G46 PolarHBondContact OG-N 2.92Å; S19-R47 WeakPolarHBondContact O-CG 3.5Å
20	G	83.4	Confident	92.9	Very high	2 Å²	2	18.8 Å²	18.8	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	-121.4	-156.9	-163.1	0	0	0	0	0	113.8	E18	E18-G20 VanDerWaalsContact CD-CA 3.45Å; E18-G20 PolarHBondContact O-N 3.22Å; E18-G20 VanDerWaalsContact OE1-CA 3.24Å; E18-G20 WeakPolarHBondContact OE1-CA 3.05Å
21	G	89.7	Confident	93	Very high	9 Å²	9	17.4 Å²	17.4	9%	0.093	10%	0.097	C	C	.	.	S	Bend	trans	-85.3	-18.6	-179.4	0	0	0	0	0	113.3	E18 I23 L24 R25	E18-G21 PolarHBondContact OE1-N 2.84Å; G21-I23 VanDerWaalsContact C-N 3.34Å; G21-I23 PolarHBondContact O-N 2.97Å; G21-L24 PolarHBondContact O-N 3.24Å; G21-R25 WeakPolarHBondContact O-CG 3.45Å; G21-R25 PolarHBondContact O-N 2.91Å; G21-R25 VanDerWaalsContact O-N 3.15Å; G21-R25 PolarHBondContact O-NH1 3.16Å
22	Q	94.1	Very high	93	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.014	7%	0.074	C	C	.	.	H	α-helix	trans	-63.2	-42.3	-174.9	-166.8	65.2	39.9	0	0	111.5	E18 L24 R25 N26 D302 T328 A329	E18-Q22 WeakPolarHBondContact OE1-CB 3.31Å; E18-Q22 PolarHBondContact OE1-N 2.96Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.47Å; Q22-R25 PolarHBondContact O-N 2.88Å; Q22-N26 PolarHBondContact NE2-OD1 2.63Å; Q22-N26 PolarHBondContact O-N 3.22Å; Q22-D302 VanDerWaalsContact CD-OD2 3.31Å; Q22-D302 PolarHBondContact OE1-OD2 2.84Å; Q22-T328 HydrophobicContact CB-CG2 4.22Å; Q22-A329 HydrophobicContact CG-CB 4.34Å
23	I	95.3	Very high	93.1	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-58.9	-43.3	179	-169.9	144.5	0	0	0	111.9	V12 D13 G21 A27 T328 Y331 V332	V12-I23 HydrophobicContact CG1-CD1 3.78Å; V12-I23 HydrophobicContact CG1-CG1 3.72Å; D13-I23 WeakPolarHBondContact O-CD1 3.25Å; G21-I23 VanDerWaalsContact C-N 3.34Å; G21-I23 PolarHBondContact O-N 2.97Å; I23-A27 WeakPolarHBondContact O-CB 3.31Å; I23-A27 PolarHBondContact O-N 3.07Å; I23-T328 HydrophobicContact CB-CG2 3.98Å; I23-Y331 HydrophobicContact CD1-CD1 4.3Å; I23-Y331 HydrophobicContact CD1-CE1 4.07Å; I23-V332 HydrophobicContact CB-CG2 4.23Å; I23-V332 HydrophobicContact CD1-CG2 3.96Å; I23-V332 HydrophobicContact CG1-CG2 3.64Å
24	L	96	Very high	93.3	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-63.9	-51	178.9	-70.2	170.6	0	0	0	111.3	G21 Q22 A27 V28 V40 I43 L52 H56 L60 I81	G21-L24 PolarHBondContact O-N 3.24Å; Q22-L24 VanDerWaalsContact C-N 3.31Å; Q22-L24 PolarHBondContact O-N 3.47Å; L24-A27 PolarHBondContact O-N 2.98Å; L24-V28 WeakPolarHBondContact O-CG2 3.38Å; L24-V28 PolarHBondContact O-N 3.22Å; L24-V40 HydrophobicContact CD2-CB 4.26Å; L24-V40 HydrophobicContact CD2-CG1 3.97Å; L24-V40 HydrophobicContact CD2-CG2 4.45Å; L24-I43 HydrophobicContact CD1-CG2 3.79Å; L24-I43 HydrophobicContact CD2-CD1 3.84Å; L24-I43 HydrophobicContact CD2-CG1 3.98Å; L24-I43 HydrophobicContact CD2-CG2 4.25Å; L24-I43 HydrophobicContact CG-CG2 4.36Å; L24-L52 HydrophobicContact CD1-CD2 3.51Å; L24-L52 HydrophobicContact CD2-CD2 4.27Å; L24-H56 HydrophobicContact CD1-CB 4.09Å; L24-L60 HydrophobicContact CB-CD2 4.44Å; L24-L60 HydrophobicContact CD2-CD1 4.41Å; L24-I81 HydrophobicContact CD2-CG1 4.44Å
25	R	97.4	Very high	93.5	Very high	16 Å²	16	15.4 Å²	15.4	6%	0.06	9%	0.085	C	C	.	.	H	α-helix	trans	-57.1	-57.2	-178.3	-67.5	-172.6	-68.9	-84.5	5.5	109.9	G21 Q22 A27 V28 S29 L105 A109	G21-R25 WeakPolarHBondContact O-CG 3.45Å; G21-R25 PolarHBondContact O-N 2.91Å; G21-R25 VanDerWaalsContact O-N 3.15Å; G21-R25 PolarHBondContact O-NH1 3.16Å; Q22-R25 PolarHBondContact O-N 2.88Å; R25-A27 PolarHBondContact O-N 2.99Å; R25-V28 WeakPolarHBondContact O-CG2 3.28Å; R25-V28 PolarHBondContact O-N 2.98Å; R25-S29 WeakPolarHBondContact O-CB 2.99Å; R25-S29 PolarHBondContact O-N 2.91Å; R25-S29 PolarHBondContact O-OG 3.12Å; R25-L105 WeakPolarHBondContact CD-O 3.38Å; R25-A109 HydrophobicContact CB-CB 4.08Å; R25-A109 HydrophobicContact CG-CB 4.02Å
26	N	98.2	Very high	93.8	Very high	6 Å²	6	18.5 Å²	18.5	3%	0.032	9%	0.092	C	C	.	.	H	α-helix	trans	-62.6	-43.5	-177.2	-70.4	9.9	0	0	0	111.9	Q22 S29 I30 A329 V332	Q22-N26 PolarHBondContact NE2-OD1 2.63Å; Q22-N26 PolarHBondContact O-N 3.22Å; N26-S29 PolarHBondContact O-N 2.92Å; N26-I30 WeakPolarHBondContact O-CB 3.49Å; N26-I30 VanDerWaalsContact O-CG1 3.27Å; N26-I30 WeakPolarHBondContact O-CG1 3.47Å; N26-I30 PolarHBondContact O-N 3.36Å; N26-A329 WeakPolarHBondContact ND2-CA 3.4Å; N26-A329 VanDerWaalsContact ND2-CB 3.3Å; N26-A329 WeakPolarHBondContact ND2-CB 3.36Å; N26-V332 HydrophobicContact CB-CB 4.25Å; N26-V332 HydrophobicContact CB-CG1 3.79Å
27	A	98	Very high	94.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.9	-47.5	-177.1	0	0	0	0	0	111.6	V12 I23 L24 R25 I30 A31 I38 V40 V332 L336	V12-A27 HydrophobicContact CG1-CB 4.49Å; I23-A27 WeakPolarHBondContact O-CB 3.31Å; I23-A27 PolarHBondContact O-N 3.07Å; L24-A27 PolarHBondContact O-N 2.98Å; R25-A27 PolarHBondContact O-N 2.99Å; A27-I30 PolarHBondContact O-N 2.86Å; A27-A31 VanDerWaalsContact O-CB 3.23Å; A27-A31 WeakPolarHBondContact O-CB 3.33Å; A27-A31 PolarHBondContact O-N 2.93Å; A27-I38 HydrophobicContact CB-CD1 3.78Å; A27-I38 WeakPolarHBondContact O-CD1 3.41Å; A27-V40 HydrophobicContact CB-CG2 4.18Å; A27-V332 HydrophobicContact CB-CG1 4.09Å; A27-L336 HydrophobicContact CB-CD1 3.94Å
28	V	98.3	Very high	95	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	6%	0.064	C	C	.	.	H	α-helix	trans	-70.5	-34.4	179.2	-58	0	0	0	0	112.8	L24 R25 A32 I38 L60 V63 I81 L83	L24-V28 WeakPolarHBondContact O-CG2 3.38Å; L24-V28 PolarHBondContact O-N 3.22Å; R25-V28 WeakPolarHBondContact O-CG2 3.28Å; R25-V28 PolarHBondContact O-N 2.98Å; V28-A32 VanDerWaalsContact O-CB 3.24Å; V28-A32 WeakPolarHBondContact O-CB 3.34Å; V28-A32 PolarHBondContact O-N 3.23Å; V28-I38 HydrophobicContact CG1-CD1 4.19Å; V28-L60 HydrophobicContact CB-CD2 4.07Å; V28-L60 HydrophobicContact CG1-CD2 3.52Å; V28-L60 HydrophobicContact CG2-CD2 3.48Å; V28-L60 VanDerWaalsContact CG2-CD2 3.48Å; V28-V63 HydrophobicContact CB-CG1 4.13Å; V28-V63 HydrophobicContact CG2-CB 4.15Å; V28-V63 HydrophobicContact CG2-CG1 3.99Å; V28-V63 HydrophobicContact CG2-CG2 4.08Å; V28-I81 HydrophobicContact CG1-CD1 4.27Å; V28-L83 HydrophobicContact CB-CD2 3.87Å; V28-L83 HydrophobicContact CG1-CD2 4.06Å
29	S	98.7	Very high	95.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-49.5	174.7	-57.1	0	0	0	0	110.7	R25 N26 A32 I33 A109 M306	R25-S29 WeakPolarHBondContact O-CB 2.99Å; R25-S29 PolarHBondContact O-N 2.91Å; R25-S29 PolarHBondContact O-OG 3.12Å; N26-S29 PolarHBondContact O-N 2.92Å; S29-A32 PolarHBondContact O-N 3.15Å; S29-I33 WeakPolarHBondContact O-CD1 3.2Å; S29-I33 VanDerWaalsContact O-CG1 3.27Å; S29-I33 WeakPolarHBondContact O-CG1 3.2Å; S29-I33 PolarHBondContact O-N 3.21Å; S29-A109 WeakPolarHBondContact OG-CA 3.31Å; S29-A109 PolarHBondContact OG-O 3.28Å; S29-M306 VanDerWaalsContact CB-SD 3.52Å
30	I	98.7	Very high	96.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-64.8	-43.7	179.5	-69.1	168.6	0	0	0	110.8	N26 A27 A32 I33 T34 M306 V332 L336 L337	N26-I30 WeakPolarHBondContact O-CB 3.49Å; N26-I30 VanDerWaalsContact O-CG1 3.27Å; N26-I30 WeakPolarHBondContact O-CG1 3.47Å; N26-I30 PolarHBondContact O-N 3.36Å; A27-I30 PolarHBondContact O-N 2.86Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 2.83Å; I30-I33 PolarHBondContact O-N 2.69Å; I30-T34 HydrophobicContact CG2-CG2 4.14Å; I30-T34 WeakPolarHBondContact O-CB 3.32Å; I30-T34 WeakPolarHBondContact O-CG2 3.47Å; I30-T34 PolarHBondContact O-N 3.23Å; I30-T34 PolarHBondContact O-OG1 2.96Å; I30-M306 HydrophobicContact CD1-CG 4.37Å; I30-M306 HydrophobicContact CD1-SD 4.37Å; I30-M306 HydrophobicContact CG1-CG 4.06Å; I30-M306 HydrophobicContact CG1-SD 3.71Å; I30-V332 HydrophobicContact CD1-CG1 4.21Å; I30-L336 HydrophobicContact CB-CB 4.47Å; I30-L336 HydrophobicContact CB-CD1 4.09Å; I30-L336 HydrophobicContact CD1-CD1 4.43Å; I30-L336 HydrophobicContact CG2-CB 3.61Å; I30-L336 HydrophobicContact CG2-CD1 4.06Å; I30-L337 HydrophobicContact CD1-CD1 4.17Å; I30-L337 HydrophobicContact CD1-CG 4.43Å; I30-L337 HydrophobicContact CG1-CD1 4.39Å; I30-L337 HydrophobicContact CG2-CD1 4.46Å; I30-L337 HydrophobicContact CG2-CD2 3.71Å; I30-L337 HydrophobicContact CG2-CG 3.87Å
31	A	98.6	Very high	97.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-58	-47.3	176	0	0	0	0	0	111.5	A27 T34 K35 K36 I38 L83 P85	A27-A31 VanDerWaalsContact O-CB 3.23Å; A27-A31 WeakPolarHBondContact O-CB 3.33Å; A27-A31 PolarHBondContact O-N 2.93Å; A31-T34 PolarHBondContact O-N 3.49Å; A31-K35 VanDerWaalsContact O-CA 3.31Å; A31-K35 WeakPolarHBondContact O-CA 3.26Å; A31-K35 PolarHBondContact O-N 2.95Å; A31-K36 WeakPolarHBondContact CB-O 3.24Å; A31-K36 PolarHBondContact O-N 3.47Å; A31-I38 HydrophobicContact CB-CB 4.36Å; A31-I38 HydrophobicContact CB-CD1 3.69Å; A31-I38 HydrophobicContact CB-CG1 3.67Å; A31-I38 HydrophobicContact CB-CG2 3.82Å; A31-L83 HydrophobicContact CB-CD2 4.31Å; A31-P85 VanDerWaalsContact O-CG 3.29Å; A31-P85 WeakPolarHBondContact O-CG 3.44Å
32	A	98.6	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.4	-44.7	177.6	0	0	0	0	0	112.7	V28 S29 I30 V63 C67 V113	V28-A32 VanDerWaalsContact O-CB 3.24Å; V28-A32 WeakPolarHBondContact O-CB 3.34Å; V28-A32 PolarHBondContact O-N 3.23Å; S29-A32 PolarHBondContact O-N 3.15Å; I30-A32 VanDerWaalsContact C-N 3.34Å; I30-A32 PolarHBondContact O-N 2.83Å; A32-V63 HydrophobicContact CB-CG1 3.78Å; A32-C67 HydrophobicContact CB-CB 3.79Å; A32-V113 HydrophobicContact CB-CB 4.49Å; A32-V113 HydrophobicContact CB-CG1 3.71Å; A32-V113 HydrophobicContact CB-CG2 3.88Å
33	I	98.5	Very high	97.6	Very high	4 Å²	4	21 Å²	21	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-65.9	-44.9	178.9	-68.5	164.9	0	0	0	111.3	S29 I30 P112 V113 F116 L310 Y360	S29-I33 WeakPolarHBondContact O-CD1 3.2Å; S29-I33 VanDerWaalsContact O-CG1 3.27Å; S29-I33 WeakPolarHBondContact O-CG1 3.2Å; S29-I33 PolarHBondContact O-N 3.21Å; I30-I33 PolarHBondContact O-N 2.69Å; I33-P112 HydrophobicContact CD1-CB 4.09Å; I33-V113 HydrophobicContact CG1-CG2 4.31Å; I33-F116 HydrophobicContact CD1-CD2 4.13Å; I33-F116 HydrophobicContact CD1-CE2 4.29Å; I33-F116 HydrophobicContact CG1-CD2 4.24Å; I33-F116 HydrophobicContact CG1-CG 4.37Å; I33-F116 HydrophobicContact CG2-CD1 3.9Å; I33-F116 HydrophobicContact CG2-CD2 4.27Å; I33-F116 HydrophobicContact CG2-CE1 4.07Å; I33-F116 HydrophobicContact CG2-CE2 4.38Å; I33-F116 HydrophobicContact CG2-CG 4.02Å; I33-F116 HydrophobicContact CG2-CZ 4.28Å; I33-L310 HydrophobicContact CD1-CD1 3.72Å; I33-L310 HydrophobicContact CG2-CD2 4.16Å; I33-Y360 HydrophobicContact CG2-CD1 3.61Å; I33-Y360 HydrophobicContact CG2-CE1 3.78Å; I33-Y360 HydrophobicContact CG2-CG 4.42Å; I33-Y360 WeakPolarHBondContact O-CE1 3.35Å; I33-Y360 PolarHBondContact O-OH 2.95Å
34	T	97.6	Very high	97.5	Very high	15 Å²	15	22.3 Å²	22.3	9%	0.092	10%	0.102	C	C	.	.	H	α-helix	trans	-87.7	-6.9	-174.1	60.7	0	0	0	0	114.2	I30 A31 K36 L337 Y360	I30-T34 HydrophobicContact CG2-CG2 4.14Å; I30-T34 WeakPolarHBondContact O-CB 3.32Å; I30-T34 WeakPolarHBondContact O-CG2 3.47Å; I30-T34 PolarHBondContact O-N 3.23Å; I30-T34 PolarHBondContact O-OG1 2.96Å; A31-T34 PolarHBondContact O-N 3.49Å; T34-K36 PolarHBondContact O-N 3.27Å; T34-L337 HydrophobicContact CG2-CD2 3.57Å; T34-Y360 HydrophobicContact CG2-CD2 4.47Å; T34-Y360 HydrophobicContact CG2-CE2 4.23Å
35	K	97.2	Very high	97.3	Very high	66 Å²	66	24.5 Å²	24.5	29%	0.287	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	30.6	-172.9	-55.7	-179	176.2	177.5	0	113.9	A31 P85 E363	A31-K35 VanDerWaalsContact O-CA 3.31Å; A31-K35 WeakPolarHBondContact O-CA 3.26Å; A31-K35 PolarHBondContact O-N 2.95Å; K35-P85 VanDerWaalsContact C-CG 3.45Å; K35-E363 VanDerWaalsContact CE-OE1 3.3Å; K35-E363 WeakPolarHBondContact CE-OE1 3.42Å; K35-E363 IonicContact NZ-OE1 2.74Å; K35-E363 PolarHBondContact NZ-OE1 3.37Å; K35-E363 IonicContact NZ-OE2 3.14Å; K35-E363 PolarHBondContact NZ-OE2 3.36Å
36	K	97.6	Very high	96.8	Very high	107 Å²	107	26.7 Å²	26.7	47%	0.465	15%	0.148	S	C	.	.			trans	-99.7	123.6	179	-68.1	-178.2	-178	178.5	0	110.4	A31 T34	A31-K36 WeakPolarHBondContact CB-O 3.24Å; A31-K36 PolarHBondContact O-N 3.47Å; T34-K36 PolarHBondContact O-N 3.27Å
37	P	98.3	Very high	96.3	Very high	14 Å²	14	31.7 Å²	31.7	9%	0.091	17%	0.166	C	C	.	.			trans	-62.6	138	176.2	-27.6	39.5	0	0	0	112.6	F7 V9 T10 L83 I84	F7-P37 HydrophobicContact CB-CG 4.04Å; F7-P37 HydrophobicContact CD1-CG 4.32Å; F7-P37 HydrophobicContact CG-CG 4.35Å; V9-P37 HydrophobicContact CG2-CB 4.13Å; T10-P37 PolarHBondContact N-O 2.86Å; P37-L83 WeakPolarHBondContact CA-O 3.38Å; P37-I84 HydrophobicContact CB-CG1 4.34Å; P37-I84 HydrophobicContact CG-CG2 4.17Å
38	I	98.3	Very high	95.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155	177.9	62.6	163.9	0	0	0	112.1	V9 T10 A27 V28 A31 V40 R82 L83 L336	V9-I38 VanDerWaalsContact CG1-C 3.5Å; T10-I38 VanDerWaalsContact O-CA 3.28Å; T10-I38 WeakPolarHBondContact O-CA 3.29Å; A27-I38 HydrophobicContact CB-CD1 3.78Å; A27-I38 WeakPolarHBondContact O-CD1 3.41Å; V28-I38 HydrophobicContact CG1-CD1 4.19Å; A31-I38 HydrophobicContact CB-CB 4.36Å; A31-I38 HydrophobicContact CB-CD1 3.69Å; A31-I38 HydrophobicContact CB-CG1 3.67Å; A31-I38 HydrophobicContact CB-CG2 3.82Å; I38-V40 HydrophobicContact CD1-CG2 4.14Å; I38-R82 WeakPolarHBondContact O-CA 3.34Å; I38-L83 HydrophobicContact CG1-CB 4.15Å; I38-L83 PolarHBondContact N-O 3.48Å; I38-L83 PolarHBondContact O-N 3.41Å; I38-L336 HydrophobicContact CG2-CD2 4.1Å
39	E	98.2	Very high	95.5	Very high	58 Å²	58	44 Å²	44	27%	0.271	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.7	164.8	178.6	167.5	139.5	0	0	109.1	V9 T10 L11 V12 I81 R82	V9-E39 HydrophobicContact CG1-CB 3.76Å; T10-E39 PolarHBondContact O-N 3.46Å; L11-E39 CarbonylContact C-O 3.51Å; L11-E39 WeakPolarHBondContact CA-O 3.37Å; L11-E39 HydrophobicContact CD2-CB 3.9Å; L11-E39 HydrophobicContact CD2-CG 4.38Å; V12-E39 PolarHBondContact N-O 2.86Å; E39-I81 CarbonylContact C-O 3.58Å; E39-I81 WeakPolarHBondContact CA-O 3.38Å; E39-I81 WeakPolarHBondContact CG-O 3.46Å; E39-R82 HydrophobicContact CB-CB 4.36Å; E39-R82 HydrophobicContact CB-CG 4.39Å; E39-R82 HydrophobicContact CG-CB 4.42Å
40	V	97.5	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.9	173.8	-169.2	0	0	0	0	107.7	V12 L24 A27 I38 I43 K80 I81	V12-V40 HydrophobicContact CB-CG1 4.41Å; V12-V40 HydrophobicContact CB-CG2 4.13Å; V12-V40 HydrophobicContact CG1-CG1 4.43Å; V12-V40 WeakPolarHBondContact O-CA 3.31Å; L24-V40 HydrophobicContact CD2-CB 4.26Å; L24-V40 HydrophobicContact CD2-CG1 3.97Å; L24-V40 HydrophobicContact CD2-CG2 4.45Å; A27-V40 HydrophobicContact CB-CG2 4.18Å; I38-V40 HydrophobicContact CD1-CG2 4.14Å; V40-I43 HydrophobicContact CB-CG1 4.49Å; V40-I43 HydrophobicContact CG1-CG1 4.03Å; V40-K80 CarbonylContact O-C 3.52Å; V40-K80 WeakPolarHBondContact O-CA 3.28Å; V40-I81 HydrophobicContact CB-CD1 4.08Å; V40-I81 HydrophobicContact CB-CG1 4.03Å; V40-I81 HydrophobicContact CG2-CD1 3.79Å; V40-I81 HydrophobicContact CG2-CG1 4.27Å; V40-I81 PolarHBondContact N-O 3.38Å; V40-I81 PolarHBondContact O-N 3.02Å
41	Y	96.6	Very high	95.1	Very high	78 Å²	78	47 Å²	47	31%	0.306	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	174	177.2	65.4	-83.1	0	0	0	110.6	L11 V12 D13 G14 I43 T79	L11-Y41 HydrophobicContact CB-CE1 4.05Å; V12-Y41 WeakPolarHBondContact O-CD1 3.46Å; V12-Y41 PolarHBondContact O-N 2.99Å; V12-Y41 VanDerWaalsContact O-N 3.11Å; D13-Y41 HydrophobicContact CB-CE1 4.18Å; D13-Y41 HydrophobicContact CB-CE2 4.06Å; D13-Y41 WeakPolarHBondContact CB-OH 3.34Å; D13-Y41 PolarHBondContact OD2-OH 3.33Å; G14-Y41 VanDerWaalsContact CA-O 3.22Å; G14-Y41 WeakPolarHBondContact CA-O 3.39Å; G14-Y41 PolarHBondContact N-O 2.96Å; Y41-I43 PolarHBondContact O-N 2.71Å; Y41-I43 VanDerWaalsContact O-N 3.14Å; Y41-T79 CarbonylContact C-O 3.59Å
42	N	95.9	Very high	95	Very high	70 Å²	70	47 Å²	47	37%	0.374	25%	0.246	S	C	.	.	S	Bend	trans	52.8	34	-176.2	-66.2	-22.5	0	0	0	114.4	D13 G14 S15 R44 A45 T79	D13-N42 WeakPolarHBondContact OD1-CB 3.23Å; D13-N42 PolarHBondContact OD1-ND2 3.05Å; G14-N42 CarbonylContact C-O 3.57Å; G14-N42 VanDerWaalsContact C-O 3.23Å; S15-N42 PolarHBondContact N-O 3.24Å; N42-R44 PolarHBondContact O-N 3.38Å; N42-A45 HydrophobicContact CB-CB 4.1Å; N42-A45 WeakPolarHBondContact O-CB 3.27Å; N42-A45 PolarHBondContact O-N 3.29Å; N42-A45 VanDerWaalsContact O-N 3.09Å; N42-T79 PolarHBondContact N-O 2.58Å; N42-T79 VanDerWaalsContact N-O 3.07Å
43	I	95.6	Very high	94.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	117.3	-175.3	-62.8	172.8	0	0	0	109.9	L24 V40 Y41 A45 G51 L52 T79 I81	L24-I43 HydrophobicContact CD1-CG2 3.79Å; L24-I43 HydrophobicContact CD2-CD1 3.84Å; L24-I43 HydrophobicContact CD2-CG1 3.98Å; L24-I43 HydrophobicContact CD2-CG2 4.25Å; L24-I43 HydrophobicContact CG-CG2 4.36Å; V40-I43 HydrophobicContact CB-CG1 4.49Å; V40-I43 HydrophobicContact CG1-CG1 4.03Å; Y41-I43 PolarHBondContact O-N 2.71Å; Y41-I43 VanDerWaalsContact O-N 3.14Å; I43-A45 PolarHBondContact O-N 3.07Å; I43-G51 WeakPolarHBondContact O-CA 3.33Å; I43-G51 PolarHBondContact O-N 2.7Å; I43-L52 HydrophobicContact CD1-CD2 4.11Å; I43-L52 HydrophobicContact CD1-CG 4.4Å; I43-L52 HydrophobicContact CG2-CD2 4.01Å; I43-T79 WeakPolarHBondContact CG1-O 3.27Å; I43-T79 PolarHBondContact N-O 2.81Å; I43-I81 HydrophobicContact CD1-CB 4.43Å; I43-I81 HydrophobicContact CD1-CG1 4Å; I43-I81 HydrophobicContact CD1-CG2 3.99Å
44	R	93.7	Very high	94.6	Very high	29 Å²	29	52.5 Å²	52.5	11%	0.109	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	30	178.5	-60.2	178.3	60	-110.4	-7.9	114.3	S19 N42 G46 R47 N49 P50 G51 R53	S19-R44 VanDerWaalsContact O-CA 3.27Å; S19-R44 WeakPolarHBondContact O-CA 3.17Å; N42-R44 PolarHBondContact O-N 3.38Å; R44-G46 VanDerWaalsContact C-N 3.25Å; R44-G46 PolarHBondContact O-N 3.45Å; R44-R47 HydrophobicContact CB-CB 4.34Å; R44-R47 HydrophobicContact CB-CG 4.17Å; R44-R47 PolarHBondContact O-N 2.89Å; R44-N49 VanDerWaalsContact CZ-O 3.3Å; R44-N49 PolarHBondContact NH1-O 3.32Å; R44-N49 PolarHBondContact NH2-O 2.96Å; R44-P50 WeakPolarHBondContact O-CA 3.46Å; R44-G51 WeakPolarHBondContact CD-O 3.46Å; R44-G51 PolarHBondContact NH1-O 2.94Å; R44-R53 VanDerWaalsContact NH1-CD 3.32Å; R44-R53 VanDerWaalsContact NH1-CG 3.28Å
45	A	91.7	Very high	94.5	Very high	48 Å²	48	53.6 Å²	53.6	40%	0.397	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.7	-178.4	0	0	0	0	0	113.5	N42 I43 R47	N42-A45 HydrophobicContact CB-CB 4.1Å; N42-A45 WeakPolarHBondContact O-CB 3.27Å; N42-A45 PolarHBondContact O-N 3.29Å; N42-A45 VanDerWaalsContact O-N 3.09Å; I43-A45 PolarHBondContact O-N 3.07Å; A45-R47 VanDerWaalsContact C-N 3.31Å; A45-R47 PolarHBondContact O-N 2.9Å
46	G	86.6	Confident	94.4	Very high	62 Å²	62	51 Å²	51	64%	0.639	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	3	177.1	0	0	0	0	0	115.9	S19 R44	S19-G46 PolarHBondContact OG-N 2.92Å; R44-G46 VanDerWaalsContact C-N 3.25Å; R44-G46 PolarHBondContact O-N 3.45Å
47	R	88.7	Confident	94.4	Very high	111 Å²	111	46.2 Å²	46.2	42%	0.419	24%	0.243	S	C	.	.	S	Bend	trans	-102.1	151.8	-179.5	-59	-67.3	-174.2	145.4	4	110.2	E18 S19 R44 A45 N49 P50	E18-R47 PolarHBondContact O-NE 3.46Å; E18-R47 VanDerWaalsContact O-NE 3.09Å; E18-R47 PolarHBondContact O-NH2 3.22Å; E18-R47 IonicContact OE2-NH2 3.37Å; E18-R47 PolarHBondContact OE2-NH2 3.41Å; E18-R47 VanDerWaalsContact OE2-NH2 3.11Å; S19-R47 WeakPolarHBondContact O-CG 3.5Å; R44-R47 HydrophobicContact CB-CB 4.34Å; R44-R47 HydrophobicContact CB-CG 4.17Å; R44-R47 PolarHBondContact O-N 2.89Å; A45-R47 VanDerWaalsContact C-N 3.31Å; A45-R47 PolarHBondContact O-N 2.9Å; R47-N49 PolarHBondContact O-N 2.89Å; R47-P50 WeakPolarHBondContact O-CD 3.16Å
48	Q	87.9	Confident	94.4	Very high	184 Å²	184	45.9 Å²	45.9	86%	0.86	24%	0.242	S	C	*	.	S	Bend	trans	-48.5	-35.4	179.4	-172.9	-171.9	16.2	0	0	113.9
49	N	90.7	Very high	94.4	Very high	75 Å²	75	46 Å²	46	40%	0.401	24%	0.242	S	C	.	.	S	Bend	trans	-125.1	95.8	176.9	-71.7	-65.7	0	0	0	108.7	R44 R47 R53	R44-N49 VanDerWaalsContact CZ-O 3.3Å; R44-N49 PolarHBondContact NH1-O 3.32Å; R44-N49 PolarHBondContact NH2-O 2.96Å; R47-N49 PolarHBondContact O-N 2.89Å; N49-R53 VanDerWaalsContact CB-CZ 3.43Å; N49-R53 PolarHBondContact ND2-NH2 3.39Å; N49-R53 VanDerWaalsContact ND2-NH2 3.14Å
50	P	94.1	Very high	94.4	Very high	63 Å²	63	43.4 Å²	43.4	41%	0.409	23%	0.231	S	C	.	.			trans	-62.2	170.2	179.3	-24.9	35.7	0	0	0	113.9	R44 R47 T79	R44-P50 WeakPolarHBondContact O-CA 3.46Å; R47-P50 WeakPolarHBondContact O-CD 3.16Å; P50-T79 HydrophobicContact CB-CG2 4.47Å
51	G	96.1	Very high	94.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	79	177.8	176.3	0	0	0	0	0	115.1	I43 R44 S78	I43-G51 WeakPolarHBondContact O-CA 3.33Å; I43-G51 PolarHBondContact O-N 2.7Å; R44-G51 WeakPolarHBondContact CD-O 3.46Å; R44-G51 PolarHBondContact NH1-O 2.94Å; G51-S78 CarbonylContact C-O 3.56Å; G51-S78 WeakPolarHBondContact CA-O 3.5Å
52	L	96.2	Very high	94.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.237	C	C	.	.			trans	-59.7	142.3	-178.2	-63.7	179.2	0	0	0	112.1	L24 I43 H56 L60 C74 A75 G77 S78 I81	L24-L52 HydrophobicContact CD1-CD2 3.51Å; L24-L52 HydrophobicContact CD2-CD2 4.27Å; I43-L52 HydrophobicContact CD1-CD2 4.11Å; I43-L52 HydrophobicContact CD1-CG 4.4Å; I43-L52 HydrophobicContact CG2-CD2 4.01Å; L52-H56 HydrophobicContact CB-CB 4.34Å; L52-H56 HydrophobicContact CD2-CB 3.72Å; L52-L60 HydrophobicContact CD1-CD1 4.18Å; L52-L60 HydrophobicContact CD2-CD1 3.88Å; L52-C74 HydrophobicContact CD1-CB 4.45Å; L52-A75 WeakPolarHBondContact CB-O 3.39Å; L52-A75 WeakPolarHBondContact CD1-O 3.2Å; L52-G77 PolarHBondContact O-N 3.19Å; L52-S78 PolarHBondContact N-O 3.28Å; L52-I81 HydrophobicContact CD1-CG2 3.79Å
53	R	94.8	Very high	94.6	Very high	96 Å²	96	40.9 Å²	40.9	36%	0.362	22%	0.219	S	C	.	.			trans	-101.3	168.1	164.7	-62	-51.7	-152.5	174.6	13.4	108.7	R44 N49 Q55 H56 A57	R44-R53 VanDerWaalsContact NH1-CD 3.32Å; R44-R53 VanDerWaalsContact NH1-CG 3.28Å; N49-R53 VanDerWaalsContact CB-CZ 3.43Å; N49-R53 PolarHBondContact ND2-NH2 3.39Å; N49-R53 VanDerWaalsContact ND2-NH2 3.14Å; R53-Q55 VanDerWaalsContact C-N 3.33Å; R53-Q55 PolarHBondContact O-N 3.25Å; R53-H56 PolarHBondContact N-ND1 3.31Å; R53-H56 VanDerWaalsContact N-ND1 3.15Å; R53-H56 WeakPolarHBondContact O-CA 3.37Å; R53-H56 WeakPolarHBondContact O-CB 3.39Å; R53-H56 PolarHBondContact O-N 3.33Å; R53-A57 PolarHBondContact O-N 2.89Å
54	S	94.2	Very high	94.8	Very high	23 Å²	23	41.3 Å²	41.3	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-55.3	-44	-176.2	65.7	0	0	0	0	113.4	H56 A57 A58 A97 T99	S54-H56 VanDerWaalsContact C-N 3.26Å; S54-H56 PolarHBondContact O-N 2.99Å; S54-A57 PolarHBondContact O-N 3.31Å; S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 3.34Å; S54-A97 WeakPolarHBondContact CB-O 3.44Å; S54-A97 PolarHBondContact OG-O 3.32Å; S54-A97 VanDerWaalsContact OG-O 3.07Å; S54-T99 PolarHBondContact OG-OG1 3.46Å
55	Q	94.6	Very high	95	Very high	38 Å²	38	45.2 Å²	45.2	18%	0.178	24%	0.237	C	C	.	.	H	α-helix	trans	-62.5	-32.6	175.5	75.7	-174.2	24.1	0	0	113.1	R53 A59 A97	R53-Q55 VanDerWaalsContact C-N 3.33Å; R53-Q55 PolarHBondContact O-N 3.25Å; Q55-A59 VanDerWaalsContact O-CB 3.26Å; Q55-A59 WeakPolarHBondContact O-CB 3.07Å; Q55-A59 PolarHBondContact O-N 2.8Å; Q55-A59 VanDerWaalsContact O-N 3.07Å; Q55-A97 HydrophobicContact CB-CB 4.42Å
56	H	95.6	Very high	95.4	Very high	12 Å²	12	43 Å²	43	6%	0.056	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-54	177.2	-53.6	144.6	0	0	0	108.8	L24 L52 R53 S54 A58 A59 L60	L24-H56 HydrophobicContact CD1-CB 4.09Å; L52-H56 HydrophobicContact CB-CB 4.34Å; L52-H56 HydrophobicContact CD2-CB 3.72Å; R53-H56 PolarHBondContact N-ND1 3.31Å; R53-H56 VanDerWaalsContact N-ND1 3.15Å; R53-H56 WeakPolarHBondContact O-CA 3.37Å; R53-H56 WeakPolarHBondContact O-CB 3.39Å; R53-H56 PolarHBondContact O-N 3.33Å; S54-H56 VanDerWaalsContact C-N 3.26Å; S54-H56 PolarHBondContact O-N 2.99Å; H56-A58 VanDerWaalsContact C-N 3.31Å; H56-A58 PolarHBondContact O-N 3.11Å; H56-A59 PolarHBondContact O-N 2.91Å; H56-A59 VanDerWaalsContact O-N 3.09Å; H56-L60 VanDerWaalsContact O-CG 3.27Å; H56-L60 WeakPolarHBondContact O-CG 3.46Å; H56-L60 PolarHBondContact O-N 3.49Å
57	A	97.2	Very high	95.9	Very high	7 Å²	7	40 Å²	40	6%	0.058	19%	0.188	C	C	.	.	H	α-helix	trans	-53.7	-48.3	178.6	0	0	0	0	0	111.8	R53 S54 A59 L60 E61	R53-A57 PolarHBondContact O-N 2.89Å; S54-A57 PolarHBondContact O-N 3.31Å; A57-A59 PolarHBondContact O-N 2.96Å; A57-L60 PolarHBondContact O-N 2.83Å; A57-E61 WeakPolarHBondContact O-CB 3.22Å; A57-E61 VanDerWaalsContact O-CG 3.31Å; A57-E61 WeakPolarHBondContact O-CG 3.41Å; A57-E61 PolarHBondContact O-N 3.27Å
58	A	97.9	Very high	96.3	Very high	7 Å²	7	38.6 Å²	38.6	6%	0.058	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-40.8	178.1	0	0	0	0	0	113.1	S54 H56 L62 M106	S54-A58 WeakPolarHBondContact O-CB 3.38Å; S54-A58 PolarHBondContact O-N 3.34Å; H56-A58 VanDerWaalsContact C-N 3.31Å; H56-A58 PolarHBondContact O-N 3.11Å; A58-L62 VanDerWaalsContact O-CB 3.28Å; A58-L62 WeakPolarHBondContact O-CB 3.34Å; A58-L62 PolarHBondContact O-N 2.93Å; A58-M106 HydrophobicContact CB-CE 3.8Å; A58-M106 HydrophobicContact CB-SD 4.36Å
59	A	98.1	Very high	96.8	Very high	3 Å²	3	30.6 Å²	30.6	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-66.8	-43.3	176.3	0	0	0	0	0	112.2	Q55 H56 A57 L62 V63 M106 A109	Q55-A59 VanDerWaalsContact O-CB 3.26Å; Q55-A59 WeakPolarHBondContact O-CB 3.07Å; Q55-A59 PolarHBondContact O-N 2.8Å; Q55-A59 VanDerWaalsContact O-N 3.07Å; H56-A59 PolarHBondContact O-N 2.91Å; H56-A59 VanDerWaalsContact O-N 3.09Å; A57-A59 PolarHBondContact O-N 2.96Å; A59-L62 PolarHBondContact O-N 2.96Å; A59-V63 WeakPolarHBondContact O-CG2 3.44Å; A59-V63 PolarHBondContact O-N 2.75Å; A59-M106 HydrophobicContact CB-CB 4.38Å; A59-M106 HydrophobicContact CB-CG 4.15Å; A59-A109 HydrophobicContact CB-CB 4.12Å
60	L	98.4	Very high	97.1	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-67.6	-44.4	-179.2	-61.3	-166.2	0	0	0	111.7	L24 V28 L52 H56 A57 L62 V63 S64 L71 I81	L24-L60 HydrophobicContact CB-CD2 4.44Å; L24-L60 HydrophobicContact CD2-CD1 4.41Å; V28-L60 HydrophobicContact CB-CD2 4.07Å; V28-L60 HydrophobicContact CG1-CD2 3.52Å; V28-L60 HydrophobicContact CG2-CD2 3.48Å; V28-L60 VanDerWaalsContact CG2-CD2 3.48Å; L52-L60 HydrophobicContact CD1-CD1 4.18Å; L52-L60 HydrophobicContact CD2-CD1 3.88Å; H56-L60 VanDerWaalsContact O-CG 3.27Å; H56-L60 WeakPolarHBondContact O-CG 3.46Å; H56-L60 PolarHBondContact O-N 3.49Å; A57-L60 PolarHBondContact O-N 2.83Å; L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 3.07Å; L60-V63 PolarHBondContact O-N 3.3Å; L60-S64 WeakPolarHBondContact O-CB 3.37Å; L60-S64 PolarHBondContact O-N 2.91Å; L60-L71 HydrophobicContact CB-CD2 3.88Å; L60-I81 HydrophobicContact CD1-CG1 4.12Å; L60-I81 HydrophobicContact CD1-CG2 4.11Å
61	E	98.4	Very high	97.3	Very high	94 Å²	94	32.1 Å²	32.1	44%	0.439	16%	0.156	S	C	.	.	H	α-helix	trans	-61.7	-38.4	174.8	-73.8	171.2	-168.4	0	0	111.9	A57 R65 L71	A57-E61 WeakPolarHBondContact O-CB 3.22Å; A57-E61 VanDerWaalsContact O-CG 3.31Å; A57-E61 WeakPolarHBondContact O-CG 3.41Å; A57-E61 PolarHBondContact O-N 3.27Å; E61-R65 WeakPolarHBondContact O-CG 3.26Å; E61-R65 PolarHBondContact O-N 3.18Å; E61-R65 VanDerWaalsContact O-N 3.08Å; E61-R65 PolarHBondContact O-NE 3.12Å; E61-L71 HydrophobicContact CG-CD2 4.38Å
62	L	98.7	Very high	97.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-51.5	173.8	177.6	60.2	0	0	0	111.3	A58 A59 L60 S64 R65 V66 Y93 A95 V110 L123 L125	A58-L62 VanDerWaalsContact O-CB 3.28Å; A58-L62 WeakPolarHBondContact O-CB 3.34Å; A58-L62 PolarHBondContact O-N 2.93Å; A59-L62 PolarHBondContact O-N 2.96Å; L60-L62 VanDerWaalsContact C-N 3.3Å; L60-L62 PolarHBondContact O-N 3.07Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 3.14Å; L62-R65 PolarHBondContact O-N 2.91Å; L62-R65 VanDerWaalsContact O-N 3.15Å; L62-V66 HydrophobicContact CD1-CG2 4.18Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; L62-V66 PolarHBondContact O-N 3.45Å; L62-Y93 HydrophobicContact CD1-CD1 4.45Å; L62-Y93 HydrophobicContact CD1-CG 4.23Å; L62-A95 HydrophobicContact CB-CB 3.93Å; L62-A95 HydrophobicContact CD1-CB 4.24Å; L62-A95 HydrophobicContact CD2-CB 3.77Å; L62-A95 HydrophobicContact CG-CB 4.19Å; L62-V110 HydrophobicContact CD2-CB 3.81Å; L62-V110 HydrophobicContact CD2-CG1 3.73Å; L62-V110 HydrophobicContact CD2-CG2 3.82Å; L62-V110 HydrophobicContact CG-CB 4.22Å; L62-V110 HydrophobicContact CG-CG2 3.83Å; L62-L123 HydrophobicContact CD1-CD2 4.36Å; L62-L123 HydrophobicContact CD2-CD2 4.48Å; L62-L125 HydrophobicContact CD2-CD2 3.75Å
63	V	98.7	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-42.5	178.7	170	0	0	0	0	111	V28 A32 A59 L60 R65 V66 C67 A109 V110 V113	V28-V63 HydrophobicContact CB-CG1 4.13Å; V28-V63 HydrophobicContact CG2-CB 4.15Å; V28-V63 HydrophobicContact CG2-CG1 3.99Å; V28-V63 HydrophobicContact CG2-CG2 4.08Å; A32-V63 HydrophobicContact CB-CG1 3.78Å; A59-V63 WeakPolarHBondContact O-CG2 3.44Å; A59-V63 PolarHBondContact O-N 2.75Å; L60-V63 PolarHBondContact O-N 3.3Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 2.88Å; V63-V66 PolarHBondContact O-N 3.27Å; V63-C67 PolarHBondContact O-N 2.87Å; V63-C67 PolarHBondContact O-SG 3.05Å; V63-A109 HydrophobicContact CG2-CB 4.2Å; V63-V110 HydrophobicContact CG2-CB 4.27Å; V63-V113 HydrophobicContact CG1-CG2 4.31Å
64	S	98.5	Very high	97.4	Very high	11 Å²	11	34.2 Å²	34.2	8%	0.077	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-39.9	176.9	-170.5	0	0	0	0	112.8	L60 L62 C68 G69 L71	L60-S64 WeakPolarHBondContact O-CB 3.37Å; L60-S64 PolarHBondContact O-N 2.91Å; L62-S64 VanDerWaalsContact C-N 3.29Å; L62-S64 PolarHBondContact O-N 3.14Å; S64-C68 PolarHBondContact O-N 3.45Å; S64-G69 PolarHBondContact O-N 3.08Å; S64-G69 PolarHBondContact OG-O 3.06Å; S64-L71 VanDerWaalsContact OG-CB 3.25Å; S64-L71 WeakPolarHBondContact OG-CB 3.3Å; S64-L71 PolarHBondContact OG-N 3.09Å
65	R	98.6	Very high	97.5	Very high	111 Å²	111	35.7 Å²	35.7	42%	0.419	20%	0.199	S	C	.	.	H	α-helix	trans	-70.2	-40.9	176.7	-75.3	-176.8	-63.5	144.2	0.7	112.1	E61 L62 V63 C67 C68 Y93 E94	E61-R65 WeakPolarHBondContact O-CG 3.26Å; E61-R65 PolarHBondContact O-N 3.18Å; E61-R65 VanDerWaalsContact O-N 3.08Å; E61-R65 PolarHBondContact O-NE 3.12Å; L62-R65 PolarHBondContact O-N 2.91Å; L62-R65 VanDerWaalsContact O-N 3.15Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 2.88Å; R65-C67 VanDerWaalsContact C-N 3.33Å; R65-C67 PolarHBondContact O-N 2.89Å; R65-C68 PolarHBondContact O-N 3.47Å; R65-Y93 HydrophobicContact CB-CD1 4.3Å; R65-Y93 HydrophobicContact CB-CE1 4.18Å; R65-E94 PolarHBondContact NH1-O 3.36Å; R65-E94 PolarHBondContact NH2-O 3.07Å
66	V	98.6	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.5	-42	177.5	165.2	0	0	0	0	111.2	L62 V63 C68 I88 S89 Y93 V110 V113 L114	L62-V66 HydrophobicContact CD1-CG2 4.18Å; L62-V66 WeakPolarHBondContact O-CG2 3.12Å; L62-V66 PolarHBondContact O-N 3.45Å; V63-V66 PolarHBondContact O-N 3.27Å; V66-C68 VanDerWaalsContact C-N 3.31Å; V66-C68 PolarHBondContact O-N 2.86Å; V66-I88 HydrophobicContact CG1-CG2 4.1Å; V66-I88 WeakPolarHBondContact O-CA 3.25Å; V66-S89 PolarHBondContact O-N 2.81Å; V66-Y93 HydrophobicContact CG2-CD1 4.05Å; V66-Y93 HydrophobicContact CG2-CD2 3.88Å; V66-Y93 HydrophobicContact CG2-CE1 4.06Å; V66-Y93 HydrophobicContact CG2-CE2 3.89Å; V66-Y93 HydrophobicContact CG2-CG 3.97Å; V66-V110 HydrophobicContact CG2-CG2 3.88Å; V66-V113 HydrophobicContact CG1-CB 4.4Å; V66-V113 HydrophobicContact CG1-CG1 3.71Å; V66-L114 HydrophobicContact CB-CD2 4.32Å; V66-L114 HydrophobicContact CG1-CD2 3.37Å; V66-L114 HydrophobicContact CG1-CG 3.87Å; V66-L114 HydrophobicContact CG2-CD1 4.45Å; V66-L114 HydrophobicContact CG2-CD2 3.98Å; V66-L114 HydrophobicContact CG2-CG 4.28Å
67	C	98	Very high	97.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	12.1	178.3	74.2	0	0	0	0	114.4	A32 V63 R65 G69 P85 G86 Q87 I88	A32-C67 HydrophobicContact CB-CB 3.79Å; V63-C67 PolarHBondContact O-N 2.87Å; V63-C67 PolarHBondContact O-SG 3.05Å; R65-C67 VanDerWaalsContact C-N 3.33Å; R65-C67 PolarHBondContact O-N 2.89Å; C67-G69 PolarHBondContact O-N 3.29Å; C67-P85 HydrophobicContact CB-CB 4.49Å; C67-G86 CarbonylContact O-C 3.01Å; C67-G86 WeakPolarHBondContact O-CA 3.19Å; C67-G86 PolarHBondContact O-N 2.9Å; C67-Q87 CarbonylContact C-O 3.03Å; C67-Q87 WeakPolarHBondContact CA-O 3.39Å; C67-Q87 PolarHBondContact O-N 2.91Å; C67-Q87 VanDerWaalsContact O-O 3.08Å; C67-I88 HydrophobicContact CB-CG1 4.41Å
68	C	97.9	Very high	97.5	Very high	81 Å²	81	41.7 Å²	41.7	55%	0.547	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.2	35.1	-174.8	-60.8	0	0	0	0	112.9	S64 R65 V66	S64-C68 PolarHBondContact O-N 3.45Å; R65-C68 PolarHBondContact O-N 3.47Å; V66-C68 VanDerWaalsContact C-N 3.31Å; V66-C68 PolarHBondContact O-N 2.86Å
69	G	97.6	Very high	97.5	Very high	17 Å²	17	45 Å²	45	18%	0.175	26%	0.262	C	S	.	.			trans	-91.4	164.5	-172.5	0	0	0	0	0	113.2	S64 C67 I84	S64-G69 PolarHBondContact O-N 3.08Å; S64-G69 PolarHBondContact OG-O 3.06Å; C67-G69 PolarHBondContact O-N 3.29Å; G69-I84 CarbonylContact C-O 3.48Å; G69-I84 WeakPolarHBondContact CA-O 3.25Å
70	R	98.2	Very high	97.4	Very high	130 Å²	130	50 Å²	50	49%	0.491	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	109.5	169.8	-63.5	-176.3	-67.3	170.9	-3.3	109.3	I84	R70-I84 HydrophobicContact CB-CB 4.39Å; R70-I84 PolarHBondContact N-O 3.4Å; R70-I84 PolarHBondContact O-N 2.99Å
71	L	98.2	Very high	97.4	Very high	40 Å²	40	49.9 Å²	49.9	21%	0.209	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.9	173	178.7	65.3	0	0	0	109.9	L60 E61 S64 C74 I81 R82 L83	L60-L71 HydrophobicContact CB-CD2 3.88Å; E61-L71 HydrophobicContact CG-CD2 4.38Å; S64-L71 VanDerWaalsContact OG-CB 3.25Å; S64-L71 WeakPolarHBondContact OG-CB 3.3Å; S64-L71 PolarHBondContact OG-N 3.09Å; L71-C74 HydrophobicContact CD1-CB 4.21Å; L71-C74 HydrophobicContact CD2-CB 3.48Å; L71-C74 VanDerWaalsContact CD2-CB 3.48Å; L71-C74 HydrophobicContact CG-CB 3.64Å; L71-I81 HydrophobicContact CD1-CB 4.28Å; L71-I81 HydrophobicContact CD1-CD1 4.42Å; L71-R82 WeakPolarHBondContact CA-O 3.41Å; L71-L83 HydrophobicContact CB-CD1 4.18Å; L71-L83 HydrophobicContact CD1-CB 4.2Å; L71-L83 HydrophobicContact CD1-CD1 4.43Å
72	S	97.5	Very high	97.4	Very high	56 Å²	56	47.8 Å²	47.8	39%	0.392	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	155.1	175.9	63.1	0	0	0	0	112	C74 I81 R82	S72-C74 PolarHBondContact O-N 3.01Å; S72-I81 WeakPolarHBondContact O-CA 3.49Å; S72-R82 PolarHBondContact N-O 3.47Å; S72-R82 PolarHBondContact O-N 3.35Å
73	S	94.7	Very high	97.4	Very high	62 Å²	62	47.8 Å²	47.8	43%	0.434	27%	0.27	S	S	.	.	S	Bend	trans	59.3	23.6	-178.7	-58.3	0	0	0	0	115	A75 S78 K80	S73-A75 PolarHBondContact O-N 3.1Å; S73-S78 WeakPolarHBondContact O-CB 3.23Å; S73-S78 PolarHBondContact O-OG 3.35Å; S73-K80 VanDerWaalsContact CB-O 3.31Å; S73-K80 WeakPolarHBondContact CB-O 3.3Å
74	C	95.5	Very high	97.4	Very high	23 Å²	23	48.5 Å²	48.5	16%	0.155	27%	0.274	C	S	.	.			trans	-88.1	83.9	176.5	-174.3	0	0	0	0	111.8	L52 L71 S72 I81	L52-C74 HydrophobicContact CD1-CB 4.45Å; L71-C74 HydrophobicContact CD1-CB 4.21Å; L71-C74 HydrophobicContact CD2-CB 3.48Å; L71-C74 VanDerWaalsContact CD2-CB 3.48Å; L71-C74 HydrophobicContact CG-CB 3.64Å; S72-C74 PolarHBondContact O-N 3.01Å; C74-I81 HydrophobicContact CB-CG2 4.31Å
75	A	95.8	Very high	97.3	Very high	53 Å²	53	48.7 Å²	48.7	44%	0.438	28%	0.275	S	S	.	.	S	Bend	trans	-131	158	171.6	0	0	0	0	0	109.7	L52 S73 G77 S78	L52-A75 WeakPolarHBondContact CB-O 3.39Å; L52-A75 WeakPolarHBondContact CD1-O 3.2Å; S73-A75 PolarHBondContact O-N 3.1Å; A75-G77 PolarHBondContact O-N 2.68Å; A75-S78 PolarHBondContact N-OG 2.92Å; A75-S78 VanDerWaalsContact N-OG 3.16Å; A75-S78 WeakPolarHBondContact O-CB 3.43Å; A75-S78 PolarHBondContact O-N 2.97Å; A75-S78 PolarHBondContact O-OG 2.78Å; A75-S78 VanDerWaalsContact O-OG 3.07Å
76	I	95.8	Very high	97.3	Very high	117 Å²	117	44.5 Å²	44.5	60%	0.6	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	133	173.3	-64	175.2	0	0	0	108.9	S78	I76-S78 VanDerWaalsContact C-N 3.29Å; I76-S78 PolarHBondContact O-N 3.01Å
77	G	95.9	Very high	97.2	Very high	42 Å²	42	49.2 Å²	49.2	43%	0.433	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	-9.9	-175.6	0	0	0	0	0	114.8	L52 A75 T79	L52-G77 PolarHBondContact O-N 3.19Å; A75-G77 PolarHBondContact O-N 2.68Å; G77-T79 PolarHBondContact O-N 2.84Å
78	S	97.1	Very high	97.2	Very high	25 Å²	25	49.8 Å²	49.8	18%	0.175	29%	0.291	C	S	.	.			trans	-59.1	127.5	175	-71.8	0	0	0	0	111.7	G51 L52 S73 A75 I76	G51-S78 CarbonylContact C-O 3.56Å; G51-S78 WeakPolarHBondContact CA-O 3.5Å; L52-S78 PolarHBondContact N-O 3.28Å; S73-S78 WeakPolarHBondContact O-CB 3.23Å; S73-S78 PolarHBondContact O-OG 3.35Å; A75-S78 PolarHBondContact N-OG 2.92Å; A75-S78 VanDerWaalsContact N-OG 3.16Å; A75-S78 WeakPolarHBondContact O-CB 3.43Å; A75-S78 PolarHBondContact O-N 2.97Å; A75-S78 PolarHBondContact O-OG 2.78Å; A75-S78 VanDerWaalsContact O-OG 3.07Å; I76-S78 VanDerWaalsContact C-N 3.29Å; I76-S78 PolarHBondContact O-N 3.01Å
79	T	96.6	Very high	97.2	Very high	76 Å²	76	48 Å²	48	47%	0.466	28%	0.28	S	S	.	.	S	Bend	trans	-93.5	-3.2	177.2	53.8	0	0	0	0	113.1	Y41 N42 I43 P50 G77	Y41-T79 CarbonylContact C-O 3.59Å; N42-T79 PolarHBondContact N-O 2.58Å; N42-T79 VanDerWaalsContact N-O 3.07Å; I43-T79 WeakPolarHBondContact CG1-O 3.27Å; I43-T79 PolarHBondContact N-O 2.81Å; P50-T79 HydrophobicContact CB-CG2 4.47Å; G77-T79 PolarHBondContact O-N 2.84Å
80	K	97.3	Very high	97.2	Very high	109 Å²	109	48.9 Å²	48.9	47%	0.474	28%	0.282	S	S	.	.			trans	-143.3	150.1	173.1	66.7	179.1	-176.3	176.4	0	111.8	V40 S73	V40-K80 CarbonylContact O-C 3.52Å; V40-K80 WeakPolarHBondContact O-CA 3.28Å; S73-K80 VanDerWaalsContact CB-O 3.31Å; S73-K80 WeakPolarHBondContact CB-O 3.3Å
81	I	97.9	Very high	97.2	Very high	1 Å²	1	44 Å²	44	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.6	168.9	59.2	92.4	0	0	0	109.4	L24 V28 E39 V40 I43 L52 L60 L71 S72 C74	L24-I81 HydrophobicContact CD2-CG1 4.44Å; V28-I81 HydrophobicContact CG1-CD1 4.27Å; E39-I81 CarbonylContact C-O 3.58Å; E39-I81 WeakPolarHBondContact CA-O 3.38Å; E39-I81 WeakPolarHBondContact CG-O 3.46Å; V40-I81 HydrophobicContact CB-CD1 4.08Å; V40-I81 HydrophobicContact CB-CG1 4.03Å; V40-I81 HydrophobicContact CG2-CD1 3.79Å; V40-I81 HydrophobicContact CG2-CG1 4.27Å; V40-I81 PolarHBondContact N-O 3.38Å; V40-I81 PolarHBondContact O-N 3.02Å; I43-I81 HydrophobicContact CD1-CB 4.43Å; I43-I81 HydrophobicContact CD1-CG1 4Å; I43-I81 HydrophobicContact CD1-CG2 3.99Å; L52-I81 HydrophobicContact CD1-CG2 3.79Å; L60-I81 HydrophobicContact CD1-CG1 4.12Å; L60-I81 HydrophobicContact CD1-CG2 4.11Å; L71-I81 HydrophobicContact CD1-CB 4.28Å; L71-I81 HydrophobicContact CD1-CD1 4.42Å; S72-I81 WeakPolarHBondContact O-CA 3.49Å; C74-I81 HydrophobicContact CB-CG2 4.31Å
82	R	98.1	Very high	97.2	Very high	49 Å²	49	46.6 Å²	46.6	19%	0.185	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.6	168.2	-179.1	179.9	178.7	-158.2	1.8	109.1	L4 V9 I38 E39 L71 S72	L4-R82 PolarHBondContact O-NH2 3.09Å; L4-R82 VanDerWaalsContact O-NH2 3.09Å; V9-R82 VanDerWaalsContact CG2-NH2 3.33Å; I38-R82 WeakPolarHBondContact O-CA 3.34Å; E39-R82 HydrophobicContact CB-CB 4.36Å; E39-R82 HydrophobicContact CB-CG 4.39Å; E39-R82 HydrophobicContact CG-CB 4.42Å; L71-R82 WeakPolarHBondContact CA-O 3.41Å; S72-R82 PolarHBondContact N-O 3.47Å; S72-R82 PolarHBondContact O-N 3.35Å
83	L	98.5	Very high	97.3	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	120.7	176.7	176.4	62.9	0	0	0	109	V28 A31 P37 I38 L71 P85	V28-L83 HydrophobicContact CB-CD2 3.87Å; V28-L83 HydrophobicContact CG1-CD2 4.06Å; A31-L83 HydrophobicContact CB-CD2 4.31Å; P37-L83 WeakPolarHBondContact CA-O 3.38Å; I38-L83 HydrophobicContact CG1-CB 4.15Å; I38-L83 PolarHBondContact N-O 3.48Å; I38-L83 PolarHBondContact O-N 3.41Å; L71-L83 HydrophobicContact CB-CD1 4.18Å; L71-L83 HydrophobicContact CD1-CB 4.2Å; L71-L83 HydrophobicContact CD1-CD1 4.43Å; L83-P85 WeakPolarHBondContact O-CD 3.47Å
84	I	98.3	Very high	97.5	Very high	15 Å²	15	46.6 Å²	46.6	8%	0.077	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	97	167.6	-56.2	175.5	0	0	0	106.4	L4 P37 G69 R70	L4-I84 HydrophobicContact CD2-CD1 3.79Å; P37-I84 HydrophobicContact CB-CG1 4.34Å; P37-I84 HydrophobicContact CG-CG2 4.17Å; G69-I84 CarbonylContact C-O 3.48Å; G69-I84 WeakPolarHBondContact CA-O 3.25Å; R70-I84 HydrophobicContact CB-CB 4.39Å; R70-I84 PolarHBondContact N-O 3.4Å; R70-I84 PolarHBondContact O-N 2.99Å
85	P	98.2	Very high	97.6	Very high	14 Å²	14	45.9 Å²	45.9	9%	0.091	28%	0.275	C	S	.	.			trans	-70.4	151.6	-177.3	31.5	-36.9	0	0	0	111.6	A31 K35 C67 L83	A31-P85 VanDerWaalsContact O-CG 3.29Å; A31-P85 WeakPolarHBondContact O-CG 3.44Å; K35-P85 VanDerWaalsContact C-CG 3.45Å; C67-P85 HydrophobicContact CB-CB 4.49Å; L83-P85 WeakPolarHBondContact O-CD 3.47Å
86	G	97.2	Very high	97.7	Very high	23 Å²	23	45.4 Å²	45.4	24%	0.237	27%	0.265	C	S	.	.			trans	-115.8	-143.9	172.1	0	0	0	0	0	111.6	C67	C67-G86 CarbonylContact O-C 3.01Å; C67-G86 WeakPolarHBondContact O-CA 3.19Å; C67-G86 PolarHBondContact O-N 2.9Å
87	Q	96.9	Very high	97.7	Very high	99 Å²	99	39.9 Å²	39.9	46%	0.463	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-76	134.3	174.7	-172.5	63.2	37.1	0	0	110.9	C67 S89 E363	C67-Q87 CarbonylContact C-O 3.03Å; C67-Q87 WeakPolarHBondContact CA-O 3.39Å; C67-Q87 PolarHBondContact O-N 2.91Å; C67-Q87 VanDerWaalsContact O-O 3.08Å; Q87-S89 PolarHBondContact O-N 3.41Å; Q87-E363 PolarHBondContact NE2-OE2 3.09Å; Q87-E363 PolarHBondContact OE1-OE2 3.3Å; Q87-E363 VanDerWaalsContact OE1-OE2 3.05Å
88	I	98.3	Very high	97.7	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.062	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-66.6	117.4	167.6	-60.9	170	0	0	0	108.6	V66 C67 V113 F116 A117	V66-I88 HydrophobicContact CG1-CG2 4.1Å; V66-I88 WeakPolarHBondContact O-CA 3.25Å; C67-I88 HydrophobicContact CB-CG1 4.41Å; I88-V113 HydrophobicContact CD1-CG1 3.76Å; I88-V113 HydrophobicContact CG1-CG1 3.88Å; I88-V113 HydrophobicContact CG2-CG1 4.32Å; I88-F116 HydrophobicContact CD1-CB 3.94Å; I88-A117 HydrophobicContact CG2-CB 3.65Å
89	S	97.9	Very high	97.5	Very high	44 Å²	44	47.1 Å²	47.1	31%	0.308	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-100	126	174.7	-176.9	0	0	0	0	109.3	V66 Q87 Y93	V66-S89 PolarHBondContact O-N 2.81Å; Q87-S89 PolarHBondContact O-N 3.41Å; S89-Y93 WeakPolarHBondContact CB-OH 3.47Å; S89-Y93 PolarHBondContact O-OH 3.2Å
90	P	97.7	Very high	97.4	Very high	36 Å²	36	44.2 Å²	44.2	23%	0.234	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-70.5	163.6	165.7	32.2	-34.5	0	0	0	110.5	A117 S119 S121	P90-A117 HydrophobicContact CB-CB 4.02Å; P90-S119 WeakPolarHBondContact CB-O 3.48Å; P90-S121 WeakPolarHBondContact CA-OG 3.42Å; P90-S121 WeakPolarHBondContact CB-OG 3.35Å
91	G	98.2	Very high	97.4	Very high	27 Å²	27	39.2 Å²	39.2	28%	0.278	22%	0.221	S	C	.	.	S	Bend	trans	150.1	-162.1	173.2	0	0	0	0	0	113.5	S121 E122	G91-S121 PolarHBondContact N-OG 2.92Å; G91-S121 VanDerWaalsContact N-OG 3.12Å; G91-S121 CarbonylContact O-C 3.51Å; G91-S121 VanDerWaalsContact O-CA 3.26Å; G91-S121 WeakPolarHBondContact O-CA 3.27Å; G91-S121 VanDerWaalsContact O-CB 3.3Å; G91-S121 WeakPolarHBondContact O-CB 3.37Å; G91-E122 PolarHBondContact O-N 2.91Å
92	S	98.7	Very high	97.3	Very high	95 Å²	95	39.1 Å²	39.1	66%	0.664	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.7	176.8	-55	0	0	0	0	110.2	E122	S92-E122 CarbonylContact C-O 3.45Å; S92-E122 WeakPolarHBondContact CA-O 3.36Å
93	Y	98.7	Very high	97.4	Very high	34 Å²	34	36.8 Å²	36.8	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	147.3	178.5	-59.4	-92.5	0	0	0	111.5	L62 R65 V66 S89 L114 E122 L123 L124	L62-Y93 HydrophobicContact CD1-CD1 4.45Å; L62-Y93 HydrophobicContact CD1-CG 4.23Å; R65-Y93 HydrophobicContact CB-CD1 4.3Å; R65-Y93 HydrophobicContact CB-CE1 4.18Å; V66-Y93 HydrophobicContact CG2-CD1 4.05Å; V66-Y93 HydrophobicContact CG2-CD2 3.88Å; V66-Y93 HydrophobicContact CG2-CE1 4.06Å; V66-Y93 HydrophobicContact CG2-CE2 3.89Å; V66-Y93 HydrophobicContact CG2-CG 3.97Å; S89-Y93 WeakPolarHBondContact CB-OH 3.47Å; S89-Y93 PolarHBondContact O-OH 3.2Å; Y93-L114 HydrophobicContact CE2-CD2 4.4Å; Y93-E122 PolarHBondContact N-O 2.89Å; Y93-L123 HydrophobicContact CD2-CD2 4.41Å; Y93-L123 CarbonylContact O-C 3.57Å; Y93-L123 VanDerWaalsContact O-CA 3.3Å; Y93-L123 WeakPolarHBondContact O-CA 3.27Å; Y93-L124 PolarHBondContact O-N 2.86Å
94	E	98.4	Very high	97.4	Very high	84 Å²	84	36.8 Å²	36.8	39%	0.393	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	139.1	172.6	178.1	169.7	-173.1	0	0	110.1	R65 L124 R126	R65-E94 PolarHBondContact NH1-O 3.36Å; R65-E94 PolarHBondContact NH2-O 3.07Å; E94-L124 CarbonylContact C-O 3.57Å; E94-L124 VanDerWaalsContact CA-O 3.26Å; E94-L124 WeakPolarHBondContact CA-O 3.24Å; E94-L124 HydrophobicContact CB-CB 4.24Å; E94-L124 HydrophobicContact CG-CB 4.18Å; E94-L124 HydrophobicContact CG-CD2 4.29Å; E94-L124 HydrophobicContact CG-CG 4.45Å; E94-R126 IonicContact OE1-CZ 2.71Å; E94-R126 VanDerWaalsContact OE1-CZ 3.24Å; E94-R126 IonicContact OE1-NE 2.92Å; E94-R126 PolarHBondContact OE1-NE 3.22Å; E94-R126 IonicContact OE1-NH2 3.24Å; E94-R126 PolarHBondContact OE1-NH2 3.34Å
95	A	98.2	Very high	97.3	Very high	7 Å²	7	36.8 Å²	36.8	6%	0.058	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	143.2	171.1	0	0	0	0	0	110.8	L62 M106 L124 L125 R126	L62-A95 HydrophobicContact CB-CB 3.93Å; L62-A95 HydrophobicContact CD1-CB 4.24Å; L62-A95 HydrophobicContact CD2-CB 3.77Å; L62-A95 HydrophobicContact CG-CB 4.19Å; A95-M106 HydrophobicContact CB-CE 3.46Å; A95-M106 VanDerWaalsContact CB-CE 3.46Å; A95-L124 PolarHBondContact N-O 2.9Å; A95-L125 HydrophobicContact CB-CD2 4.04Å; A95-L125 CarbonylContact O-C 3.59Å; A95-L125 WeakPolarHBondContact O-CA 3.34Å; A95-R126 PolarHBondContact O-N 3.07Å
96	D	97.9	Very high	97.3	Very high	43 Å²	43	36.1 Å²	36.1	23%	0.23	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	118.5	-174.2	-174.8	-7.3	0	0	0	109.9	K98 R126	D96-K98 HydrophobicContact CB-CD 4.14Å; D96-K98 PolarHBondContact O-N 3.28Å; D96-K98 WeakPolarHBondContact OD1-CA 3.4Å; D96-K98 PolarHBondContact OD1-N 3.09Å; D96-K98 WeakPolarHBondContact OD2-CD 3.26Å; D96-K98 VanDerWaalsContact OD2-CE 3.31Å; D96-K98 WeakPolarHBondContact OD2-CE 3.05Å; D96-K98 IonicContact OD2-NZ 2.61Å; D96-K98 PolarHBondContact OD2-NZ 3.06Å; D96-R126 WeakPolarHBondContact CA-O 3.13Å; D96-R126 HydrophobicContact CB-CB 3.9Å; D96-R126 HydrophobicContact CB-CG 4.46Å; D96-R126 WeakPolarHBondContact OD1-CB 3.45Å
97	A	96.4	Very high	97.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	20%	0.197	C	C	.	.			trans	-66.3	-11.7	175.6	0	0	0	0	0	113.1	S54 Q55 T99 M106 R126	S54-A97 WeakPolarHBondContact CB-O 3.44Å; S54-A97 PolarHBondContact OG-O 3.32Å; S54-A97 VanDerWaalsContact OG-O 3.07Å; Q55-A97 HydrophobicContact CB-CB 4.42Å; A97-T99 PolarHBondContact O-N 3.33Å; A97-T99 PolarHBondContact O-OG1 2.92Å; A97-M106 HydrophobicContact CB-SD 3.9Å; A97-R126 PolarHBondContact N-O 2.86Å
98	K	94.9	Very high	97.5	Very high	161 Å²	161	31 Å²	31	70%	0.7	18%	0.178	S	C	*	.	S	Bend	trans	57	5.1	-177.2	-55.5	-64.3	173.2	-166.9	0	115.1	D96	D96-K98 HydrophobicContact CB-CD 4.14Å; D96-K98 PolarHBondContact O-N 3.28Å; D96-K98 WeakPolarHBondContact OD1-CA 3.4Å; D96-K98 PolarHBondContact OD1-N 3.09Å; D96-K98 WeakPolarHBondContact OD2-CD 3.26Å; D96-K98 VanDerWaalsContact OD2-CE 3.31Å; D96-K98 WeakPolarHBondContact OD2-CE 3.05Å; D96-K98 IonicContact OD2-NZ 2.61Å; D96-K98 PolarHBondContact OD2-NZ 3.06Å
99	T	94.2	Very high	97.5	Very high	59 Å²	59	30.4 Å²	30.4	36%	0.362	18%	0.175	S	C	.	.	S	Bend	trans	-147.1	-173.9	-177.8	70	0	0	0	0	108.3	S54 A97 G101 G127	S54-T99 PolarHBondContact OG-OG1 3.46Å; A97-T99 PolarHBondContact O-N 3.33Å; A97-T99 PolarHBondContact O-OG1 2.92Å; T99-G101 PolarHBondContact O-N 3.15Å; T99-G101 PolarHBondContact OG1-N 2.93Å; T99-G101 VanDerWaalsContact OG1-N 3.13Å; T99-G127 WeakPolarHBondContact O-CA 3.4Å
100	A	94.1	Very high	97.5	Very high	14 Å²	14	28.3 Å²	28.3	12%	0.116	16%	0.16	C	C	.	.	S	Bend	trans	-72.2	27.4	167.2	0	0	0	0	0	114.5	T131 Y165	A100-T131 WeakPolarHBondContact O-CG2 3.42Å; A100-Y165 HydrophobicContact CB-CD2 4.16Å
101	G	95.7	Very high	97.5	Very high	4 Å²	4	26.7 Å²	26.7	4%	0.041	15%	0.15	C	C	.	.			trans	-62.5	137.7	172.2	0	0	0	0	0	111.9	T99 V103 G127 G128	T99-G101 PolarHBondContact O-N 3.15Å; T99-G101 PolarHBondContact OG1-N 2.93Å; T99-G101 VanDerWaalsContact OG1-N 3.13Å; G101-V103 PolarHBondContact O-N 3.02Å; G101-G127 CarbonylContact O-C 3.56Å; G101-G127 WeakPolarHBondContact O-CA 3.32Å; G101-G128 PolarHBondContact O-N 3.03Å
102	S	97.7	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-66.7	118	-169.6	179.6	0	0	0	0	112.6	S104 L105 M106 T131 A134	S102-S104 PolarHBondContact O-N 2.77Å; S102-S104 WeakPolarHBondContact OG-CB 3.2Å; S102-S104 PolarHBondContact OG-N 3.15Å; S102-L105 PolarHBondContact O-N 2.82Å; S102-L105 PolarHBondContact OG-N 2.79Å; S102-M106 WeakPolarHBondContact O-CG 3.27Å; S102-M106 PolarHBondContact O-N 3.03Å; S102-M106 VanDerWaalsContact O-N 3.15Å; S102-T131 WeakPolarHBondContact CB-OG1 3.28Å; S102-A134 WeakPolarHBondContact OG-CB 3.17Å
103	V	98.4	Very high	97.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.3	-27.1	172	-60.1	0	0	0	0	111.9	G101 M106 L107 L125 R126 G128 T129 I137 V172	G101-V103 PolarHBondContact O-N 3.02Å; V103-M106 PolarHBondContact O-N 3.26Å; V103-L107 VanDerWaalsContact O-CB 3.32Å; V103-L107 WeakPolarHBondContact O-CB 3.39Å; V103-L107 PolarHBondContact O-N 3.01Å; V103-L125 HydrophobicContact CB-CB 4.19Å; V103-L125 HydrophobicContact CG1-CB 4.27Å; V103-R126 VanDerWaalsContact CG1-C 3.45Å; V103-G128 WeakPolarHBondContact CG2-O 3.38Å; V103-G128 PolarHBondContact N-O 3.46Å; V103-T129 HydrophobicContact CG2-CG2 4.26Å; V103-I137 HydrophobicContact CG2-CB 4.33Å; V103-I137 HydrophobicContact CG2-CD1 4.06Å; V103-I137 HydrophobicContact CG2-CG1 4.31Å; V103-V172 HydrophobicContact CG2-CG2 3.76Å
104	S	98.4	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-43.4	172.9	-49.8	0	0	0	0	111.3	S102 L107 Q108 P135 I137	S102-S104 PolarHBondContact O-N 2.77Å; S102-S104 WeakPolarHBondContact OG-CB 3.2Å; S102-S104 PolarHBondContact OG-N 3.15Å; S104-L107 WeakPolarHBondContact O-CB 3.47Å; S104-L107 PolarHBondContact O-N 3.09Å; S104-Q108 WeakPolarHBondContact O-CG 3.31Å; S104-Q108 PolarHBondContact O-N 3.33Å; S104-P135 WeakPolarHBondContact CB-O 3.34Å; S104-P135 PolarHBondContact OG-O 3.14Å; S104-I137 WeakPolarHBondContact OG-CA 3.18Å; S104-I137 PolarHBondContact OG-N 2.8Å
105	L	97.7	Very high	97.5	Very high	16 Å²	16	15.5 Å²	15.5	8%	0.084	8%	0.081	C	C	.	.	H	α-helix	trans	-71.1	-34.9	177.8	-62.4	-178	0	0	0	112.3	R25 S102 L107 Q108 A109 A134	R25-L105 WeakPolarHBondContact CD-O 3.38Å; S102-L105 PolarHBondContact O-N 2.82Å; S102-L105 PolarHBondContact OG-N 2.79Å; L105-L107 VanDerWaalsContact C-N 3.31Å; L105-Q108 PolarHBondContact O-N 2.88Å; L105-A109 PolarHBondContact O-N 3.24Å; L105-A134 HydrophobicContact CD1-CB 3.82Å; L105-A134 HydrophobicContact CD2-CB 4.18Å; L105-A134 HydrophobicContact CG-CB 3.83Å
106	M	98.4	Very high	97.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-62.2	-43.3	170.4	-65.8	169.7	63.6	0	0	110.7	A58 A59 A95 A97 S102 V103 A109 V110 L125	A58-M106 HydrophobicContact CB-CE 3.8Å; A58-M106 HydrophobicContact CB-SD 4.36Å; A59-M106 HydrophobicContact CB-CB 4.38Å; A59-M106 HydrophobicContact CB-CG 4.15Å; A95-M106 HydrophobicContact CB-CE 3.46Å; A95-M106 VanDerWaalsContact CB-CE 3.46Å; A97-M106 HydrophobicContact CB-SD 3.9Å; S102-M106 WeakPolarHBondContact O-CG 3.27Å; S102-M106 PolarHBondContact O-N 3.03Å; S102-M106 VanDerWaalsContact O-N 3.15Å; V103-M106 PolarHBondContact O-N 3.26Å; M106-A109 PolarHBondContact O-N 2.63Å; M106-V110 PolarHBondContact O-N 3.49Å; M106-L125 HydrophobicContact CB-CD1 4.48Å; M106-L125 HydrophobicContact CE-CD2 4.27Å
107	L	98.6	Very high	97.5	Very high	2 Å²	2	13.7 Å²	13.7	1%	0.01	7%	0.07	C	C	.	.	H	α-helix	trans	-62.6	-43.3	177.8	-177.7	57.4	0	0	0	112	V103 S104 L105 A109 V110 A111 L123 L125 I137 M140 V157 V174	V103-L107 VanDerWaalsContact O-CB 3.32Å; V103-L107 WeakPolarHBondContact O-CB 3.39Å; V103-L107 PolarHBondContact O-N 3.01Å; S104-L107 WeakPolarHBondContact O-CB 3.47Å; S104-L107 PolarHBondContact O-N 3.09Å; L105-L107 VanDerWaalsContact C-N 3.31Å; L107-A109 PolarHBondContact O-N 3.41Å; L107-V110 HydrophobicContact CD1-CG1 4.41Å; L107-V110 PolarHBondContact O-N 2.97Å; L107-A111 HydrophobicContact CD1-CB 3.78Å; L107-A111 HydrophobicContact CG-CB 4.27Å; L107-A111 VanDerWaalsContact O-CB 3.24Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 3.24Å; L107-L123 HydrophobicContact CD1-CD1 4.2Å; L107-L125 HydrophobicContact CB-CD1 3.87Å; L107-L125 HydrophobicContact CD1-CD1 4.24Å; L107-I137 HydrophobicContact CD2-CD1 4.39Å; L107-M140 HydrophobicContact CD2-CB 4.28Å; L107-M140 HydrophobicContact CD2-CE 4.13Å; L107-M140 HydrophobicContact CD2-CG 4.48Å; L107-M140 HydrophobicContact CG-CE 4.31Å; L107-V157 HydrophobicContact CD2-CG2 3.68Å; L107-V174 HydrophobicContact CD1-CB 4.44Å; L107-V174 HydrophobicContact CD1-CG1 4.05Å; L107-V174 HydrophobicContact CD1-CG2 4.05Å; L107-V174 HydrophobicContact CD2-CG2 4.33Å
108	Q	98.1	Very high	97.5	Very high	12 Å²	12	16.6 Å²	16.6	6%	0.056	9%	0.091	C	C	.	.	H	α-helix	trans	-56.9	-32.6	175.7	-75.7	176.6	7.4	0	0	113.2	S104 L105 P112 M140 Q303	S104-Q108 WeakPolarHBondContact O-CG 3.31Å; S104-Q108 PolarHBondContact O-N 3.33Å; L105-Q108 PolarHBondContact O-N 2.88Å; Q108-P112 VanDerWaalsContact O-CD 3.28Å; Q108-P112 WeakPolarHBondContact O-CD 3.29Å; Q108-M140 HydrophobicContact CG-CE 3.79Å; Q108-M140 HydrophobicContact CG-SD 4.38Å; Q108-Q303 HydrophobicContact CG-CG 4.33Å
109	A	98.2	Very high	97.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-75.5	-39.6	177.9	0	0	0	0	0	112.7	R25 S29 A59 V63 L105 M106 L107	R25-A109 HydrophobicContact CB-CB 4.08Å; R25-A109 HydrophobicContact CG-CB 4.02Å; S29-A109 WeakPolarHBondContact OG-CA 3.31Å; S29-A109 PolarHBondContact OG-O 3.28Å; A59-A109 HydrophobicContact CB-CB 4.12Å; V63-A109 HydrophobicContact CG2-CB 4.2Å; L105-A109 PolarHBondContact O-N 3.24Å; M106-A109 PolarHBondContact O-N 2.63Å; L107-A109 PolarHBondContact O-N 3.41Å
110	V	98.6	Very high	97.9	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-96.9	-33.2	-170.2	69.6	0	0	0	0	113.8	L62 V63 V66 M106 L107 V113 L114 L123	L62-V110 HydrophobicContact CD2-CB 3.81Å; L62-V110 HydrophobicContact CD2-CG1 3.73Å; L62-V110 HydrophobicContact CD2-CG2 3.82Å; L62-V110 HydrophobicContact CG-CB 4.22Å; L62-V110 HydrophobicContact CG-CG2 3.83Å; V63-V110 HydrophobicContact CG2-CB 4.27Å; V66-V110 HydrophobicContact CG2-CG2 3.88Å; M106-V110 PolarHBondContact O-N 3.49Å; L107-V110 HydrophobicContact CD1-CG1 4.41Å; L107-V110 PolarHBondContact O-N 2.97Å; V110-V113 WeakPolarHBondContact O-CB 3.31Å; V110-V113 PolarHBondContact O-N 3.04Å; V110-L114 HydrophobicContact CG2-CD1 3.89Å; V110-L114 HydrophobicContact CG2-CG 4.1Å; V110-L114 PolarHBondContact O-N 3.41Å; V110-L123 HydrophobicContact CG1-CD1 3.48Å; V110-L123 VanDerWaalsContact CG1-CD1 3.48Å; V110-L123 HydrophobicContact CG2-CD1 4.44Å
111	A	98.4	Very high	98.1	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-56.9	-44.8	-175.1	0	0	0	0	0	113	L107 V113 L114 A115 L176	L107-A111 HydrophobicContact CD1-CB 3.78Å; L107-A111 HydrophobicContact CG-CB 4.27Å; L107-A111 VanDerWaalsContact O-CB 3.24Å; L107-A111 WeakPolarHBondContact O-CB 3.46Å; L107-A111 PolarHBondContact O-N 3.24Å; A111-V113 VanDerWaalsContact C-N 3.28Å; A111-V113 PolarHBondContact O-N 3.32Å; A111-L114 PolarHBondContact O-N 3.39Å; A111-A115 PolarHBondContact O-N 3.1Å; A111-L176 HydrophobicContact CB-CD1 3.94Å; A111-L176 HydrophobicContact CB-CG 4.42Å
112	P	98	Very high	98.2	Very high	5 Å²	5	17.1 Å²	17.1	3%	0.032	10%	0.101	C	C	.	.	H	α-helix	trans	-61.7	-36.3	176.1	-26.2	39.2	0	0	0	112.2	I33 Q108 F116 M306	I33-P112 HydrophobicContact CD1-CB 4.09Å; Q108-P112 VanDerWaalsContact O-CD 3.28Å; Q108-P112 WeakPolarHBondContact O-CD 3.29Å; P112-F116 VanDerWaalsContact O-CD2 3.23Å; P112-F116 WeakPolarHBondContact O-CD2 3.4Å; P112-M306 HydrophobicContact CB-CE 3.74Å; P112-M306 HydrophobicContact CB-SD 4.37Å; P112-M306 HydrophobicContact CG-CE 3.43Å; P112-M306 VanDerWaalsContact CG-CE 3.43Å
113	V	98.7	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-48	178.5	-173.4	0	0	0	0	110.6	A32 I33 V63 V66 I88 V110 A111 A115 F116	A32-V113 HydrophobicContact CB-CB 4.49Å; A32-V113 HydrophobicContact CB-CG1 3.71Å; A32-V113 HydrophobicContact CB-CG2 3.88Å; I33-V113 HydrophobicContact CG1-CG2 4.31Å; V63-V113 HydrophobicContact CG1-CG2 4.31Å; V66-V113 HydrophobicContact CG1-CB 4.4Å; V66-V113 HydrophobicContact CG1-CG1 3.71Å; I88-V113 HydrophobicContact CD1-CG1 3.76Å; I88-V113 HydrophobicContact CG1-CG1 3.88Å; I88-V113 HydrophobicContact CG2-CG1 4.32Å; V110-V113 WeakPolarHBondContact O-CB 3.31Å; V110-V113 PolarHBondContact O-N 3.04Å; A111-V113 VanDerWaalsContact C-N 3.28Å; A111-V113 PolarHBondContact O-N 3.32Å; V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 2.9Å; V113-F116 PolarHBondContact O-N 2.86Å
114	L	98.5	Very high	98.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-70	-25.5	-178.7	-75	176.1	0	0	0	113.9	V66 Y93 V110 A111 F116 A117 L123 L176	V66-L114 HydrophobicContact CB-CD2 4.32Å; V66-L114 HydrophobicContact CG1-CD2 3.37Å; V66-L114 HydrophobicContact CG1-CG 3.87Å; V66-L114 HydrophobicContact CG2-CD1 4.45Å; V66-L114 HydrophobicContact CG2-CD2 3.98Å; V66-L114 HydrophobicContact CG2-CG 4.28Å; Y93-L114 HydrophobicContact CE2-CD2 4.4Å; V110-L114 HydrophobicContact CG2-CD1 3.89Å; V110-L114 HydrophobicContact CG2-CG 4.1Å; V110-L114 PolarHBondContact O-N 3.41Å; A111-L114 PolarHBondContact O-N 3.39Å; L114-F116 PolarHBondContact O-N 2.87Å; L114-A117 WeakPolarHBondContact O-CB 3.28Å; L114-A117 PolarHBondContact O-N 2.85Å; L114-L123 HydrophobicContact CD1-CD1 3.8Å; L114-L123 HydrophobicContact CD1-CD2 3.54Å; L114-L123 HydrophobicContact CD1-CG 3.74Å; L114-L176 HydrophobicContact CB-CB 3.95Å; L114-L176 HydrophobicContact CB-CG 4.01Å
115	A	98.2	Very high	98.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.7	-29.3	170.1	0	0	0	0	0	112.2	A111 V113 A117 L153 L179	A111-A115 PolarHBondContact O-N 3.1Å; V113-A115 VanDerWaalsContact C-N 3.31Å; V113-A115 PolarHBondContact O-N 2.9Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A115-L153 HydrophobicContact CB-CD1 3.87Å; A115-L153 HydrophobicContact CB-CD2 4.27Å; A115-L153 HydrophobicContact CB-CG 3.64Å; A115-L179 HydrophobicContact CB-CD1 4.49Å; A115-L179 HydrophobicContact CB-CG 4.17Å; A115-L179 WeakPolarHBondContact O-CB 3.5Å; A115-L179 VanDerWaalsContact O-CG 3.29Å; A115-L179 WeakPolarHBondContact O-CG 3.47Å; A115-L179 PolarHBondContact O-N 2.92Å
116	F	98.2	Very high	98.3	Very high	12 Å²	12	21.7 Å²	21.7	5%	0.053	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	3.3	175.9	-78.1	-103.5	0	0	0	113.6	I33 I88 P112 V113 L114 L179 L183 L310 Y360 P362	I33-F116 HydrophobicContact CD1-CD2 4.13Å; I33-F116 HydrophobicContact CD1-CE2 4.29Å; I33-F116 HydrophobicContact CG1-CD2 4.24Å; I33-F116 HydrophobicContact CG1-CG 4.37Å; I33-F116 HydrophobicContact CG2-CD1 3.9Å; I33-F116 HydrophobicContact CG2-CD2 4.27Å; I33-F116 HydrophobicContact CG2-CE1 4.07Å; I33-F116 HydrophobicContact CG2-CE2 4.38Å; I33-F116 HydrophobicContact CG2-CG 4.02Å; I33-F116 HydrophobicContact CG2-CZ 4.28Å; I88-F116 HydrophobicContact CD1-CB 3.94Å; P112-F116 VanDerWaalsContact O-CD2 3.23Å; P112-F116 WeakPolarHBondContact O-CD2 3.4Å; V113-F116 PolarHBondContact O-N 2.86Å; L114-F116 PolarHBondContact O-N 2.87Å; F116-L179 HydrophobicContact CD1-CD1 4.37Å; F116-L179 HydrophobicContact CD2-CD1 3.78Å; F116-L179 HydrophobicContact CE1-CD1 4.12Å; F116-L179 HydrophobicContact CE2-CD1 3.58Å; F116-L179 HydrophobicContact CG-CD1 4.21Å; F116-L179 HydrophobicContact CZ-CD1 3.76Å; F116-L183 HydrophobicContact CE2-CD1 3.96Å; F116-L183 HydrophobicContact CE2-CG 4.45Å; F116-L183 HydrophobicContact CZ-CD1 4.07Å; F116-L183 HydrophobicContact CZ-CG 4.41Å; F116-L310 HydrophobicContact CE2-CD1 4.17Å; F116-L310 HydrophobicContact CZ-CB 4.38Å; F116-L310 HydrophobicContact CZ-CD1 4.31Å; F116-Y360 AromaticContact CD1-CD1 3.93Å; F116-Y360 HydrophobicContact CD1-CD1 3.93Å; F116-Y360 HydrophobicContact CD1-CE1 4.43Å; F116-Y360 AromaticContact CE1-CD1 3.61Å; F116-Y360 HydrophobicContact CE1-CD1 3.61Å; F116-Y360 HydrophobicContact CE1-CG 4.43Å; F116-Y360 WeakPolarHBondContact CE1-O 3.44Å; F116-P362 HydrophobicContact CD1-CB 4.08Å; F116-P362 HydrophobicContact CD1-CG 3.62Å; F116-P362 HydrophobicContact CE1-CG 3.88Å; F116-P362 HydrophobicContact CG-CG 4.3Å
117	A	97.8	Very high	98.3	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	12%	0.12	C	C	.	.	S	Bend	trans	-71.9	161.9	172.2	0	0	0	0	0	111.2	I88 P90 L114 A115 S119 P178 H364	I88-A117 HydrophobicContact CG2-CB 3.65Å; P90-A117 HydrophobicContact CB-CB 4.02Å; L114-A117 WeakPolarHBondContact O-CB 3.28Å; L114-A117 PolarHBondContact O-N 2.85Å; A115-A117 VanDerWaalsContact C-N 3.33Å; A117-S119 VanDerWaalsContact C-N 3.33Å; A117-S119 PolarHBondContact O-N 2.96Å; A117-P178 WeakPolarHBondContact O-CB 3.37Å; A117-H364 PolarHBondContact O-CE1 3.36Å; A117-H364 PolarHBondContact O-ND1 2.9Å
118	S	96.9	Very high	98.3	Very high	62 Å²	62	21.6 Å²	21.6	43%	0.434	12%	0.119	S	C	.	.	S	Bend	trans	-79.6	-11.1	-177.9	59.4	0	0	0	0	114.6
119	S	97.8	Very high	98.3	Very high	54 Å²	54	21 Å²	21	38%	0.378	12%	0.117	S	C	.	.	S	Bend	trans	-153.5	163.8	-175	-61.7	0	0	0	0	110.6	P90 A117	P90-S119 WeakPolarHBondContact CB-O 3.48Å; A117-S119 VanDerWaalsContact C-N 3.33Å; A117-S119 PolarHBondContact O-N 2.96Å
120	P	98.5	Very high	98.2	Very high	75 Å²	75	21.2 Å²	21.2	49%	0.487	12%	0.118	S	C	.	.			trans	-57.1	147.8	178.6	-25.3	34.7	0	0	0	112.4	L175 L176	P120-L175 HydrophobicContact CB-CD1 4.23Å; P120-L176 CarbonylContact C-O 3.59Å; P120-L176 VanDerWaalsContact CA-O 3.25Å; P120-L176 WeakPolarHBondContact CA-O 3.3Å
121	S	98.8	Very high	97.9	Very high	1 Å²	1	22 Å²	22	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.2	179	-63.1	0	0	0	0	111.3	P90 G91 L176	P90-S121 WeakPolarHBondContact CA-OG 3.42Å; P90-S121 WeakPolarHBondContact CB-OG 3.35Å; G91-S121 PolarHBondContact N-OG 2.92Å; G91-S121 VanDerWaalsContact N-OG 3.12Å; G91-S121 CarbonylContact O-C 3.51Å; G91-S121 VanDerWaalsContact O-CA 3.26Å; G91-S121 WeakPolarHBondContact O-CA 3.27Å; G91-S121 VanDerWaalsContact O-CB 3.3Å; G91-S121 WeakPolarHBondContact O-CB 3.37Å; S121-L176 PolarHBondContact N-O 3.44Å; S121-L176 PolarHBondContact O-N 3.47Å
122	E	98.8	Very high	97.4	Very high	119 Å²	119	25.7 Å²	25.7	56%	0.556	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.8	178.5	-65	-174.6	172.2	0	0	110	G91 S92 Y93 V174 L175	G91-E122 PolarHBondContact O-N 2.91Å; S92-E122 CarbonylContact C-O 3.45Å; S92-E122 WeakPolarHBondContact CA-O 3.36Å; Y93-E122 PolarHBondContact N-O 2.89Å; E122-V174 CarbonylContact C-O 3.57Å; E122-V174 WeakPolarHBondContact CA-O 3.25Å; E122-L175 HydrophobicContact CG-CD1 4.18Å
123	L	98.5	Very high	96.8	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	137.1	175	-61.5	177.2	0	0	0	110.7	L62 Y93 L107 V110 L114 L125 K173 V174 L176	L62-L123 HydrophobicContact CD1-CD2 4.36Å; L62-L123 HydrophobicContact CD2-CD2 4.48Å; Y93-L123 HydrophobicContact CD2-CD2 4.41Å; Y93-L123 CarbonylContact O-C 3.57Å; Y93-L123 VanDerWaalsContact O-CA 3.3Å; Y93-L123 WeakPolarHBondContact O-CA 3.27Å; L107-L123 HydrophobicContact CD1-CD1 4.2Å; V110-L123 HydrophobicContact CG1-CD1 3.48Å; V110-L123 VanDerWaalsContact CG1-CD1 3.48Å; V110-L123 HydrophobicContact CG2-CD1 4.44Å; L114-L123 HydrophobicContact CD1-CD1 3.8Å; L114-L123 HydrophobicContact CD1-CD2 3.54Å; L114-L123 HydrophobicContact CD1-CG 3.74Å; L123-L125 HydrophobicContact CB-CD2 4.39Å; L123-L125 HydrophobicContact CB-CG 4.34Å; L123-K173 CarbonylContact O-C 3.54Å; L123-K173 VanDerWaalsContact O-CA 3.28Å; L123-K173 WeakPolarHBondContact O-CA 3.31Å; L123-V174 HydrophobicContact CB-CB 4.04Å; L123-V174 HydrophobicContact CB-CG2 4.38Å; L123-V174 HydrophobicContact CD1-CB 4.4Å; L123-V174 PolarHBondContact N-O 3.19Å; L123-V174 PolarHBondContact O-N 2.79Å; L123-L176 HydrophobicContact CD1-CD2 4.22Å
124	L	98.7	Very high	96.6	Very high	37 Å²	37	35 Å²	35	19%	0.194	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	106.5	163.2	-169.7	68.1	0	0	0	108.8	Y93 E94 A95 I171 K173	Y93-L124 PolarHBondContact O-N 2.86Å; E94-L124 CarbonylContact C-O 3.57Å; E94-L124 VanDerWaalsContact CA-O 3.26Å; E94-L124 WeakPolarHBondContact CA-O 3.24Å; E94-L124 HydrophobicContact CB-CB 4.24Å; E94-L124 HydrophobicContact CG-CB 4.18Å; E94-L124 HydrophobicContact CG-CD2 4.29Å; E94-L124 HydrophobicContact CG-CG 4.45Å; A95-L124 PolarHBondContact N-O 2.9Å; L124-I171 HydrophobicContact CD1-CG2 3.5Å; L124-I171 HydrophobicContact CG-CG2 4.34Å; L124-K173 HydrophobicContact CD1-CG 3.67Å
125	L	98.7	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	134.1	-179.5	-56.3	-178.2	0	0	0	110.4	L62 A95 V103 M106 L107 L123 I171 V172 V174	L62-L125 HydrophobicContact CD2-CD2 3.75Å; A95-L125 HydrophobicContact CB-CD2 4.04Å; A95-L125 CarbonylContact O-C 3.59Å; A95-L125 WeakPolarHBondContact O-CA 3.34Å; V103-L125 HydrophobicContact CB-CB 4.19Å; V103-L125 HydrophobicContact CG1-CB 4.27Å; M106-L125 HydrophobicContact CB-CD1 4.48Å; M106-L125 HydrophobicContact CE-CD2 4.27Å; L107-L125 HydrophobicContact CB-CD1 3.87Å; L107-L125 HydrophobicContact CD1-CD1 4.24Å; L123-L125 HydrophobicContact CB-CD2 4.39Å; L123-L125 HydrophobicContact CB-CG 4.34Å; L125-I171 WeakPolarHBondContact O-CA 3.32Å; L125-V172 PolarHBondContact N-O 2.86Å; L125-V172 PolarHBondContact O-N 3.36Å; L125-V174 HydrophobicContact CD1-CG2 4.45Å
126	R	98.6	Very high	96.5	Very high	70 Å²	70	35.7 Å²	35.7	26%	0.264	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.7	176.4	-54.7	-178.5	-169.3	-106.5	3.7	112.4	E94 A95 D96 A97 V103 G170 I171	E94-R126 IonicContact OE1-CZ 2.71Å; E94-R126 VanDerWaalsContact OE1-CZ 3.24Å; E94-R126 IonicContact OE1-NE 2.92Å; E94-R126 PolarHBondContact OE1-NE 3.22Å; E94-R126 IonicContact OE1-NH2 3.24Å; E94-R126 PolarHBondContact OE1-NH2 3.34Å; A95-R126 PolarHBondContact O-N 3.07Å; D96-R126 WeakPolarHBondContact CA-O 3.13Å; D96-R126 HydrophobicContact CB-CB 3.9Å; D96-R126 HydrophobicContact CB-CG 4.46Å; D96-R126 WeakPolarHBondContact OD1-CB 3.45Å; A97-R126 PolarHBondContact N-O 2.86Å; V103-R126 VanDerWaalsContact CG1-C 3.45Å; R126-G170 WeakPolarHBondContact CA-O 3.23Å; R126-I171 HydrophobicContact CG-CG1 4.42Å
127	G	97.9	Very high	96.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.3	-148.4	-177.4	0	0	0	0	0	112.8	T99 G101 G168 G169 G170	T99-G127 WeakPolarHBondContact O-CA 3.4Å; G101-G127 CarbonylContact O-C 3.56Å; G101-G127 WeakPolarHBondContact O-CA 3.32Å; G127-G168 CarbonylContact O-C 3.46Å; G127-G169 PolarHBondContact O-N 2.95Å; G127-G170 PolarHBondContact N-O 2.92Å; G127-G170 VanDerWaalsContact O-CA 3.27Å; G127-G170 WeakPolarHBondContact O-CA 3.46Å; G127-G170 PolarHBondContact O-N 3.26Å
128	G	97.9	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-85.9	128.3	171.1	0	0	0	0	0	111.6	G101 V103 G163	G101-G128 PolarHBondContact O-N 3.03Å; V103-G128 WeakPolarHBondContact CG2-O 3.38Å; V103-G128 PolarHBondContact N-O 3.46Å; G128-G163 CarbonylContact C-O 3.55Å; G128-G163 VanDerWaalsContact CA-O 3.29Å; G128-G163 WeakPolarHBondContact CA-O 3.39Å
129	T	98	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-86.3	-31.8	175.2	53.9	0	0	0	0	112.4	V103 P136 I137 R162 G163 V172	V103-T129 HydrophobicContact CG2-CG2 4.26Å; T129-P136 CarbonylContact O-C 3.48Å; T129-P136 WeakPolarHBondContact O-CA 3.45Å; T129-I137 HydrophobicContact CG2-CG2 3.99Å; T129-I137 PolarHBondContact O-N 3.28Å; T129-R162 WeakPolarHBondContact OG1-CA 3.43Å; T129-G163 PolarHBondContact N-O 3.39Å; T129-G163 PolarHBondContact OG1-N 3.16Å; T129-G163 PolarHBondContact OG1-O 2.85Å; T129-V172 HydrophobicContact CG2-CG2 4.02Å
130	D	96	Very high	96.7	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-134.3	96.9	-178.4	-55.8	-104.3	0	0	0	106.1	P136 R162 F164 I267	D130-P136 HydrophobicContact CB-CB 4.46Å; D130-P136 VanDerWaalsContact OD1-CB 3.31Å; D130-P136 WeakPolarHBondContact OD1-CB 3.28Å; D130-R162 IonicContact OD1-NH1 2.72Å; D130-R162 PolarHBondContact OD1-NH1 2.78Å; D130-R162 IonicContact OD2-NH1 3.21Å; D130-R162 PolarHBondContact OD2-NH1 3.38Å; D130-F164 HydrophobicContact CB-CD1 4Å; D130-F164 HydrophobicContact CB-CE1 3.87Å; D130-F164 WeakPolarHBondContact OD2-CE1 3.4Å; D130-I267 WeakPolarHBondContact O-CD1 3.24Å
131	T	93.1	Very high	96.7	Very high	17 Å²	17	28.6 Å²	28.6	10%	0.104	15%	0.145	C	C	.	.			trans	-121.8	149.7	-172.8	61.4	0	0	0	0	110.3	A100 S102 A134	A100-T131 WeakPolarHBondContact O-CG2 3.42Å; S102-T131 WeakPolarHBondContact CB-OG1 3.28Å; T131-A134 WeakPolarHBondContact OG1-CB 3.27Å
132	S	87.4	Confident	96.6	Very high	78 Å²	78	32.3 Å²	32.3	55%	0.545	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	143.6	170.4	-51.8	0	0	0	0	110.7	A134	S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.23Å
133	F	85.8	Confident	96.6	Very high	196 Å²	196	26.6 Å²	26.6	86%	0.86	14%	0.136	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	23.2	175.6	-41.2	-72.4	0	0	0	115.6
134	A	94.3	Very high	96.6	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.041	14%	0.135	C	C	.	.	S	Bend	trans	-144.8	155.2	169.4	0	0	0	0	0	109.6	S102 L105 T131 S132 Y299	S102-A134 WeakPolarHBondContact OG-CB 3.17Å; L105-A134 HydrophobicContact CD1-CB 3.82Å; L105-A134 HydrophobicContact CD2-CB 4.18Å; L105-A134 HydrophobicContact CG-CB 3.83Å; T131-A134 WeakPolarHBondContact OG1-CB 3.27Å; S132-A134 VanDerWaalsContact C-N 3.27Å; S132-A134 PolarHBondContact O-N 3.23Å; A134-Y299 PolarHBondContact O-OH 3.39Å
135	P	97.2	Very high	96.6	Very high	3 Å²	3	25 Å²	25	2%	0.019	13%	0.128	C	C	.	.			trans	-59.7	134.9	171.2	23.2	-31.8	0	0	0	110	S104 Y139 M140 Y299	S104-P135 WeakPolarHBondContact CB-O 3.34Å; S104-P135 PolarHBondContact OG-O 3.14Å; P135-Y139 HydrophobicContact CB-CD1 3.69Å; P135-Y139 HydrophobicContact CB-CE1 4.42Å; P135-Y139 HydrophobicContact CB-CG 3.84Å; P135-M140 HydrophobicContact CG-SD 4.21Å; P135-Y299 HydrophobicContact CB-CD1 4.42Å; P135-Y299 HydrophobicContact CB-CD2 3.98Å; P135-Y299 HydrophobicContact CB-CE2 4.2Å; P135-Y299 HydrophobicContact CB-CG 4.1Å; P135-Y299 HydrophobicContact CG-CD1 4.45Å
136	P	97.9	Very high	96.6	Very high	10 Å²	10	26 Å²	26	7%	0.065	13%	0.132	C	C	.	.			trans	-61.4	154.4	170.9	28.3	-34.3	0	0	0	109.3	T129 D130 S138 Y139 M251 S265	T129-P136 CarbonylContact O-C 3.48Å; T129-P136 WeakPolarHBondContact O-CA 3.45Å; D130-P136 HydrophobicContact CB-CB 4.46Å; D130-P136 VanDerWaalsContact OD1-CB 3.31Å; D130-P136 WeakPolarHBondContact OD1-CB 3.28Å; P136-S138 PolarHBondContact O-N 2.84Å; P136-S138 VanDerWaalsContact O-N 3.13Å; P136-Y139 WeakPolarHBondContact O-CA 3.42Å; P136-Y139 WeakPolarHBondContact O-CB 3.47Å; P136-Y139 PolarHBondContact O-N 3.29Å; P136-M251 HydrophobicContact CG-SD 4.19Å; P136-S265 WeakPolarHBondContact CD-OG 3.43Å
137	I	98.5	Very high	96.6	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.2	-29.9	-177.2	-169.6	60.9	0	0	0	112	V103 S104 L107 T129 Y139 M140 V141 V157 I159 V172	V103-I137 HydrophobicContact CG2-CB 4.33Å; V103-I137 HydrophobicContact CG2-CD1 4.06Å; V103-I137 HydrophobicContact CG2-CG1 4.31Å; S104-I137 WeakPolarHBondContact OG-CA 3.18Å; S104-I137 PolarHBondContact OG-N 2.8Å; L107-I137 HydrophobicContact CD2-CD1 4.39Å; T129-I137 HydrophobicContact CG2-CG2 3.99Å; T129-I137 PolarHBondContact O-N 3.28Å; I137-Y139 PolarHBondContact O-N 2.77Å; I137-M140 HydrophobicContact CD1-CB 4.04Å; I137-M140 HydrophobicContact CD1-CG 3.94Å; I137-M140 WeakPolarHBondContact O-CA 3.37Å; I137-M140 VanDerWaalsContact O-CB 3.32Å; I137-M140 WeakPolarHBondContact O-CB 3.35Å; I137-M140 PolarHBondContact O-N 3Å; I137-V141 WeakPolarHBondContact O-CG2 3.38Å; I137-V141 PolarHBondContact O-N 3.24Å; I137-V141 VanDerWaalsContact O-N 3.14Å; I137-V157 HydrophobicContact CD1-CG1 3.87Å; I137-V157 HydrophobicContact CG1-CG1 3.9Å; I137-I159 HydrophobicContact CG1-CG1 4.39Å; I137-I159 HydrophobicContact CG2-CD1 3.6Å; I137-I159 HydrophobicContact CG2-CG1 3.8Å; I137-V172 HydrophobicContact CD1-CG1 4.16Å; I137-V172 HydrophobicContact CD1-CG2 4.37Å; I137-V172 HydrophobicContact CG1-CG1 4.08Å; I137-V172 HydrophobicContact CG1-CG2 3.86Å
138	S	98.1	Very high	96.6	Very high	8 Å²	8	23 Å²	23	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-29.7	173.6	-46.3	0	0	0	0	112.2	P136 M140 V141 E142 R162 Y200	P136-S138 PolarHBondContact O-N 2.84Å; P136-S138 VanDerWaalsContact O-N 3.13Å; S138-M140 VanDerWaalsContact C-N 3.31Å; S138-V141 WeakPolarHBondContact O-CB 3.3Å; S138-V141 PolarHBondContact O-N 3.21Å; S138-E142 WeakPolarHBondContact O-CB 3.08Å; S138-E142 WeakPolarHBondContact O-CG 3.38Å; S138-E142 PolarHBondContact O-N 3.23Å; S138-R162 PolarHBondContact OG-NH1 2.76Å; S138-R162 PolarHBondContact OG-NH2 3.18Å; S138-Y200 VanDerWaalsContact CB-OH 3.23Å; S138-Y200 WeakPolarHBondContact CB-OH 3.49Å; S138-Y200 PolarHBondContact OG-OH 3.39Å
139	Y	98.7	Very high	96.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-39.4	172.7	-178.7	-77.7	0	0	0	110.7	P135 P136 I137 V141 E142 V143 T144 M251 A263 D297 Y299 M300	P135-Y139 HydrophobicContact CB-CD1 3.69Å; P135-Y139 HydrophobicContact CB-CE1 4.42Å; P135-Y139 HydrophobicContact CB-CG 3.84Å; P136-Y139 WeakPolarHBondContact O-CA 3.42Å; P136-Y139 WeakPolarHBondContact O-CB 3.47Å; P136-Y139 PolarHBondContact O-N 3.29Å; I137-Y139 PolarHBondContact O-N 2.77Å; Y139-V141 VanDerWaalsContact C-N 3.29Å; Y139-V141 PolarHBondContact O-N 3.37Å; Y139-E142 PolarHBondContact O-N 3.38Å; Y139-V143 HydrophobicContact CD1-CB 4.16Å; Y139-V143 HydrophobicContact CD2-CB 4.2Å; Y139-V143 HydrophobicContact CD2-CG2 4Å; Y139-V143 HydrophobicContact CE1-CB 3.87Å; Y139-V143 HydrophobicContact CE1-CG1 4.02Å; Y139-V143 HydrophobicContact CE2-CB 3.95Å; Y139-V143 HydrophobicContact CE2-CG1 4Å; Y139-V143 HydrophobicContact CE2-CG2 3.96Å; Y139-V143 HydrophobicContact CG-CB 4.28Å; Y139-V143 HydrophobicContact CG-CG2 4.38Å; Y139-V143 WeakPolarHBondContact O-CA 3.11Å; Y139-V143 WeakPolarHBondContact O-CB 3.45Å; Y139-V143 PolarHBondContact O-N 3.15Å; Y139-V143 WeakPolarHBondContact OH-CG1 3.38Å; Y139-T144 WeakPolarHBondContact CD1-OG1 3.47Å; Y139-T144 WeakPolarHBondContact CE1-OG1 3.43Å; Y139-T144 PolarHBondContact O-N 3.49Å; Y139-T144 VanDerWaalsContact O-N 3.09Å; Y139-M251 PolarHBondContact N-SD 2.87Å; Y139-A263 HydrophobicContact CD2-CB 3.87Å; Y139-A263 HydrophobicContact CE2-CB 3.82Å; Y139-D297 PolarHBondContact OH-OD1 2.86Å; Y139-D297 PolarHBondContact OH-OD2 3.37Å; Y139-Y299 HydrophobicContact CD2-CD2 4.26Å; Y139-Y299 HydrophobicContact CE2-CD2 4.05Å; Y139-M300 VanDerWaalsContact OH-CB 3.29Å; Y139-M300 WeakPolarHBondContact OH-CB 3.16Å; Y139-M300 PolarHBondContact OH-N 2.75Å; Y139-M300 VanDerWaalsContact OH-N 3.07Å
140	M	98.6	Very high	96.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.015	16%	0.16	C	C	.	.	I	π-helix	trans	-63.7	-39.1	176.2	-54.8	-60.9	-63.6	0	0	111.3	L107 Q108 P135 I137 S138 T144 S145	L107-M140 HydrophobicContact CD2-CB 4.28Å; L107-M140 HydrophobicContact CD2-CE 4.13Å; L107-M140 HydrophobicContact CD2-CG 4.48Å; L107-M140 HydrophobicContact CG-CE 4.31Å; Q108-M140 HydrophobicContact CG-CE 3.79Å; Q108-M140 HydrophobicContact CG-SD 4.38Å; P135-M140 HydrophobicContact CG-SD 4.21Å; I137-M140 HydrophobicContact CD1-CB 4.04Å; I137-M140 HydrophobicContact CD1-CG 3.94Å; I137-M140 WeakPolarHBondContact O-CA 3.37Å; I137-M140 VanDerWaalsContact O-CB 3.32Å; I137-M140 WeakPolarHBondContact O-CB 3.35Å; I137-M140 PolarHBondContact O-N 3Å; S138-M140 VanDerWaalsContact C-N 3.31Å; M140-T144 HydrophobicContact CE-CG2 3.65Å; M140-T144 HydrophobicContact SD-CG2 4.38Å; M140-T144 PolarHBondContact SD-OG1 2.91Å; M140-T144 VanDerWaalsContact SD-OG1 3.4Å; M140-S145 WeakPolarHBondContact O-CB 3.05Å; M140-S145 PolarHBondContact O-N 3.5Å; M140-S145 PolarHBondContact O-OG 3.44Å
141	V	98.5	Very high	96.8	Very high	44 Å²	44	32.5 Å²	32.5	27%	0.267	16%	0.159	S	C	.	.	I	π-helix	trans	-63.8	-52.7	176.6	178.9	0	0	0	0	110.6	I137 S138 Y139 V157	I137-V141 WeakPolarHBondContact O-CG2 3.38Å; I137-V141 PolarHBondContact O-N 3.24Å; I137-V141 VanDerWaalsContact O-N 3.14Å; S138-V141 WeakPolarHBondContact O-CB 3.3Å; S138-V141 PolarHBondContact O-N 3.21Å; Y139-V141 VanDerWaalsContact C-N 3.29Å; Y139-V141 PolarHBondContact O-N 3.37Å; V141-V157 HydrophobicContact CG2-CB 3.75Å; V141-V157 HydrophobicContact CG2-CG1 3.74Å
142	E	97.9	Very high	97	Very high	78 Å²	78	33.6 Å²	33.6	36%	0.364	17%	0.174	S	C	.	.	I	π-helix	trans	-88.2	-34.9	-166.9	-66	-58.4	150.5	0	0	114.1	S138 Y139 M251 R261	S138-E142 WeakPolarHBondContact O-CB 3.08Å; S138-E142 WeakPolarHBondContact O-CG 3.38Å; S138-E142 PolarHBondContact O-N 3.23Å; Y139-E142 PolarHBondContact O-N 3.38Å; E142-M251 HydrophobicContact CB-CE 4.11Å; E142-M251 HydrophobicContact CG-CE 3.87Å; E142-R261 WeakPolarHBondContact O-CD 3.4Å; E142-R261 PolarHBondContact O-NH1 3.29Å; E142-R261 IonicContact OE2-NH1 3.79Å
143	V	98.7	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	I	π-helix	trans	-112.4	-57.2	-170.1	-173	0	0	0	0	110.9	Y139 S145 H146 Y147 V253 R261 A263 M300	Y139-V143 HydrophobicContact CD1-CB 4.16Å; Y139-V143 HydrophobicContact CD2-CB 4.2Å; Y139-V143 HydrophobicContact CD2-CG2 4Å; Y139-V143 HydrophobicContact CE1-CB 3.87Å; Y139-V143 HydrophobicContact CE1-CG1 4.02Å; Y139-V143 HydrophobicContact CE2-CB 3.95Å; Y139-V143 HydrophobicContact CE2-CG1 4Å; Y139-V143 HydrophobicContact CE2-CG2 3.96Å; Y139-V143 HydrophobicContact CG-CB 4.28Å; Y139-V143 HydrophobicContact CG-CG2 4.38Å; Y139-V143 WeakPolarHBondContact O-CA 3.11Å; Y139-V143 WeakPolarHBondContact O-CB 3.45Å; Y139-V143 PolarHBondContact O-N 3.15Å; Y139-V143 WeakPolarHBondContact OH-CG1 3.38Å; V143-S145 PolarHBondContact O-N 3.49Å; V143-H146 VanDerWaalsContact O-CB 3.31Å; V143-H146 WeakPolarHBondContact O-CB 3.24Å; V143-H146 PolarHBondContact O-N 2.79Å; V143-Y147 HydrophobicContact CG1-CD2 3.97Å; V143-Y147 HydrophobicContact CG1-CE2 3.8Å; V143-Y147 VanDerWaalsContact O-CD2 3.3Å; V143-Y147 WeakPolarHBondContact O-CD2 3.4Å; V143-Y147 PolarHBondContact O-N 3.38Å; V143-Y147 VanDerWaalsContact O-N 3.15Å; V143-V253 HydrophobicContact CG2-CG1 4.39Å; V143-R261 HydrophobicContact CG1-CB 4.44Å; V143-A263 HydrophobicContact CG2-CB 3.85Å; V143-M300 HydrophobicContact CG1-SD 4.47Å
144	T	98.7	Very high	98.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	12%	0.118	C	C	.	.	I	π-helix	trans	-61.6	-48.2	-177.2	-53.5	0	0	0	0	111.6	Y139 M140 H146 Y147 F148 M300 Q303	Y139-T144 WeakPolarHBondContact CD1-OG1 3.47Å; Y139-T144 WeakPolarHBondContact CE1-OG1 3.43Å; Y139-T144 PolarHBondContact O-N 3.49Å; Y139-T144 VanDerWaalsContact O-N 3.09Å; M140-T144 HydrophobicContact CE-CG2 3.65Å; M140-T144 HydrophobicContact SD-CG2 4.38Å; M140-T144 PolarHBondContact SD-OG1 2.91Å; M140-T144 VanDerWaalsContact SD-OG1 3.4Å; T144-H146 PolarHBondContact O-N 2.97Å; T144-Y147 PolarHBondContact O-N 3.44Å; T144-F148 HydrophobicContact CG2-CD1 4.08Å; T144-F148 HydrophobicContact CG2-CD2 3.75Å; T144-F148 HydrophobicContact CG2-CE1 3.77Å; T144-F148 HydrophobicContact CG2-CE2 3.43Å; T144-F148 VanDerWaalsContact CG2-CE2 3.43Å; T144-F148 HydrophobicContact CG2-CG 4.09Å; T144-F148 HydrophobicContact CG2-CZ 3.44Å; T144-F148 VanDerWaalsContact CG2-CZ 3.44Å; T144-F148 VanDerWaalsContact O-CB 3.31Å; T144-F148 WeakPolarHBondContact O-CB 3.43Å; T144-F148 VanDerWaalsContact O-CG 3.32Å; T144-F148 WeakPolarHBondContact O-CG 3.47Å; T144-F148 PolarHBondContact O-N 3.08Å; T144-M300 HydrophobicContact CG2-CE 4.27Å; T144-M300 HydrophobicContact CG2-SD 4.49Å; T144-Q303 PolarHBondContact OG1-OE1 3.27Å
145	S	98.3	Very high	98.3	Very high	8 Å²	8	22.2 Å²	22.2	6%	0.056	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-27.4	-179.7	-58.1	0	0	0	0	112.5	M140 V143 R149 C155	M140-S145 WeakPolarHBondContact O-CB 3.05Å; M140-S145 PolarHBondContact O-N 3.5Å; M140-S145 PolarHBondContact O-OG 3.44Å; V143-S145 PolarHBondContact O-N 3.49Å; S145-R149 VanDerWaalsContact O-CB 3.25Å; S145-R149 WeakPolarHBondContact O-CB 3.43Å; S145-R149 PolarHBondContact O-N 3.48Å; S145-C155 WeakPolarHBondContact CB-O 3.26Å; S145-C155 PolarHBondContact OG-O 3.48Å
146	H	98.5	Very high	98.4	Very high	20 Å²	20	26.7 Å²	26.7	9%	0.093	14%	0.137	C	C	.	.	H	α-helix	trans	-64.3	-53.9	173.1	176.5	70.1	0	0	0	111.5	V143 T144 R149 K150 D259 R261	V143-H146 VanDerWaalsContact O-CB 3.31Å; V143-H146 WeakPolarHBondContact O-CB 3.24Å; V143-H146 PolarHBondContact O-N 2.79Å; T144-H146 PolarHBondContact O-N 2.97Å; H146-R149 WeakPolarHBondContact O-CB 3.44Å; H146-R149 PolarHBondContact O-N 3.08Å; H146-K150 WeakPolarHBondContact NE2-CE 3.46Å; H146-K150 PolarHBondContact O-N 2.76Å; H146-D259 VanDerWaalsContact CE1-CG 3.45Å; H146-D259 IonicContact CE1-OD1 3.36Å; H146-D259 PolarHBondContact CE1-OD1 3.28Å; H146-D259 IonicContact CE1-OD2 2.94Å; H146-D259 PolarHBondContact CE1-OD2 2.92Å; H146-D259 VanDerWaalsContact CE1-OD2 3.23Å; H146-D259 PolarHBondContact NE2-O 3.01Å; H146-D259 IonicContact NE2-OD1 3.18Å; H146-D259 IonicContact NE2-OD2 2.91Å; H146-R261 PolarHBondContact ND1-NE 3.13Å
147	Y	98.6	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-69.5	-36.5	179.9	-73.3	-68.8	0	0	0	113.3	V143 T144 R149 K150 M151 I186 L188 C260 R261 C295 M300	V143-Y147 HydrophobicContact CG1-CD2 3.97Å; V143-Y147 HydrophobicContact CG1-CE2 3.8Å; V143-Y147 VanDerWaalsContact O-CD2 3.3Å; V143-Y147 WeakPolarHBondContact O-CD2 3.4Å; V143-Y147 PolarHBondContact O-N 3.38Å; V143-Y147 VanDerWaalsContact O-N 3.15Å; T144-Y147 PolarHBondContact O-N 3.44Å; Y147-R149 VanDerWaalsContact C-N 3.29Å; Y147-R149 PolarHBondContact O-N 2.86Å; Y147-K150 HydrophobicContact CD1-CD 4.12Å; Y147-K150 WeakPolarHBondContact O-CB 3.45Å; Y147-K150 PolarHBondContact O-N 3.39Å; Y147-M151 PolarHBondContact O-N 3.25Å; Y147-I186 HydrophobicContact CD1-CD1 4.11Å; Y147-L188 HydrophobicContact CD1-CD1 3.62Å; Y147-L188 HydrophobicContact CE1-CD1 3.36Å; Y147-L188 HydrophobicContact CE1-CD2 4.24Å; Y147-L188 HydrophobicContact CE1-CG 4.45Å; Y147-C260 WeakPolarHBondContact OH-CA 3.22Å; Y147-R261 HydrophobicContact CE2-CB 4.39Å; Y147-R261 VanDerWaalsContact CE2-O 3.24Å; Y147-R261 WeakPolarHBondContact CE2-O 3.48Å; Y147-R261 PolarHBondContact OH-N 3.31Å; Y147-R261 PolarHBondContact OH-O 3.28Å; Y147-C295 PolarHBondContact OH-O 2.88Å; Y147-M300 HydrophobicContact CD2-CG 3.5Å; Y147-M300 VanDerWaalsContact CD2-CG 3.5Å; Y147-M300 HydrophobicContact CD2-SD 3.65Å; Y147-M300 HydrophobicContact CE2-CG 3.93Å; Y147-M300 HydrophobicContact CG-CG 4.06Å; Y147-M300 HydrophobicContact CG-SD 4.2Å
148	F	98.6	Very high	98.4	Very high	7 Å²	7	34 Å²	34	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-59.4	-42	172.9	-78.8	5.6	0	0	0	111.4	T144 K150 M151 G152 L153 M300 P307	T144-F148 HydrophobicContact CG2-CD1 4.08Å; T144-F148 HydrophobicContact CG2-CD2 3.75Å; T144-F148 HydrophobicContact CG2-CE1 3.77Å; T144-F148 HydrophobicContact CG2-CE2 3.43Å; T144-F148 VanDerWaalsContact CG2-CE2 3.43Å; T144-F148 HydrophobicContact CG2-CG 4.09Å; T144-F148 HydrophobicContact CG2-CZ 3.44Å; T144-F148 VanDerWaalsContact CG2-CZ 3.44Å; T144-F148 VanDerWaalsContact O-CB 3.31Å; T144-F148 WeakPolarHBondContact O-CB 3.43Å; T144-F148 VanDerWaalsContact O-CG 3.32Å; T144-F148 WeakPolarHBondContact O-CG 3.47Å; T144-F148 PolarHBondContact O-N 3.08Å; F148-K150 VanDerWaalsContact C-N 3.33Å; F148-K150 PolarHBondContact O-N 3.02Å; F148-M151 CarbonylContact O-C 3.53Å; F148-M151 PolarHBondContact O-N 3.23Å; F148-G152 PolarHBondContact O-N 3.21Å; F148-L153 CarbonylContact C-O 3.56Å; F148-L153 HydrophobicContact CB-CB 4Å; F148-L153 HydrophobicContact CB-CD2 4.07Å; F148-L153 HydrophobicContact CB-CG 4.43Å; F148-L153 WeakPolarHBondContact CB-O 3.46Å; F148-L153 HydrophobicContact CD2-CD1 4.16Å; F148-L153 HydrophobicContact CD2-CD2 3.76Å; F148-L153 HydrophobicContact CD2-CG 4.46Å; F148-L153 HydrophobicContact CG-CD1 4.35Å; F148-L153 HydrophobicContact CG-CD2 4.22Å; F148-L153 PolarHBondContact O-N 2.99Å; F148-M300 HydrophobicContact CD1-CE 4.28Å; F148-M300 HydrophobicContact CE1-CE 3.89Å; F148-P307 HydrophobicContact CD1-CG 4.44Å; F148-P307 HydrophobicContact CE1-CG 3.87Å; F148-P307 HydrophobicContact CZ-CG 4.49Å
149	R	98.3	Very high	98.4	Very high	129 Å²	129	35.9 Å²	35.9	49%	0.487	18%	0.179	S	C	.	.	H	α-helix	trans	-63.2	-36.9	177.1	-170.6	-178	-54.8	-85.3	-3.3	112.5	S145 H146 Y147 M151 G152 L153	S145-R149 VanDerWaalsContact O-CB 3.25Å; S145-R149 WeakPolarHBondContact O-CB 3.43Å; S145-R149 PolarHBondContact O-N 3.48Å; H146-R149 WeakPolarHBondContact O-CB 3.44Å; H146-R149 PolarHBondContact O-N 3.08Å; Y147-R149 VanDerWaalsContact C-N 3.29Å; Y147-R149 PolarHBondContact O-N 2.86Å; R149-M151 PolarHBondContact O-N 3.2Å; R149-M151 VanDerWaalsContact O-N 3.16Å; R149-G152 PolarHBondContact O-N 3.37Å; R149-L153 WeakPolarHBondContact CA-O 3.39Å; R149-L153 PolarHBondContact N-O 3.27Å; R149-L153 VanDerWaalsContact N-O 3.16Å
150	K	98.4	Very high	98.4	Very high	73 Å²	73	38.6 Å²	38.6	32%	0.317	20%	0.195	S	C	.	.	H	α-helix	trans	-58.8	-24.1	173.3	-71	-179.5	176.2	-78.4	0	113.1	H146 Y147 F148 I186 D259	H146-K150 WeakPolarHBondContact NE2-CE 3.46Å; H146-K150 PolarHBondContact O-N 2.76Å; Y147-K150 HydrophobicContact CD1-CD 4.12Å; Y147-K150 WeakPolarHBondContact O-CB 3.45Å; Y147-K150 PolarHBondContact O-N 3.39Å; F148-K150 VanDerWaalsContact C-N 3.33Å; F148-K150 PolarHBondContact O-N 3.02Å; K150-I186 HydrophobicContact CB-CD1 3.92Å; K150-I186 HydrophobicContact CB-CG1 4.48Å; K150-I186 HydrophobicContact CD-CD1 4.22Å; K150-D259 WeakPolarHBondContact CE-O 3.31Å; K150-D259 VanDerWaalsContact CE-OD2 3.3Å; K150-D259 WeakPolarHBondContact CE-OD2 3.39Å; K150-D259 PolarHBondContact NZ-O 3.02Å; K150-D259 IonicContact NZ-OD2 3.57Å; K150-D259 PolarHBondContact NZ-OD2 3.09Å
151	M	98.6	Very high	98.3	Very high	1 Å²	1	42 Å²	42	1%	0.005	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	0.9	177	-57.2	-175.4	75.2	0	0	113.4	Y147 F148 R149 L183 S184 I186 L304 P307 M308 A311	Y147-M151 PolarHBondContact O-N 3.25Å; F148-M151 CarbonylContact O-C 3.53Å; F148-M151 PolarHBondContact O-N 3.23Å; R149-M151 PolarHBondContact O-N 3.2Å; R149-M151 VanDerWaalsContact O-N 3.16Å; M151-L183 HydrophobicContact CB-CD2 4.14Å; M151-L183 WeakPolarHBondContact O-CD2 3.25Å; M151-S184 VanDerWaalsContact CE-O 3.22Å; M151-S184 WeakPolarHBondContact CE-O 3.11Å; M151-S184 PolarHBondContact O-N 3.06Å; M151-I186 HydrophobicContact CE-CB 4.35Å; M151-I186 HydrophobicContact CE-CG2 4.26Å; M151-I186 HydrophobicContact CG-CB 3.92Å; M151-I186 HydrophobicContact CG-CD1 4.08Å; M151-I186 HydrophobicContact CG-CG1 4.35Å; M151-I186 HydrophobicContact SD-CB 4.14Å; M151-I186 HydrophobicContact SD-CD1 4.49Å; M151-I186 HydrophobicContact SD-CG2 4.06Å; M151-L304 HydrophobicContact SD-CD2 3.92Å; M151-P307 HydrophobicContact CE-CB 3.82Å; M151-P307 HydrophobicContact SD-CB 3.63Å; M151-M308 HydrophobicContact CE-CG 4.49Å; M151-A311 HydrophobicContact CE-CB 3.9Å
152	G	98.2	Very high	98.3	Very high	41 Å²	41	40.5 Å²	40.5	42%	0.423	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	-0.8	-177	0	0	0	0	0	115.2	F148 R149 V154 L179	F148-G152 PolarHBondContact O-N 3.21Å; R149-G152 PolarHBondContact O-N 3.37Å; G152-V154 PolarHBondContact O-N 2.74Å; G152-L179 WeakPolarHBondContact O-CD2 3.5Å
153	L	98.4	Very high	98.3	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.18	C	C	.	.			trans	-86.9	108.8	177.4	-166.1	168	0	0	0	110.1	A115 F148 R149 C155 L176 L179 L183	A115-L153 HydrophobicContact CB-CD1 3.87Å; A115-L153 HydrophobicContact CB-CD2 4.27Å; A115-L153 HydrophobicContact CB-CG 3.64Å; F148-L153 CarbonylContact C-O 3.56Å; F148-L153 HydrophobicContact CB-CB 4Å; F148-L153 HydrophobicContact CB-CD2 4.07Å; F148-L153 HydrophobicContact CB-CG 4.43Å; F148-L153 WeakPolarHBondContact CB-O 3.46Å; F148-L153 HydrophobicContact CD2-CD1 4.16Å; F148-L153 HydrophobicContact CD2-CD2 3.76Å; F148-L153 HydrophobicContact CD2-CG 4.46Å; F148-L153 HydrophobicContact CG-CD1 4.35Å; F148-L153 HydrophobicContact CG-CD2 4.22Å; F148-L153 PolarHBondContact O-N 2.99Å; R149-L153 WeakPolarHBondContact CA-O 3.39Å; R149-L153 PolarHBondContact N-O 3.27Å; R149-L153 VanDerWaalsContact N-O 3.16Å; L153-C155 HydrophobicContact CD2-CB 3.95Å; L153-L176 HydrophobicContact CD2-CD1 4.06Å; L153-L179 HydrophobicContact CB-CD2 4.41Å; L153-L183 HydrophobicContact CB-CD2 3.96Å
154	V	98.4	Very high	98.1	Very high	35 Å²	35	36.9 Å²	36.9	21%	0.212	18%	0.18	C	C	.	.			trans	-98.2	109.6	179.6	-178.8	0	0	0	0	110.3	G152 E156 S177	G152-V154 PolarHBondContact O-N 2.74Å; V154-E156 HydrophobicContact CG1-CG 4.25Å; V154-S177 PolarHBondContact O-N 3.48Å; V154-S177 VanDerWaalsContact O-N 3.1Å
155	C	98.2	Very high	97.8	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.02	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.7	175	-175.8	0	0	0	0	108.4	S145 L153 V174 L176	S145-C155 WeakPolarHBondContact CB-O 3.26Å; S145-C155 PolarHBondContact OG-O 3.48Å; L153-C155 HydrophobicContact CD2-CB 3.95Å; C155-V174 VanDerWaalsContact SG-CG1 3.5Å; C155-L176 HydrophobicContact CB-CD1 3.77Å
156	E	98.6	Very high	97.4	Very high	97 Å²	97	49 Å²	49	45%	0.453	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	115.2	179.6	-67	176.5	-112.9	0	0	109.4	V154 V174 L175	V154-E156 HydrophobicContact CG1-CG 4.25Å; E156-V174 CarbonylContact O-C 3.56Å; E156-V174 VanDerWaalsContact O-CA 3.25Å; E156-V174 WeakPolarHBondContact O-CA 3.23Å; E156-V174 VanDerWaalsContact O-CG1 3.3Å; E156-V174 WeakPolarHBondContact O-CG1 3.44Å; E156-L175 HydrophobicContact CB-CB 4.31Å; E156-L175 PolarHBondContact N-O 3.28Å; E156-L175 PolarHBondContact O-N 2.86Å
157	V	98.7	Very high	97	Very high	20 Å²	20	52.9 Å²	52.9	12%	0.121	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.7	-172.4	-179.3	0	0	0	0	109.5	L107 I137 V141 V172 V174	L107-V157 HydrophobicContact CD2-CG2 3.68Å; I137-V157 HydrophobicContact CD1-CG1 3.87Å; I137-V157 HydrophobicContact CG1-CG1 3.9Å; V141-V157 HydrophobicContact CG2-CB 3.75Å; V141-V157 HydrophobicContact CG2-CG1 3.74Å; V157-V172 HydrophobicContact CG1-CG1 3.47Å; V157-V172 VanDerWaalsContact CG1-CG1 3.47Å; V157-V174 HydrophobicContact CG2-CG1 3.9Å; V157-V174 HydrophobicContact CG2-CG2 4.38Å
158	K	98.3	Very high	96.7	Very high	144 Å²	144	52.9 Å²	52.9	63%	0.626	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.9	174.7	-178.2	176	-178.4	172.9	0	110.7	V160 V172 K173	K158-V160 PolarHBondContact O-N 2.98Å; K158-V172 WeakPolarHBondContact O-CA 3.22Å; K158-K173 HydrophobicContact CB-CB 4.39Å; K158-K173 PolarHBondContact N-O 2.96Å; K158-K173 PolarHBondContact O-N 3.37Å
159	I	97.9	Very high	96.5	Very high	48 Å²	48	53.6 Å²	53.6	25%	0.246	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	113	174.4	-51	169.2	0	0	0	108	I137 R162	I137-I159 HydrophobicContact CG1-CG1 4.39Å; I137-I159 HydrophobicContact CG2-CD1 3.6Å; I137-I159 HydrophobicContact CG2-CG1 3.8Å; I159-R162 HydrophobicContact CG2-CG 3.83Å
160	V	97.7	Very high	96.5	Very high	56 Å²	56	47.5 Å²	47.5	34%	0.339	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-43.2	177.8	177.7	0	0	0	0	110.5	K158 I171 K173	K158-V160 PolarHBondContact O-N 2.98Å; V160-I171 HydrophobicContact CB-CB 4.2Å; V160-I171 HydrophobicContact CB-CG2 4.05Å; V160-I171 WeakPolarHBondContact CB-O 3.29Å; V160-I171 HydrophobicContact CG1-CG2 4.39Å; V160-I171 PolarHBondContact N-O 2.9Å; V160-K173 HydrophobicContact CG2-CB 4.34Å; V160-K173 HydrophobicContact CG2-CD 3.92Å; V160-K173 HydrophobicContact CG2-CG 3.81Å
161	R	97.7	Very high	96.5	Very high	74 Å²	74	45.1 Å²	45.1	28%	0.279	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	134.2	177.9	-172.9	169.3	70.8	179.9	3	108.8	G169 G170 I171 R242	R161-G169 PolarHBondContact NE-O 3.27Å; R161-G169 PolarHBondContact NH2-O 3.2Å; R161-G170 CarbonylContact O-C 3.51Å; R161-G170 VanDerWaalsContact O-CA 3.23Å; R161-G170 WeakPolarHBondContact O-CA 3.22Å; R161-I171 HydrophobicContact CB-CB 4.09Å; R161-I171 HydrophobicContact CB-CD1 4.35Å; R161-I171 HydrophobicContact CB-CG1 4.21Å; R161-I171 PolarHBondContact N-O 2.93Å; R161-I171 VanDerWaalsContact N-O 3.07Å; R161-I171 PolarHBondContact O-N 3.07Å; R161-R242 CarbonylContact C-O 3.23Å; R161-R242 WeakPolarHBondContact CA-O 3.31Å; R161-R242 WeakPolarHBondContact CG-O 3.41Å
162	R	98	Very high	96.5	Very high	14 Å²	14	45 Å²	45	5%	0.053	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	148.5	171.6	-65	-170.1	176.7	-91.4	-1.8	111.2	T129 D130 S138 I159 F164 E238 R242 C243 Q244	T129-R162 WeakPolarHBondContact OG1-CA 3.43Å; D130-R162 IonicContact OD1-NH1 2.72Å; D130-R162 PolarHBondContact OD1-NH1 2.78Å; D130-R162 IonicContact OD2-NH1 3.21Å; D130-R162 PolarHBondContact OD2-NH1 3.38Å; S138-R162 PolarHBondContact OG-NH1 2.76Å; S138-R162 PolarHBondContact OG-NH2 3.18Å; I159-R162 HydrophobicContact CG2-CG 3.83Å; R162-F164 HydrophobicContact CB-CE1 3.98Å; R162-F164 HydrophobicContact CB-CE2 3.93Å; R162-F164 HydrophobicContact CB-CZ 3.38Å; R162-F164 HydrophobicContact CG-CZ 4.26Å; R162-E238 VanDerWaalsContact CD-OE2 3.26Å; R162-E238 WeakPolarHBondContact CD-OE2 3.46Å; R162-E238 HydrophobicContact CG-CG 4.44Å; R162-E238 IonicContact NE-OE2 3.5Å; R162-E238 PolarHBondContact NE-OE2 2.94Å; R162-R242 PolarHBondContact N-O 2.8Å; R162-C243 CarbonylContact O-C 3.57Å; R162-C243 VanDerWaalsContact O-CA 3.25Å; R162-C243 WeakPolarHBondContact O-CA 3.47Å; R162-Q244 PolarHBondContact O-N 3.03Å
163	G	97	Very high	96.5	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	134	180	0	0	0	0	0	111.2	G128 T129 G168	G128-G163 CarbonylContact C-O 3.55Å; G128-G163 VanDerWaalsContact CA-O 3.29Å; G128-G163 WeakPolarHBondContact CA-O 3.39Å; T129-G163 PolarHBondContact N-O 3.39Å; T129-G163 PolarHBondContact OG1-N 3.16Å; T129-G163 PolarHBondContact OG1-O 2.85Å; G163-G168 CarbonylContact C-O 3.55Å; G163-G168 WeakPolarHBondContact CA-O 3.44Å
164	F	95.5	Very high	96.6	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-126.8	155.1	-168.6	-49.7	-65.1	0	0	0	111.9	D130 R162 L167 G168 L202 A204 C243 Q244 V247	D130-F164 HydrophobicContact CB-CD1 4Å; D130-F164 HydrophobicContact CB-CE1 3.87Å; D130-F164 WeakPolarHBondContact OD2-CE1 3.4Å; R162-F164 HydrophobicContact CB-CE1 3.98Å; R162-F164 HydrophobicContact CB-CE2 3.93Å; R162-F164 HydrophobicContact CB-CZ 3.38Å; R162-F164 HydrophobicContact CG-CZ 4.26Å; F164-L167 PolarHBondContact O-N 2.92Å; F164-L167 VanDerWaalsContact O-N 3.12Å; F164-G168 PolarHBondContact N-O 2.83Å; F164-G168 PolarHBondContact O-N 2.96Å; F164-L202 HydrophobicContact CE1-CD2 4.4Å; F164-L202 HydrophobicContact CZ-CD2 4.21Å; F164-A204 HydrophobicContact CD2-CB 4.14Å; F164-A204 HydrophobicContact CE2-CB 3.33Å; F164-A204 HydrophobicContact CZ-CB 3.94Å; F164-C243 HydrophobicContact CE2-CB 3.92Å; F164-Q244 WeakPolarHBondContact CD2-O 3.36Å; F164-Q244 PolarHBondContact N-O 3Å; F164-V247 HydrophobicContact CB-CB 4.3Å; F164-V247 HydrophobicContact CD1-CB 3.6Å; F164-V247 HydrophobicContact CD1-CG1 3.92Å; F164-V247 HydrophobicContact CD1-CG2 3.67Å; F164-V247 HydrophobicContact CD2-CB 3.86Å; F164-V247 HydrophobicContact CD2-CG1 4.13Å; F164-V247 HydrophobicContact CE1-CB 3.75Å; F164-V247 HydrophobicContact CE1-CG1 3.49Å; F164-V247 VanDerWaalsContact CE1-CG1 3.49Å; F164-V247 HydrophobicContact CE1-CG2 3.96Å; F164-V247 HydrophobicContact CE2-CB 4.01Å; F164-V247 HydrophobicContact CE2-CG1 3.73Å; F164-V247 HydrophobicContact CG-CB 3.64Å; F164-V247 HydrophobicContact CG-CG1 4.21Å; F164-V247 HydrophobicContact CG-CG2 4.1Å; F164-V247 HydrophobicContact CZ-CB 3.94Å; F164-V247 HydrophobicContact CZ-CG1 3.37Å
165	Y	91.7	Very high	96.6	Very high	180 Å²	180	50.1 Å²	50.1	71%	0.706	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	141.5	172.7	-179.4	-86.1	0	0	0	111.2	A100	A100-Y165 HydrophobicContact CB-CD2 4.16Å
166	P	89.7	Confident	96.6	Very high	82 Å²	82	50 Å²	50	53%	0.532	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86	-14.6	0.9	32.8	-34.6	0	0	0	115
167	L	90.4	Very high	96.6	Very high	102 Å²	102	46.9 Å²	46.9	53%	0.534	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-36.4	-167.2	-59.6	177.9	0	0	0	113.2	F164 G169 Q244	F164-L167 PolarHBondContact O-N 2.92Å; F164-L167 VanDerWaalsContact O-N 3.12Å; L167-G169 PolarHBondContact O-N 3.35Å; L167-Q244 HydrophobicContact CB-CG 4.19Å; L167-Q244 HydrophobicContact CD1-CG 4.35Å
168	G	93.4	Very high	96.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	70.5	-124.2	-168.3	0	0	0	0	0	110.1	G127 G163 F164 G170 Q244	G127-G168 CarbonylContact O-C 3.46Å; G163-G168 CarbonylContact C-O 3.55Å; G163-G168 WeakPolarHBondContact CA-O 3.44Å; F164-G168 PolarHBondContact N-O 2.83Å; F164-G168 PolarHBondContact O-N 2.96Å; G168-G170 VanDerWaalsContact C-N 3.25Å; G168-G170 PolarHBondContact O-N 2.81Å; G168-Q244 WeakPolarHBondContact O-CB 3.36Å; G168-Q244 WeakPolarHBondContact O-CG 3.49Å
169	G	94.3	Very high	96.6	Very high	23 Å²	23	40.6 Å²	40.6	24%	0.237	21%	0.207	C	C	.	.			trans	77.6	7.3	178.3	0	0	0	0	0	114.7	G127 R161 L167	G127-G169 PolarHBondContact O-N 2.95Å; R161-G169 PolarHBondContact NE-O 3.27Å; R161-G169 PolarHBondContact NH2-O 3.2Å; L167-G169 PolarHBondContact O-N 3.35Å
170	G	97.8	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	152.5	170.8	0	0	0	0	0	110.5	R126 G127 R161 G168	R126-G170 WeakPolarHBondContact CA-O 3.23Å; G127-G170 PolarHBondContact N-O 2.92Å; G127-G170 VanDerWaalsContact O-CA 3.27Å; G127-G170 WeakPolarHBondContact O-CA 3.46Å; G127-G170 PolarHBondContact O-N 3.26Å; R161-G170 CarbonylContact O-C 3.51Å; R161-G170 VanDerWaalsContact O-CA 3.23Å; R161-G170 WeakPolarHBondContact O-CA 3.22Å; G168-G170 VanDerWaalsContact C-N 3.25Å; G168-G170 PolarHBondContact O-N 2.81Å
171	I	98.3	Very high	96.5	Very high	23 Å²	23	51.2 Å²	51.2	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	120.8	-178.9	-56.1	175.8	0	0	0	107.4	L124 L125 R126 V160 R161	L124-I171 HydrophobicContact CD1-CG2 3.5Å; L124-I171 HydrophobicContact CG-CG2 4.34Å; L125-I171 WeakPolarHBondContact O-CA 3.32Å; R126-I171 HydrophobicContact CG-CG1 4.42Å; V160-I171 HydrophobicContact CB-CB 4.2Å; V160-I171 HydrophobicContact CB-CG2 4.05Å; V160-I171 WeakPolarHBondContact CB-O 3.29Å; V160-I171 HydrophobicContact CG1-CG2 4.39Å; V160-I171 PolarHBondContact N-O 2.9Å; R161-I171 HydrophobicContact CB-CB 4.09Å; R161-I171 HydrophobicContact CB-CD1 4.35Å; R161-I171 HydrophobicContact CB-CG1 4.21Å; R161-I171 PolarHBondContact N-O 2.93Å; R161-I171 VanDerWaalsContact N-O 3.07Å; R161-I171 PolarHBondContact O-N 3.07Å
172	V	98.7	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.6	179.7	-178.2	0	0	0	0	108.3	V103 L125 T129 I137 V157 K158 V174	V103-V172 HydrophobicContact CG2-CG2 3.76Å; L125-V172 PolarHBondContact N-O 2.86Å; L125-V172 PolarHBondContact O-N 3.36Å; T129-V172 HydrophobicContact CG2-CG2 4.02Å; I137-V172 HydrophobicContact CD1-CG1 4.16Å; I137-V172 HydrophobicContact CD1-CG2 4.37Å; I137-V172 HydrophobicContact CG1-CG1 4.08Å; I137-V172 HydrophobicContact CG1-CG2 3.86Å; V157-V172 HydrophobicContact CG1-CG1 3.47Å; V157-V172 VanDerWaalsContact CG1-CG1 3.47Å; K158-V172 WeakPolarHBondContact O-CA 3.22Å; V172-V174 HydrophobicContact CG1-CG2 3.93Å
173	K	98.7	Very high	96.6	Very high	117 Å²	117	48.5 Å²	48.5	51%	0.509	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.8	169.8	-73.1	-177.1	177.3	-167	0	108.6	L123 L124 K158 V160	L123-K173 CarbonylContact O-C 3.54Å; L123-K173 VanDerWaalsContact O-CA 3.28Å; L123-K173 WeakPolarHBondContact O-CA 3.31Å; L124-K173 HydrophobicContact CD1-CG 3.67Å; K158-K173 HydrophobicContact CB-CB 4.39Å; K158-K173 PolarHBondContact N-O 2.96Å; K158-K173 PolarHBondContact O-N 3.37Å; V160-K173 HydrophobicContact CG2-CB 4.34Å; V160-K173 HydrophobicContact CG2-CD 3.92Å; V160-K173 HydrophobicContact CG2-CG 3.81Å
174	V	98.9	Very high	96.6	Very high	5 Å²	5	51 Å²	51	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	134.9	177	-161.9	0	0	0	0	109.8	L107 E122 L123 L125 C155 E156 V157 V172 L176	L107-V174 HydrophobicContact CD1-CB 4.44Å; L107-V174 HydrophobicContact CD1-CG1 4.05Å; L107-V174 HydrophobicContact CD1-CG2 4.05Å; L107-V174 HydrophobicContact CD2-CG2 4.33Å; E122-V174 CarbonylContact C-O 3.57Å; E122-V174 WeakPolarHBondContact CA-O 3.25Å; L123-V174 HydrophobicContact CB-CB 4.04Å; L123-V174 HydrophobicContact CB-CG2 4.38Å; L123-V174 HydrophobicContact CD1-CB 4.4Å; L123-V174 PolarHBondContact N-O 3.19Å; L123-V174 PolarHBondContact O-N 2.79Å; L125-V174 HydrophobicContact CD1-CG2 4.45Å; C155-V174 VanDerWaalsContact SG-CG1 3.5Å; E156-V174 CarbonylContact O-C 3.56Å; E156-V174 VanDerWaalsContact O-CA 3.25Å; E156-V174 WeakPolarHBondContact O-CA 3.23Å; E156-V174 VanDerWaalsContact O-CG1 3.3Å; E156-V174 WeakPolarHBondContact O-CG1 3.44Å; V157-V174 HydrophobicContact CG2-CG1 3.9Å; V157-V174 HydrophobicContact CG2-CG2 4.38Å; V172-V174 HydrophobicContact CG1-CG2 3.93Å; V174-L176 HydrophobicContact CB-CD2 4.09Å; V174-L176 HydrophobicContact CG1-CD2 3.29Å
175	L	98.8	Very high	96.8	Very high	62 Å²	62	53.3 Å²	53.3	33%	0.325	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.1	167.8	178.6	66.6	0	0	0	108.3	P120 E122 E156	P120-L175 HydrophobicContact CB-CD1 4.23Å; E122-L175 HydrophobicContact CG-CD1 4.18Å; E156-L175 HydrophobicContact CB-CB 4.31Å; E156-L175 PolarHBondContact N-O 3.28Å; E156-L175 PolarHBondContact O-N 2.86Å
176	L	98.6	Very high	97.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.3	173.2	-87.4	-65.3	0	0	0	108.4	A111 L114 P120 S121 L123 L153 C155 V174	A111-L176 HydrophobicContact CB-CD1 3.94Å; A111-L176 HydrophobicContact CB-CG 4.42Å; L114-L176 HydrophobicContact CB-CB 3.95Å; L114-L176 HydrophobicContact CB-CG 4.01Å; P120-L176 CarbonylContact C-O 3.59Å; P120-L176 VanDerWaalsContact CA-O 3.25Å; P120-L176 WeakPolarHBondContact CA-O 3.3Å; S121-L176 PolarHBondContact N-O 3.44Å; S121-L176 PolarHBondContact O-N 3.47Å; L123-L176 HydrophobicContact CD1-CD2 4.22Å; L153-L176 HydrophobicContact CD2-CD1 4.06Å; C155-L176 HydrophobicContact CB-CD1 3.77Å; V174-L176 HydrophobicContact CB-CD2 4.09Å; V174-L176 HydrophobicContact CG1-CD2 3.29Å
177	S	98.4	Very high	97.5	Very high	33 Å²	33	45.1 Å²	45.1	23%	0.231	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-87.8	145.6	172.3	-63.8	0	0	0	0	110.6	V154	V154-S177 PolarHBondContact O-N 3.48Å; V154-S177 VanDerWaalsContact O-N 3.1Å
178	P	98.1	Very high	97.9	Very high	30 Å²	30	40.9 Å²	40.9	20%	0.195	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.9	145.6	175.2	32.4	-36.7	0	0	0	109.6	A117 K180	A117-P178 WeakPolarHBondContact O-CB 3.37Å; P178-K180 PolarHBondContact O-N 3Å
179	L	98.4	Very high	98.1	Very high	2 Å²	2	44 Å²	44	1%	0.01	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-58.5	131.1	170.6	-73.6	174.4	0	0	0	109.9	A115 F116 G152 L153 E181 L183 P362 H364	A115-L179 HydrophobicContact CB-CD1 4.49Å; A115-L179 HydrophobicContact CB-CG 4.17Å; A115-L179 WeakPolarHBondContact O-CB 3.5Å; A115-L179 VanDerWaalsContact O-CG 3.29Å; A115-L179 WeakPolarHBondContact O-CG 3.47Å; A115-L179 PolarHBondContact O-N 2.92Å; F116-L179 HydrophobicContact CD1-CD1 4.37Å; F116-L179 HydrophobicContact CD2-CD1 3.78Å; F116-L179 HydrophobicContact CE1-CD1 4.12Å; F116-L179 HydrophobicContact CE2-CD1 3.58Å; F116-L179 HydrophobicContact CG-CD1 4.21Å; F116-L179 HydrophobicContact CZ-CD1 3.76Å; G152-L179 WeakPolarHBondContact O-CD2 3.5Å; L153-L179 HydrophobicContact CB-CD2 4.41Å; L179-E181 WeakPolarHBondContact CB-O 3.41Å; L179-L183 HydrophobicContact CD1-CD2 4.18Å; L179-L183 HydrophobicContact CD1-CG 3.88Å; L179-L183 HydrophobicContact CD2-CD2 3.67Å; L179-L183 HydrophobicContact CD2-CG 4.23Å; L179-P362 HydrophobicContact CB-CG 3.9Å; L179-P362 HydrophobicContact CD1-CG 3.89Å; L179-H364 PolarHBondContact O-NE2 2.95Å
180	K	97.5	Very high	98.2	Very high	190 Å²	190	48 Å²	48	83%	0.826	26%	0.256	S	S	*	.	S	Bend	trans	-86.7	-25.2	176.2	-63.1	-177.1	179.9	-179.6	0	112.5	P178 L365	P178-K180 PolarHBondContact O-N 3Å; K180-L365 WeakPolarHBondContact O-CD2 3.1Å
181	E	97.4	Very high	98.1	Very high	137 Å²	137	48.1 Å²	48.1	64%	0.64	26%	0.257	S	S	*	.	S	Bend	trans	-140.6	163.3	176	-66.5	-170.1	-172.9	0	0	107.7	L179 L365	L179-E181 WeakPolarHBondContact CB-O 3.41Å; E181-L365 VanDerWaalsContact CA-CD1 3.49Å
182	P	97.9	Very high	98.1	Very high	28 Å²	28	48.6 Å²	48.6	18%	0.182	27%	0.267	C	S	.	.	S	Bend	trans	-49.3	147.8	165.8	-25	34.8	0	0	0	111.2	S184 K312 T361	P182-S184 PolarHBondContact O-N 3.27Å; P182-K312 HydrophobicContact CB-CB 4.11Å; P182-K312 HydrophobicContact CB-CD 4.45Å; P182-T361 HydrophobicContact CG-CG2 4.03Å; P182-T361 WeakPolarHBondContact CG-OG1 3.44Å
183	L	98.5	Very high	98.1	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-50.2	128	178.2	-79.3	172.1	0	0	0	110.3	F116 M151 L153 L179 L310 A311 K312	F116-L183 HydrophobicContact CE2-CD1 3.96Å; F116-L183 HydrophobicContact CE2-CG 4.45Å; F116-L183 HydrophobicContact CZ-CD1 4.07Å; F116-L183 HydrophobicContact CZ-CG 4.41Å; M151-L183 HydrophobicContact CB-CD2 4.14Å; M151-L183 WeakPolarHBondContact O-CD2 3.25Å; L153-L183 HydrophobicContact CB-CD2 3.96Å; L179-L183 HydrophobicContact CD1-CD2 4.18Å; L179-L183 HydrophobicContact CD1-CG 3.88Å; L179-L183 HydrophobicContact CD2-CD2 3.67Å; L179-L183 HydrophobicContact CD2-CG 4.23Å; L183-L310 HydrophobicContact CD1-CB 3.9Å; L183-A311 HydrophobicContact CB-CB 4.07Å; L183-A311 CarbonylContact O-C 3.53Å; L183-A311 VanDerWaalsContact O-CA 3.26Å; L183-A311 WeakPolarHBondContact O-CA 3.35Å; L183-A311 WeakPolarHBondContact O-CB 3.45Å; L183-K312 PolarHBondContact O-N 2.85Å
184	S	98.6	Very high	98	Very high	52 Å²	52	49 Å²	49	36%	0.364	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-73.7	142.5	175.5	-68.2	0	0	0	0	110.1	M151 P182	M151-S184 VanDerWaalsContact CE-O 3.22Å; M151-S184 WeakPolarHBondContact CE-O 3.11Å; M151-S184 PolarHBondContact O-N 3.06Å; P182-S184 PolarHBondContact O-N 3.27Å
185	P	98.6	Very high	98	Very high	52 Å²	52	53.9 Å²	53.9	34%	0.338	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-67.3	154.8	172.6	30.8	-32.3	0	0	0	109.6	K312 N314 S315	P185-K312 VanDerWaalsContact CD-O 3.29Å; P185-K312 WeakPolarHBondContact CD-O 3.44Å; P185-N314 WeakPolarHBondContact CB-O 3.4Å; P185-S315 VanDerWaalsContact CA-OG 3.27Å; P185-S315 WeakPolarHBondContact CA-OG 3.45Å; P185-S315 WeakPolarHBondContact CB-OG 3.4Å
186	I	98.5	Very high	98	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.041	30%	0.298	C	S	.	.			trans	-118.1	135.5	-179.4	-156.5	176.5	0	0	0	110.9	Y147 K150 M151 L188 M308 S315 Q316 I317	Y147-I186 HydrophobicContact CD1-CD1 4.11Å; K150-I186 HydrophobicContact CB-CD1 3.92Å; K150-I186 HydrophobicContact CB-CG1 4.48Å; K150-I186 HydrophobicContact CD-CD1 4.22Å; M151-I186 HydrophobicContact CE-CB 4.35Å; M151-I186 HydrophobicContact CE-CG2 4.26Å; M151-I186 HydrophobicContact CG-CB 3.92Å; M151-I186 HydrophobicContact CG-CD1 4.08Å; M151-I186 HydrophobicContact CG-CG1 4.35Å; M151-I186 HydrophobicContact SD-CB 4.14Å; M151-I186 HydrophobicContact SD-CD1 4.49Å; M151-I186 HydrophobicContact SD-CG2 4.06Å; I186-L188 HydrophobicContact CD1-CD1 3.66Å; I186-L188 HydrophobicContact CD1-CD2 4.21Å; I186-L188 HydrophobicContact CD1-CG 3.92Å; I186-L188 HydrophobicContact CG1-CD1 4.19Å; I186-L188 HydrophobicContact CG1-CD2 4.22Å; I186-L188 HydrophobicContact CG1-CG 3.9Å; I186-M308 HydrophobicContact CG2-CG 4.2Å; I186-S315 PolarHBondContact N-OG 3.3Å; I186-S315 VanDerWaalsContact N-OG 3.14Å; I186-S315 CarbonylContact O-C 3.56Å; I186-S315 WeakPolarHBondContact O-CA 3.2Å; I186-S315 WeakPolarHBondContact O-CB 3.36Å; I186-Q316 PolarHBondContact O-N 3.27Å; I186-I317 HydrophobicContact CG2-CG2 3.98Å
187	S	98.3	Very high	98	Very high	82 Å²	82	52.8 Å²	52.8	57%	0.573	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	107.4	175.6	179.1	0	0	0	0	110	Q316	S187-Q316 CarbonylContact C-O 3.57Å; S187-Q316 WeakPolarHBondContact CA-O 3.25Å
188	L	97.9	Very high	98	Very high	13 Å²	13	53.1 Å²	53.1	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	78.3	-177.6	-58.4	175.5	0	0	0	109.5	Y147 I186 C295 L304 Q316 I317 R318	Y147-L188 HydrophobicContact CD1-CD1 3.62Å; Y147-L188 HydrophobicContact CE1-CD1 3.36Å; Y147-L188 HydrophobicContact CE1-CD2 4.24Å; Y147-L188 HydrophobicContact CE1-CG 4.45Å; I186-L188 HydrophobicContact CD1-CD1 3.66Å; I186-L188 HydrophobicContact CD1-CD2 4.21Å; I186-L188 HydrophobicContact CD1-CG 3.92Å; I186-L188 HydrophobicContact CG1-CD1 4.19Å; I186-L188 HydrophobicContact CG1-CD2 4.22Å; I186-L188 HydrophobicContact CG1-CG 3.9Å; L188-C295 VanDerWaalsContact C-SG 3.51Å; L188-C295 HydrophobicContact CB-CB 3.58Å; L188-C295 WeakPolarHBondContact O-CB 3.25Å; L188-C295 PolarHBondContact O-SG 3.17Å; L188-L304 HydrophobicContact CD1-CD1 4.24Å; L188-Q316 PolarHBondContact N-O 2.87Å; L188-I317 HydrophobicContact CB-CG2 4.2Å; L188-I317 HydrophobicContact CD1-CG2 4.11Å; L188-I317 HydrophobicContact CG-CG2 4.39Å; L188-I317 CarbonylContact O-C 3.53Å; L188-I317 WeakPolarHBondContact O-CA 3.48Å; L188-R318 PolarHBondContact O-N 3.35Å
189	L	98	Very high	98	Very high	64 Å²	64	52.2 Å²	52.2	34%	0.335	30%	0.295	S	S	.	.			trans	-104.8	-21	-175.4	-64.9	177.6	0	0	0	113.9	Q316 R318 I352	L189-Q316 HydrophobicContact CD2-CB 3.98Å; L189-Q316 HydrophobicContact CG-CB 4.48Å; L189-R318 WeakPolarHBondContact O-CD 3.43Å; L189-I352 HydrophobicContact CD2-CD1 4.16Å; L189-I352 HydrophobicContact CD2-CG1 4.28Å; L189-I352 HydrophobicContact CD2-CG2 3.95Å
190	N	96	Very high	98	Very high	107 Å²	107	53.2 Å²	53.2	57%	0.572	30%	0.299	S	S	*	.			trans	-135.4	119.2	-179.8	-176	4.8	0	0	0	110.4	G192 T258 C295	N190-G192 VanDerWaalsContact C-N 3.28Å; N190-G192 PolarHBondContact OD1-N 2.76Å; N190-T258 WeakPolarHBondContact O-CB 3.46Å; N190-T258 PolarHBondContact O-OG1 2.67Å; N190-C295 PolarHBondContact N-SG 3.06Å; N190-C295 VanDerWaalsContact N-SG 3.38Å
191	A	96.9	Very high	98	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.033	26%	0.26	C	S	.	.			trans	-77.1	-14.3	177.5	0	0	0	0	0	112.8	T256 T258 I294 C295	A191-T256 WeakPolarHBondContact O-CB 3.23Å; A191-T256 PolarHBondContact O-OG1 2.81Å; A191-T258 WeakPolarHBondContact CA-OG1 3.35Å; A191-T258 PolarHBondContact O-OG1 3.42Å; A191-I294 VanDerWaalsContact CB-O 3.3Å; A191-I294 WeakPolarHBondContact CB-O 3.37Å; A191-C295 PolarHBondContact N-SG 3.19Å
192	G	97.5	Very high	97.9	Very high	32 Å²	32	37.7 Å²	37.7	33%	0.33	23%	0.229	S	C	.	.			trans	65.9	-146.6	-175.6	0	0	0	0	0	112.4	N190	N190-G192 VanDerWaalsContact C-N 3.28Å; N190-G192 PolarHBondContact OD1-N 2.76Å
193	T	97.8	Very high	97.8	Very high	95 Å²	95	36.3 Å²	36.3	58%	0.583	22%	0.221	S	C	*	.			trans	-102.2	146	-178.9	52.1	0	0	0	0	110.7	E195 T256 S257	T193-E195 PolarHBondContact O-N 3.32Å; T193-T256 CarbonylContact O-C 3.57Å; T193-T256 WeakPolarHBondContact O-CA 3.18Å; T193-T256 WeakPolarHBondContact O-CB 3.43Å; T193-S257 PolarHBondContact N-OG 3.14Å; T193-S257 PolarHBondContact O-N 3.23Å; T193-S257 PolarHBondContact OG1-OG 3.45Å; T193-S257 VanDerWaalsContact OG1-OG 3.05Å
194	V	98.5	Very high	97.7	Very high	30 Å²	30	36.2 Å²	36.2	18%	0.182	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	120.8	173.1	-177.8	0	0	0	0	109.5	V197 F227 I254	V194-V197 HydrophobicContact CG1-CG2 4.38Å; V194-F227 HydrophobicContact CB-CD1 4.28Å; V194-F227 HydrophobicContact CB-CE1 4.43Å; V194-F227 HydrophobicContact CG1-CD1 4.12Å; V194-F227 HydrophobicContact CG1-CE1 4.32Å; V194-F227 HydrophobicContact CG2-CD1 4.29Å; V194-F227 HydrophobicContact CG2-CE1 3.95Å; V194-I254 HydrophobicContact CG1-CB 4.01Å; V194-I254 HydrophobicContact CG1-CG2 3.82Å; V194-I254 HydrophobicContact CG2-CB 4.34Å; V194-I254 HydrophobicContact CG2-CD1 4.19Å; V194-I254 HydrophobicContact CG2-CG2 4.3Å
195	E	98.6	Very high	97.4	Very high	108 Å²	108	35.3 Å²	35.3	51%	0.505	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-36.3	-179.8	-66.8	-172.7	153	0	0	112	T193 C229 P230 H255 S257	T193-E195 PolarHBondContact O-N 3.32Å; E195-C229 WeakPolarHBondContact O-CB 3.11Å; E195-P230 WeakPolarHBondContact O-CD 3.42Å; E195-H255 PolarHBondContact N-O 2.59Å; E195-S257 WeakPolarHBondContact OE1-CA 3.24Å; E195-S257 VanDerWaalsContact OE1-CB 3.28Å; E195-S257 WeakPolarHBondContact OE1-CB 3.41Å
196	T	98.6	Very high	97.1	Very high	40 Å²	40	41.7 Å²	41.7	25%	0.245	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	153.1	175.1	60.8	0	0	0	0	111.4	P230 H255	T196-P230 WeakPolarHBondContact CA-O 3.32Å; T196-P230 HydrophobicContact CG2-CB 4.31Å; T196-H255 PolarHBondContact N-O 3.04Å; T196-H255 PolarHBondContact O-N 3.4Å
197	V	98.8	Very high	96.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	129.6	162.4	-168.1	0	0	0	0	108.2	V194 L223 F227 P230 I231 N232 V253 I254 L286	V194-V197 HydrophobicContact CG1-CG2 4.38Å; V197-L223 HydrophobicContact CG1-CD1 3.99Å; V197-L223 HydrophobicContact CG1-CD2 4.09Å; V197-F227 HydrophobicContact CG2-CB 4.12Å; V197-F227 HydrophobicContact CG2-CD1 4.49Å; V197-F227 HydrophobicContact CG2-CD2 3.7Å; V197-F227 HydrophobicContact CG2-CE2 4.2Å; V197-F227 HydrophobicContact CG2-CG 3.85Å; V197-P230 PolarHBondContact N-O 3.43Å; V197-I231 HydrophobicContact CB-CG1 4.07Å; V197-I231 HydrophobicContact CB-CG2 4.39Å; V197-I231 HydrophobicContact CG2-CG1 4.1Å; V197-I231 CarbonylContact O-C 3.43Å; V197-I231 WeakPolarHBondContact O-CA 3.43Å; V197-N232 PolarHBondContact O-N 3.27Å; V197-V253 WeakPolarHBondContact CA-O 3.5Å; V197-I254 HydrophobicContact CG2-CG2 4.14Å; V197-L286 HydrophobicContact CG1-CD2 4.11Å
198	T	98.6	Very high	96.6	Very high	39 Å²	39	41.4 Å²	41.4	24%	0.239	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	167	174.9	62.4	0	0	0	0	110.1	N232 F252 V253 H255	T198-N232 CarbonylContact C-O 3.43Å; T198-N232 VanDerWaalsContact CA-O 3.25Å; T198-N232 WeakPolarHBondContact CA-O 3.45Å; T198-F252 CarbonylContact O-C 3.48Å; T198-F252 WeakPolarHBondContact O-CA 3.38Å; T198-V253 PolarHBondContact N-O 3.39Å; T198-V253 PolarHBondContact O-N 3.28Å; T198-H255 PolarHBondContact OG1-CD2 3.37Å; T198-H255 PolarHBondContact OG1-NE2 2.97Å
199	G	98	Very high	96.4	Very high	12 Å²	12	43.8 Å²	43.8	12%	0.124	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-169.1	171.7	0	0	0	0	0	113	N232 I233 D234 M251	G199-N232 PolarHBondContact N-O 3.12Å; G199-I233 WeakPolarHBondContact O-CA 3.43Å; G199-D234 PolarHBondContact O-N 2.99Å; G199-M251 CarbonylContact C-O 3.57Å; G199-M251 WeakPolarHBondContact CA-O 3.29Å
200	Y	97.4	Very high	96.2	Very high	22 Å²	22	47.4 Å²	47.4	9%	0.086	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.7	178	65.7	-97.8	0	0	0	112.3	S138 L202 D234 F236 F250 M251	S138-Y200 VanDerWaalsContact CB-OH 3.23Å; S138-Y200 WeakPolarHBondContact CB-OH 3.49Å; S138-Y200 PolarHBondContact OG-OH 3.39Å; Y200-L202 HydrophobicContact CD2-CB 3.71Å; Y200-L202 HydrophobicContact CE2-CB 3.67Å; Y200-L202 HydrophobicContact CE2-CD2 4.4Å; Y200-D234 CarbonylContact C-O 3.15Å; Y200-D234 VanDerWaalsContact CA-O 3.25Å; Y200-D234 WeakPolarHBondContact CA-O 3.47Å; Y200-F236 AromaticContact CD2-CE1 3.88Å; Y200-F236 HydrophobicContact CD2-CE1 3.88Å; Y200-F236 HydrophobicContact CD2-CZ 4.23Å; Y200-F236 AromaticContact CG-CE1 3.85Å; Y200-F236 HydrophobicContact CG-CE1 3.85Å; Y200-F236 HydrophobicContact CG-CZ 4.46Å; Y200-F250 VanDerWaalsContact O-CA 3.27Å; Y200-F250 WeakPolarHBondContact O-CA 3.42Å; Y200-F250 WeakPolarHBondContact O-CB 3.45Å; Y200-M251 HydrophobicContact CD1-CB 4.39Å; Y200-M251 HydrophobicContact CE1-CB 3.82Å; Y200-M251 HydrophobicContact CE1-CE 3.93Å; Y200-M251 HydrophobicContact CE2-CB 4.49Å; Y200-M251 PolarHBondContact N-O 3.13Å; Y200-M251 PolarHBondContact O-N 3.47Å; Y200-M251 VanDerWaalsContact O-N 3.08Å
201	F	96.6	Very high	96	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.8	157.3	-165.1	-82.6	0	0	0	109.9	V203 A212 V215 D234 S235 F236 A248 F250 I268	F201-V203 HydrophobicContact CD1-CG1 4.16Å; F201-V203 HydrophobicContact CE1-CG1 3.54Å; F201-A212 HydrophobicContact CD1-CB 3.57Å; F201-A212 HydrophobicContact CE1-CB 4.09Å; F201-V215 HydrophobicContact CD1-CB 4.27Å; F201-V215 HydrophobicContact CD2-CB 3.56Å; F201-V215 HydrophobicContact CD2-CG1 3.24Å; F201-V215 HydrophobicContact CD2-CG2 4.35Å; F201-V215 HydrophobicContact CE1-CB 4.12Å; F201-V215 HydrophobicContact CE1-CG2 4.14Å; F201-V215 HydrophobicContact CE2-CB 3.54Å; F201-V215 HydrophobicContact CE2-CG1 3.21Å; F201-V215 HydrophobicContact CE2-CG2 3.83Å; F201-V215 HydrophobicContact CG-CB 3.96Å; F201-V215 HydrophobicContact CG-CG1 4.11Å; F201-V215 HydrophobicContact CZ-CB 3.8Å; F201-V215 HydrophobicContact CZ-CG1 3.97Å; F201-V215 HydrophobicContact CZ-CG2 3.68Å; F201-D234 PolarHBondContact N-O 3.42Å; F201-S235 CarbonylContact O-C 3.53Å; F201-S235 VanDerWaalsContact O-CA 3.26Å; F201-S235 WeakPolarHBondContact O-CA 3.42Å; F201-F236 PolarHBondContact O-N 3.09Å; F201-A248 HydrophobicContact CE1-CB 4.44Å; F201-A248 HydrophobicContact CZ-CB 4.05Å; F201-F250 HydrophobicContact CD2-CB 3.69Å; F201-F250 HydrophobicContact CE2-CB 4.15Å; F201-F250 HydrophobicContact CE2-CD1 4.34Å; F201-I268 HydrophobicContact CE2-CD1 3.78Å; F201-I268 HydrophobicContact CE2-CG1 4.14Å; F201-I268 HydrophobicContact CZ-CD1 3.4Å; F201-I268 HydrophobicContact CZ-CG1 3.82Å
202	L	95.9	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	133.3	-176.2	160.9	68.1	0	0	0	109.3	F164 Y200 F236 E238 V247 A248 A249	F164-L202 HydrophobicContact CE1-CD2 4.4Å; F164-L202 HydrophobicContact CZ-CD2 4.21Å; Y200-L202 HydrophobicContact CD2-CB 3.71Å; Y200-L202 HydrophobicContact CE2-CB 3.67Å; Y200-L202 HydrophobicContact CE2-CD2 4.4Å; L202-F236 WeakPolarHBondContact CA-O 3.47Å; L202-F236 HydrophobicContact CB-CE1 4.41Å; L202-F236 HydrophobicContact CB-CE2 4.34Å; L202-F236 HydrophobicContact CB-CZ 4.05Å; L202-F236 HydrophobicContact CD1-CD2 3.85Å; L202-F236 HydrophobicContact CD1-CE2 3.36Å; L202-F236 HydrophobicContact CD1-CZ 3.92Å; L202-F236 HydrophobicContact CG-CE2 4.33Å; L202-F236 HydrophobicContact CG-CZ 4.43Å; L202-E238 HydrophobicContact CD1-CB 3.84Å; L202-V247 HydrophobicContact CD2-CG1 4.12Å; L202-V247 HydrophobicContact CG-CG1 4.04Å; L202-A248 CarbonylContact O-C 3.44Å; L202-A248 WeakPolarHBondContact O-CA 3.4Å; L202-A249 PolarHBondContact N-O 2.83Å; L202-A249 PolarHBondContact O-N 2.89Å
203	V	96.4	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.1	161	-61.7	0	0	0	0	111.1	F201 V207 A212 F236 Q237 E238 V247 A248	F201-V203 HydrophobicContact CD1-CG1 4.16Å; F201-V203 HydrophobicContact CE1-CG1 3.54Å; V203-V207 HydrophobicContact CB-CB 4.04Å; V203-V207 HydrophobicContact CB-CG1 3.83Å; V203-V207 HydrophobicContact CG1-CB 4.38Å; V203-V207 HydrophobicContact CG1-CG1 3.62Å; V203-A212 HydrophobicContact CG1-CB 3.91Å; V203-A212 HydrophobicContact CG2-CB 4.07Å; V203-F236 PolarHBondContact N-O 3.34Å; V203-Q237 HydrophobicContact CG2-CB 3.68Å; V203-Q237 HydrophobicContact CG2-CG 3.89Å; V203-Q237 CarbonylContact O-C 3.56Å; V203-Q237 VanDerWaalsContact O-CA 3.25Å; V203-Q237 WeakPolarHBondContact O-CA 3.3Å; V203-E238 PolarHBondContact O-N 2.81Å; V203-V247 CarbonylContact C-O 3.59Å; V203-V247 VanDerWaalsContact CA-O 3.25Å; V203-V247 WeakPolarHBondContact CA-O 3.48Å; V203-A248 HydrophobicContact CG1-CB 4.28Å
204	A	95.7	Very high	95.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	163.1	174.8	0	0	0	0	0	112.1	F164 K206 V207 E238 C243 D246 V247	F164-A204 HydrophobicContact CD2-CB 4.14Å; F164-A204 HydrophobicContact CE2-CB 3.33Å; F164-A204 HydrophobicContact CZ-CB 3.94Å; A204-K206 PolarHBondContact O-N 3.48Å; A204-V207 PolarHBondContact O-N 2.89Å; A204-E238 HydrophobicContact CB-CB 4.11Å; A204-C243 HydrophobicContact CB-CB 4.04Å; A204-D246 WeakPolarHBondContact O-CA 3.35Å; A204-V247 HydrophobicContact CB-CG1 3.83Å; A204-V247 PolarHBondContact N-O 2.87Å; A204-V247 PolarHBondContact O-N 3.4Å
205	G	93.2	Very high	95.1	Very high	33 Å²	33	42.8 Å²	42.8	34%	0.34	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	64	-129.6	179.2	0	0	0	0	0	112	V207 Q237 D246	G205-V207 PolarHBondContact O-N 2.78Å; G205-Q237 PolarHBondContact O-NE2 2.83Å; G205-D246 WeakPolarHBondContact CA-OD1 3.33Å
206	K	92.3	Very high	94.9	Very high	185 Å²	185	40.1 Å²	40.1	80%	0.804	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-2.1	-176.7	-62.6	175.7	-177.3	175.4	0	114	A204 P208 D246	A204-K206 PolarHBondContact O-N 3.48Å; K206-P208 WeakPolarHBondContact O-CD 3.4Å; K206-D246 PolarHBondContact N-OD1 2.83Å
207	V	93.2	Very high	94.8	Very high	10 Å²	10	43 Å²	43	6%	0.061	22%	0.222	C	C	.	.	S	Bend	trans	-79.8	121.9	179.5	-175.7	0	0	0	0	109.7	V203 A204 G205 I211 Q237 D246 V247 A248 P270	V203-V207 HydrophobicContact CB-CB 4.04Å; V203-V207 HydrophobicContact CB-CG1 3.83Å; V203-V207 HydrophobicContact CG1-CB 4.38Å; V203-V207 HydrophobicContact CG1-CG1 3.62Å; A204-V207 PolarHBondContact O-N 2.89Å; G205-V207 PolarHBondContact O-N 2.78Å; V207-I211 HydrophobicContact CG1-CB 4.33Å; V207-I211 HydrophobicContact CG1-CG1 4.43Å; V207-Q237 PolarHBondContact O-NE2 3.45Å; V207-D246 HydrophobicContact CG2-CB 4.28Å; V207-V247 WeakPolarHBondContact CG2-O 3.33Å; V207-A248 HydrophobicContact CG1-CB 4.26Å; V207-P270 HydrophobicContact CG1-CB 3.97Å; V207-P270 HydrophobicContact CG1-CG 4.38Å; V207-P270 HydrophobicContact CG2-CG 4.16Å
208	P	91.8	Very high	94.6	Very high	75 Å²	75	44.1 Å²	44.1	49%	0.487	23%	0.227	S	C	.	.			trans	-66.6	140.4	-177.2	-21.4	33.2	0	0	0	113.4	K206 K210 I211	K206-P208 WeakPolarHBondContact O-CD 3.4Å; P208-K210 PolarHBondContact O-N 3.11Å; P208-K210 VanDerWaalsContact O-N 3.09Å; P208-I211 WeakPolarHBondContact O-CB 3.43Å; P208-I211 PolarHBondContact O-N 3.32Å
209	L	94.3	Very high	94.4	Very high	63 Å²	63	42.2 Å²	42.2	33%	0.33	22%	0.215	S	C	.	.	H	α-helix	trans	-53.1	-30.2	172.3	-178.7	63.6	0	0	0	113.3	I211 A212 H213 Q237	L209-I211 PolarHBondContact O-N 3.13Å; L209-A212 HydrophobicContact CD1-CB 4.03Å; L209-A212 WeakPolarHBondContact O-CA 3.04Å; L209-A212 WeakPolarHBondContact O-CB 3.39Å; L209-A212 PolarHBondContact O-N 3.4Å; L209-H213 PolarHBondContact O-N 3.13Å; L209-Q237 HydrophobicContact CB-CB 4.27Å; L209-Q237 HydrophobicContact CD1-CB 3.87Å
210	K	93.8	Very high	94.4	Very high	139 Å²	139	44 Å²	44	60%	0.604	22%	0.222	S	C	*	.	H	α-helix	trans	-53.5	-39.8	174.9	-168.9	-170.1	-178.5	-145.5	0	112.6	P208 A212 H213 E214	P208-K210 PolarHBondContact O-N 3.11Å; P208-K210 VanDerWaalsContact O-N 3.09Å; K210-A212 PolarHBondContact O-N 3.21Å; K210-H213 PolarHBondContact O-N 3.01Å; K210-E214 WeakPolarHBondContact CE-OE1 3.43Å; K210-E214 IonicContact NZ-OE1 2.68Å; K210-E214 PolarHBondContact NZ-OE1 3.37Å; K210-E214 WeakPolarHBondContact O-CG 3.44Å; K210-E214 PolarHBondContact O-N 3.25Å
211	I	91.7	Very high	94.4	Very high	28 Å²	28	47.7 Å²	47.7	14%	0.144	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-35.6	176.5	-58.6	-59.9	0	0	0	110.3	V207 P208 L209 H213 E214 V215 P270	V207-I211 HydrophobicContact CG1-CB 4.33Å; V207-I211 HydrophobicContact CG1-CG1 4.43Å; P208-I211 WeakPolarHBondContact O-CB 3.43Å; P208-I211 PolarHBondContact O-N 3.32Å; L209-I211 PolarHBondContact O-N 3.13Å; I211-H213 PolarHBondContact O-N 3.08Å; I211-E214 PolarHBondContact O-N 3.39Å; I211-V215 HydrophobicContact CG2-CG2 4.16Å; I211-V215 WeakPolarHBondContact O-CG2 3.36Å; I211-V215 PolarHBondContact O-N 2.71Å; I211-P270 HydrophobicContact CG2-CB 4.27Å
212	A	93.5	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.7	-41.9	177.1	0	0	0	0	0	113.1	F201 V203 L209 K210 K216	F201-A212 HydrophobicContact CD1-CB 3.57Å; F201-A212 HydrophobicContact CE1-CB 4.09Å; V203-A212 HydrophobicContact CG1-CB 3.91Å; V203-A212 HydrophobicContact CG2-CB 4.07Å; L209-A212 HydrophobicContact CD1-CB 4.03Å; L209-A212 WeakPolarHBondContact O-CA 3.04Å; L209-A212 WeakPolarHBondContact O-CB 3.39Å; L209-A212 PolarHBondContact O-N 3.4Å; K210-A212 PolarHBondContact O-N 3.21Å; A212-K216 VanDerWaalsContact O-CB 3.27Å; A212-K216 WeakPolarHBondContact O-CB 3.25Å; A212-K216 PolarHBondContact O-N 2.65Å
213	H	94.5	Very high	94.6	Very high	83 Å²	83	48 Å²	48	38%	0.384	24%	0.238	S	C	.	.	H	α-helix	trans	-66.7	-47.2	175.8	-61.6	-46.8	0	0	0	111.6	L209 K210 I211 V215 K216 D217 S235	L209-H213 PolarHBondContact O-N 3.13Å; K210-H213 PolarHBondContact O-N 3.01Å; I211-H213 PolarHBondContact O-N 3.08Å; H213-V215 VanDerWaalsContact C-N 3.26Å; H213-V215 PolarHBondContact O-N 3.16Å; H213-K216 PolarHBondContact O-N 3.28Å; H213-D217 VanDerWaalsContact O-CG 3.32Å; H213-D217 PolarHBondContact O-N 3.11Å; H213-S235 PolarHBondContact CE1-OG 2.72Å; H213-S235 PolarHBondContact ND1-OG 3.4Å
214	E	92.2	Very high	94.6	Very high	61 Å²	61	51.5 Å²	51.5	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-59	-37.4	179.2	-71.7	177.4	-168.6	0	0	112.5	K210 I211 E218	K210-E214 WeakPolarHBondContact CE-OE1 3.43Å; K210-E214 IonicContact NZ-OE1 2.68Å; K210-E214 PolarHBondContact NZ-OE1 3.37Å; K210-E214 WeakPolarHBondContact O-CG 3.44Å; K210-E214 PolarHBondContact O-N 3.25Å; I211-E214 PolarHBondContact O-N 3.39Å; E214-E218 PolarHBondContact O-N 3.41Å
215	V	92	Very high	94.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-79.1	-35.8	178.6	-174.5	0	0	0	0	111.9	F201 I211 H213 D217 E218 A219 I268 Y275 V279	F201-V215 HydrophobicContact CD1-CB 4.27Å; F201-V215 HydrophobicContact CD2-CB 3.56Å; F201-V215 HydrophobicContact CD2-CG1 3.24Å; F201-V215 HydrophobicContact CD2-CG2 4.35Å; F201-V215 HydrophobicContact CE1-CB 4.12Å; F201-V215 HydrophobicContact CE1-CG2 4.14Å; F201-V215 HydrophobicContact CE2-CB 3.54Å; F201-V215 HydrophobicContact CE2-CG1 3.21Å; F201-V215 HydrophobicContact CE2-CG2 3.83Å; F201-V215 HydrophobicContact CG-CB 3.96Å; F201-V215 HydrophobicContact CG-CG1 4.11Å; F201-V215 HydrophobicContact CZ-CB 3.8Å; F201-V215 HydrophobicContact CZ-CG1 3.97Å; F201-V215 HydrophobicContact CZ-CG2 3.68Å; I211-V215 HydrophobicContact CG2-CG2 4.16Å; I211-V215 WeakPolarHBondContact O-CG2 3.36Å; I211-V215 PolarHBondContact O-N 2.71Å; H213-V215 VanDerWaalsContact C-N 3.26Å; H213-V215 PolarHBondContact O-N 3.16Å; V215-D217 VanDerWaalsContact C-N 3.31Å; V215-D217 PolarHBondContact O-N 2.72Å; V215-E218 PolarHBondContact O-N 3.29Å; V215-A219 WeakPolarHBondContact O-CB 3.49Å; V215-A219 PolarHBondContact O-N 3.17Å; V215-I268 HydrophobicContact CG2-CD1 3.73Å; V215-Y275 HydrophobicContact CB-CD2 4.42Å; V215-Y275 HydrophobicContact CG1-CD2 4.29Å; V215-Y275 HydrophobicContact CG2-CD2 3.58Å; V215-Y275 HydrophobicContact CG2-CE2 3.76Å; V215-Y275 HydrophobicContact CG2-CG 4.08Å; V215-V279 HydrophobicContact CG1-CG2 3.55Å
216	K	95.1	Very high	94.9	Very high	51 Å²	51	58.5 Å²	58.5	22%	0.222	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-44.7	171.2	168	175.4	167.1	162.1	0	111.2	A212 H213 E218 A219 L220 I233 S235	A212-K216 VanDerWaalsContact O-CB 3.27Å; A212-K216 WeakPolarHBondContact O-CB 3.25Å; A212-K216 PolarHBondContact O-N 2.65Å; H213-K216 PolarHBondContact O-N 3.28Å; K216-E218 VanDerWaalsContact C-N 3.3Å; K216-E218 PolarHBondContact O-N 3.06Å; K216-A219 WeakPolarHBondContact O-CB 3.32Å; K216-A219 PolarHBondContact O-N 3.42Å; K216-A219 VanDerWaalsContact O-N 3.17Å; K216-L220 HydrophobicContact CG-CD1 4.03Å; K216-L220 HydrophobicContact CG-CG 4.33Å; K216-L220 WeakPolarHBondContact O-CG 3.43Å; K216-L220 PolarHBondContact O-N 3.01Å; K216-I233 WeakPolarHBondContact CD-O 3.49Å; K216-I233 WeakPolarHBondContact CE-O 3.36Å; K216-I233 HydrophobicContact CG-CB 4.5Å; K216-I233 HydrophobicContact CG-CG2 4.18Å; K216-I233 PolarHBondContact NZ-O 2.94Å; K216-S235 WeakPolarHBondContact CD-OG 3.44Å
217	D	95.1	Very high	95.1	Very high	102 Å²	102	50.5 Å²	50.5	55%	0.545	25%	0.251	S	S	.	.	H	α-helix	trans	-61	-41.5	178.3	-67.9	-17.4	0	0	0	111.5	H213 V215 L220 R221	H213-D217 VanDerWaalsContact O-CG 3.32Å; H213-D217 PolarHBondContact O-N 3.11Å; V215-D217 VanDerWaalsContact C-N 3.31Å; V215-D217 PolarHBondContact O-N 2.72Å; D217-L220 PolarHBondContact O-N 3.21Å; D217-R221 WeakPolarHBondContact O-CB 3.27Å; D217-R221 PolarHBondContact O-N 2.6Å
218	E	94.3	Very high	95.3	Very high	22 Å²	22	56.4 Å²	56.4	10%	0.103	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-40.8	174.7	-178.9	64.7	177.8	0	0	112.3	E214 V215 K216 R221 C222 R276 V279	E214-E218 PolarHBondContact O-N 3.41Å; V215-E218 PolarHBondContact O-N 3.29Å; K216-E218 VanDerWaalsContact C-N 3.3Å; K216-E218 PolarHBondContact O-N 3.06Å; E218-R221 VanDerWaalsContact CD-NH2 3.31Å; E218-R221 PolarHBondContact O-N 2.91Å; E218-R221 IonicContact OE1-CZ 3.56Å; E218-R221 IonicContact OE1-NE 3.7Å; E218-R221 IonicContact OE1-NH2 3.23Å; E218-R221 PolarHBondContact OE1-NH2 3.15Å; E218-R221 IonicContact OE2-CZ 3.5Å; E218-R221 IonicContact OE2-NE 2.84Å; E218-R221 PolarHBondContact OE2-NE 3.28Å; E218-R221 IonicContact OE2-NH2 3.55Å; E218-R221 PolarHBondContact OE2-NH2 3.48Å; E218-C222 WeakPolarHBondContact O-CB 3.43Å; E218-C222 PolarHBondContact O-N 3.18Å; E218-C222 PolarHBondContact O-SG 2.88Å; E218-C222 VanDerWaalsContact O-SG 3.36Å; E218-R276 HydrophobicContact CG-CB 4.3Å; E218-R276 HydrophobicContact CG-CG 4.13Å; E218-V279 HydrophobicContact CG-CB 4.49Å; E218-V279 HydrophobicContact CG-CG1 4.19Å
219	A	96.1	Very high	95.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.9	-46.9	175.8	0	0	0	0	0	111.2	V215 K216 R221 C222 L223 F252 V279	V215-A219 WeakPolarHBondContact O-CB 3.49Å; V215-A219 PolarHBondContact O-N 3.17Å; K216-A219 WeakPolarHBondContact O-CB 3.32Å; K216-A219 PolarHBondContact O-N 3.42Å; K216-A219 VanDerWaalsContact O-N 3.17Å; A219-R221 VanDerWaalsContact C-N 3.34Å; A219-R221 PolarHBondContact O-N 3.26Å; A219-C222 PolarHBondContact O-N 3.01Å; A219-L223 VanDerWaalsContact O-CB 3.31Å; A219-L223 WeakPolarHBondContact O-CB 3.36Å; A219-L223 VanDerWaalsContact O-CG 3.25Å; A219-L223 WeakPolarHBondContact O-CG 3.48Å; A219-L223 PolarHBondContact O-N 3.15Å; A219-F252 HydrophobicContact CB-CE1 3.98Å; A219-F252 HydrophobicContact CB-CE2 4.05Å; A219-F252 HydrophobicContact CB-CZ 3.44Å; A219-F252 VanDerWaalsContact CB-CZ 3.44Å; A219-V279 HydrophobicContact CB-CG1 3.87Å
220	L	97.9	Very high	95.8	Very high	50 Å²	50	54.7 Å²	54.7	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-58.7	-45.6	175.7	-70.8	174	0	0	0	111.1	K216 D217 C222 S224 I231 I233	K216-L220 HydrophobicContact CG-CD1 4.03Å; K216-L220 HydrophobicContact CG-CG 4.33Å; K216-L220 WeakPolarHBondContact O-CG 3.43Å; K216-L220 PolarHBondContact O-N 3.01Å; D217-L220 PolarHBondContact O-N 3.21Å; L220-C222 VanDerWaalsContact C-N 3.33Å; L220-C222 PolarHBondContact O-N 3.47Å; L220-S224 VanDerWaalsContact O-CB 3.23Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.22Å; L220-S224 PolarHBondContact O-OG 3.14Å; L220-I231 HydrophobicContact CD2-CG2 3.73Å; L220-I233 HydrophobicContact CD2-CB 4.15Å; L220-I233 HydrophobicContact CD2-CG1 3.99Å
221	R	97	Very high	96	Very high	99 Å²	99	49.5 Å²	49.5	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-40	176.2	-168	-161.1	61.4	63.6	-13.9	112.8	D217 E218 A219 K225	D217-R221 WeakPolarHBondContact O-CB 3.27Å; D217-R221 PolarHBondContact O-N 2.6Å; E218-R221 VanDerWaalsContact CD-NH2 3.31Å; E218-R221 PolarHBondContact O-N 2.91Å; E218-R221 IonicContact OE1-CZ 3.56Å; E218-R221 IonicContact OE1-NE 3.7Å; E218-R221 IonicContact OE1-NH2 3.23Å; E218-R221 PolarHBondContact OE1-NH2 3.15Å; E218-R221 IonicContact OE2-CZ 3.5Å; E218-R221 IonicContact OE2-NE 2.84Å; E218-R221 PolarHBondContact OE2-NE 3.28Å; E218-R221 IonicContact OE2-NH2 3.55Å; E218-R221 PolarHBondContact OE2-NH2 3.48Å; A219-R221 VanDerWaalsContact C-N 3.34Å; A219-R221 PolarHBondContact O-N 3.26Å; R221-K225 WeakPolarHBondContact O-CG 3.26Å
222	C	97.6	Very high	96.3	Very high	7 Å²	7	52.9 Å²	52.9	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-75.1	-49.9	178.9	-72.5	0	0	0	0	111.6	E218 A219 L220 S224 K225 C226 C283	E218-C222 WeakPolarHBondContact O-CB 3.43Å; E218-C222 PolarHBondContact O-N 3.18Å; E218-C222 PolarHBondContact O-SG 2.88Å; E218-C222 VanDerWaalsContact O-SG 3.36Å; A219-C222 PolarHBondContact O-N 3.01Å; L220-C222 VanDerWaalsContact C-N 3.33Å; L220-C222 PolarHBondContact O-N 3.47Å; C222-S224 VanDerWaalsContact C-N 3.3Å; C222-S224 PolarHBondContact O-N 2.93Å; C222-K225 WeakPolarHBondContact O-CB 3.14Å; C222-K225 PolarHBondContact O-N 2.76Å; C222-K225 VanDerWaalsContact O-N 3.09Å; C222-C226 PolarHBondContact O-N 3.37Å; C222-C226 PolarHBondContact O-SG 3.3Å; C222-C283 HydrophobicContact CB-CB 3.72Å; C222-C283 VanDerWaalsContact CB-SG 3.57Å
223	L	98.2	Very high	96.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-37.8	-179.4	-69	170.9	0	0	0	112.1	V197 A219 K225 C226 F227 I231 I233 F252 C283 L286	V197-L223 HydrophobicContact CG1-CD1 3.99Å; V197-L223 HydrophobicContact CG1-CD2 4.09Å; A219-L223 VanDerWaalsContact O-CB 3.31Å; A219-L223 WeakPolarHBondContact O-CB 3.36Å; A219-L223 VanDerWaalsContact O-CG 3.25Å; A219-L223 WeakPolarHBondContact O-CG 3.48Å; A219-L223 PolarHBondContact O-N 3.15Å; L223-K225 PolarHBondContact O-N 3.14Å; L223-C226 PolarHBondContact O-N 3.43Å; L223-F227 HydrophobicContact CD2-CD2 4.11Å; L223-F227 HydrophobicContact CD2-CE2 3.98Å; L223-F227 PolarHBondContact O-N 2.99Å; L223-I231 HydrophobicContact CB-CD1 3.8Å; L223-I231 HydrophobicContact CB-CG1 4.37Å; L223-I231 HydrophobicContact CB-CG2 4.12Å; L223-I231 HydrophobicContact CD1-CG2 3.91Å; L223-I233 HydrophobicContact CD1-CD1 3.75Å; L223-I233 HydrophobicContact CD1-CG1 3.83Å; L223-F252 HydrophobicContact CD1-CG 4.46Å; L223-C283 HydrophobicContact CD2-CB 3.99Å; L223-C283 HydrophobicContact CG-CB 4.43Å; L223-L286 HydrophobicContact CD2-CD2 4.15Å
224	S	97.7	Very high	96.6	Very high	73 Å²	73	54.4 Å²	54.4	51%	0.51	29%	0.293	S	S	.	.	H	α-helix	trans	-68.5	-18.7	178.5	-53.5	0	0	0	0	113.4	L220 C222	L220-S224 VanDerWaalsContact O-CB 3.23Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.22Å; L220-S224 PolarHBondContact O-OG 3.14Å; C222-S224 VanDerWaalsContact C-N 3.3Å; C222-S224 PolarHBondContact O-N 2.93Å
225	K	97.1	Very high	96.8	Very high	160 Å²	160	52.6 Å²	52.6	70%	0.696	29%	0.287	S	S	*	.	H	α-helix	trans	-83	-27.3	171	-69.5	176	176.1	-176.1	0	112	R221 C222 L223	R221-K225 WeakPolarHBondContact O-CG 3.26Å; C222-K225 WeakPolarHBondContact O-CB 3.14Å; C222-K225 PolarHBondContact O-N 2.76Å; C222-K225 VanDerWaalsContact O-N 3.09Å; L223-K225 PolarHBondContact O-N 3.14Å
226	C	96.7	Very high	97	Very high	20 Å²	20	55.8 Å²	55.8	14%	0.135	30%	0.301	C	S	.	.	H	α-helix	trans	-87.4	-37.8	-178.4	-66.8	0	0	0	0	112.3	C222 L223 Y287	C222-C226 PolarHBondContact O-N 3.37Å; C222-C226 PolarHBondContact O-SG 3.3Å; L223-C226 PolarHBondContact O-N 3.43Å; C226-Y287 HydrophobicContact CB-CD2 3.73Å; C226-Y287 HydrophobicContact CB-CG 3.92Å; C226-Y287 WeakPolarHBondContact O-CD2 3.49Å; C226-Y287 WeakPolarHBondContact O-CE2 3.48Å
227	F	97.7	Very high	97.1	Very high	17 Å²	17	57.3 Å²	57.3	8%	0.075	31%	0.309	C	S	.	.			trans	-129.9	139.7	-169.5	-57.2	-76.3	0	0	0	111.3	V194 V197 L223 I254 L286 Y287	V194-F227 HydrophobicContact CB-CD1 4.28Å; V194-F227 HydrophobicContact CB-CE1 4.43Å; V194-F227 HydrophobicContact CG1-CD1 4.12Å; V194-F227 HydrophobicContact CG1-CE1 4.32Å; V194-F227 HydrophobicContact CG2-CD1 4.29Å; V194-F227 HydrophobicContact CG2-CE1 3.95Å; V197-F227 HydrophobicContact CG2-CB 4.12Å; V197-F227 HydrophobicContact CG2-CD1 4.49Å; V197-F227 HydrophobicContact CG2-CD2 3.7Å; V197-F227 HydrophobicContact CG2-CE2 4.2Å; V197-F227 HydrophobicContact CG2-CG 3.85Å; L223-F227 HydrophobicContact CD2-CD2 4.11Å; L223-F227 HydrophobicContact CD2-CE2 3.98Å; L223-F227 PolarHBondContact O-N 2.99Å; F227-I254 HydrophobicContact CE1-CG2 4.16Å; F227-I254 HydrophobicContact CE2-CG2 4.43Å; F227-I254 HydrophobicContact CZ-CG2 3.88Å; F227-L286 HydrophobicContact CE2-CD2 4.28Å; F227-L286 HydrophobicContact CE2-CG 4.35Å; F227-L286 HydrophobicContact CZ-CB 4.44Å; F227-L286 HydrophobicContact CZ-CG 4.16Å; F227-Y287 HydrophobicContact CE1-CD2 4.2Å; F227-Y287 HydrophobicContact CZ-CD2 4.37Å
228	S	96.6	Very high	97	Very high	134 Å²	134	53 Å²	53	94%	0.937	29%	0.286	S	S	*	.	S	Bend	trans	-96.3	-4.8	174.7	54.2	0	0	0	0	113.4
229	C	97.8	Very high	97	Very high	22 Å²	22	54.4 Å²	54.4	15%	0.149	30%	0.298	C	S	.	.	S	Bend	trans	-79.9	169.4	178.2	69.5	0	0	0	0	111.7	E195 I231	E195-C229 WeakPolarHBondContact O-CB 3.11Å; C229-I231 PolarHBondContact O-N 3.3Å
230	P	98.4	Very high	96.6	Very high	80 Å²	80	57.7 Å²	57.7	52%	0.519	33%	0.332	S	S	.	.			trans	-54.8	137.9	171.5	-25.9	35.1	0	0	0	112.8	E195 T196 V197	E195-P230 WeakPolarHBondContact O-CD 3.42Å; T196-P230 WeakPolarHBondContact CA-O 3.32Å; T196-P230 HydrophobicContact CG2-CB 4.31Å; V197-P230 PolarHBondContact N-O 3.43Å
231	I	98.6	Very high	96.3	Very high	31 Å²	31	61.4 Å²	61.4	16%	0.159	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	115.4	-179.9	-63.2	160	0	0	0	109	V197 L220 L223 C229 I233	V197-I231 HydrophobicContact CB-CG1 4.07Å; V197-I231 HydrophobicContact CB-CG2 4.39Å; V197-I231 HydrophobicContact CG2-CG1 4.1Å; V197-I231 CarbonylContact O-C 3.43Å; V197-I231 WeakPolarHBondContact O-CA 3.43Å; L220-I231 HydrophobicContact CD2-CG2 3.73Å; L223-I231 HydrophobicContact CB-CD1 3.8Å; L223-I231 HydrophobicContact CB-CG1 4.37Å; L223-I231 HydrophobicContact CB-CG2 4.12Å; L223-I231 HydrophobicContact CD1-CG2 3.91Å; C229-I231 PolarHBondContact O-N 3.3Å; I231-I233 HydrophobicContact CG2-CD1 4.3Å; I231-I233 HydrophobicContact CG2-CG1 3.84Å
232	N	98.2	Very high	96.1	Very high	99 Å²	99	62.7 Å²	62.7	53%	0.529	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	92.6	-177.1	-62.3	-38.8	0	0	0	110.2	V197 T198 G199	V197-N232 PolarHBondContact O-N 3.27Å; T198-N232 CarbonylContact C-O 3.43Å; T198-N232 VanDerWaalsContact CA-O 3.25Å; T198-N232 WeakPolarHBondContact CA-O 3.45Å; G199-N232 PolarHBondContact N-O 3.12Å
233	I	98	Very high	96	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.5	178.3	-53.6	-54.3	0	0	0	109.9	G199 K216 L220 L223 I231 F252	G199-I233 WeakPolarHBondContact O-CA 3.43Å; K216-I233 WeakPolarHBondContact CD-O 3.49Å; K216-I233 WeakPolarHBondContact CE-O 3.36Å; K216-I233 HydrophobicContact CG-CB 4.5Å; K216-I233 HydrophobicContact CG-CG2 4.18Å; K216-I233 PolarHBondContact NZ-O 2.94Å; L220-I233 HydrophobicContact CD2-CB 4.15Å; L220-I233 HydrophobicContact CD2-CG1 3.99Å; L223-I233 HydrophobicContact CD1-CD1 3.75Å; L223-I233 HydrophobicContact CD1-CG1 3.83Å; I231-I233 HydrophobicContact CG2-CD1 4.3Å; I231-I233 HydrophobicContact CG2-CG1 3.84Å; I233-F252 HydrophobicContact CD1-CD1 3.77Å; I233-F252 HydrophobicContact CD1-CE1 4.29Å; I233-F252 HydrophobicContact CG2-CD1 4.49Å; I233-F252 HydrophobicContact CG2-CE1 4.01Å
234	D	97.3	Very high	95.8	Very high	109 Å²	109	66.7 Å²	66.7	58%	0.583	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	157.7	173.5	-71.1	-38.7	0	0	0	112.1	G199 Y200 F201	G199-D234 PolarHBondContact O-N 2.99Å; Y200-D234 CarbonylContact C-O 3.15Å; Y200-D234 VanDerWaalsContact CA-O 3.25Å; Y200-D234 WeakPolarHBondContact CA-O 3.47Å; F201-D234 PolarHBondContact N-O 3.42Å
235	S	96.1	Very high	95.6	Very high	23 Å²	23	64.1 Å²	64.1	16%	0.161	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	123.7	171.1	57.9	0	0	0	0	108.7	F201 H213 K216	F201-S235 CarbonylContact O-C 3.53Å; F201-S235 VanDerWaalsContact O-CA 3.26Å; F201-S235 WeakPolarHBondContact O-CA 3.42Å; H213-S235 PolarHBondContact CE1-OG 2.72Å; H213-S235 PolarHBondContact ND1-OG 3.4Å; K216-S235 WeakPolarHBondContact CD-OG 3.44Å
236	F	96.2	Very high	95.4	Very high	68 Å²	68	60.2 Å²	60.2	30%	0.298	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.8	-177.4	65.2	-86.3	0	0	0	112.6	Y200 F201 L202 V203	Y200-F236 AromaticContact CD2-CE1 3.88Å; Y200-F236 HydrophobicContact CD2-CE1 3.88Å; Y200-F236 HydrophobicContact CD2-CZ 4.23Å; Y200-F236 AromaticContact CG-CE1 3.85Å; Y200-F236 HydrophobicContact CG-CE1 3.85Å; Y200-F236 HydrophobicContact CG-CZ 4.46Å; F201-F236 PolarHBondContact O-N 3.09Å; L202-F236 WeakPolarHBondContact CA-O 3.47Å; L202-F236 HydrophobicContact CB-CE1 4.41Å; L202-F236 HydrophobicContact CB-CE2 4.34Å; L202-F236 HydrophobicContact CB-CZ 4.05Å; L202-F236 HydrophobicContact CD1-CD2 3.85Å; L202-F236 HydrophobicContact CD1-CE2 3.36Å; L202-F236 HydrophobicContact CD1-CZ 3.92Å; L202-F236 HydrophobicContact CG-CE2 4.33Å; L202-F236 HydrophobicContact CG-CZ 4.43Å; V203-F236 PolarHBondContact N-O 3.34Å
237	Q	96	Very high	95.3	Very high	83 Å²	83	59.7 Å²	59.7	39%	0.388	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.8	169.6	-178.4	165.3	11.2	0	0	108.4	V203 G205 V207 L209 S239	V203-Q237 HydrophobicContact CG2-CB 3.68Å; V203-Q237 HydrophobicContact CG2-CG 3.89Å; V203-Q237 CarbonylContact O-C 3.56Å; V203-Q237 VanDerWaalsContact O-CA 3.25Å; V203-Q237 WeakPolarHBondContact O-CA 3.3Å; G205-Q237 PolarHBondContact O-NE2 2.83Å; V207-Q237 PolarHBondContact O-NE2 3.45Å; L209-Q237 HydrophobicContact CB-CB 4.27Å; L209-Q237 HydrophobicContact CD1-CB 3.87Å; Q237-S239 PolarHBondContact O-N 2.94Å
238	E	94.8	Very high	95.1	Very high	12 Å²	12	59 Å²	59	6%	0.056	34%	0.341	C	S	.	.			trans	-66.4	133	174.5	-165.2	68.4	-101.6	0	0	109.4	R162 L202 V203 A204 R242 C243	R162-E238 VanDerWaalsContact CD-OE2 3.26Å; R162-E238 WeakPolarHBondContact CD-OE2 3.46Å; R162-E238 HydrophobicContact CG-CG 4.44Å; R162-E238 IonicContact NE-OE2 3.5Å; R162-E238 PolarHBondContact NE-OE2 2.94Å; L202-E238 HydrophobicContact CD1-CB 3.84Å; V203-E238 PolarHBondContact O-N 2.81Å; A204-E238 HydrophobicContact CB-CB 4.11Å; E238-R242 HydrophobicContact CG-CB 4.03Å; E238-R242 WeakPolarHBondContact CG-O 3.15Å; E238-R242 IonicContact OE1-CZ 3.13Å; E238-R242 IonicContact OE1-NE 3.11Å; E238-R242 PolarHBondContact OE1-NE 3.07Å; E238-R242 IonicContact OE1-NH2 3.13Å; E238-R242 PolarHBondContact OE1-NH2 3.39Å; E238-C243 HydrophobicContact CB-CB 4.14Å; E238-C243 HydrophobicContact CG-CB 3.83Å
239	S	92.2	Very high	95.1	Very high	50 Å²	50	52.7 Å²	52.7	35%	0.35	30%	0.297	S	S	.	.			trans	-65.4	152.4	-178.5	62.9	0	0	0	0	111.4	Q237 D241 R242 C243	Q237-S239 PolarHBondContact O-N 2.94Å; S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 WeakPolarHBondContact CB-OD1 3.24Å; S239-D241 PolarHBondContact O-N 2.86Å; S239-D241 PolarHBondContact OG-OD1 3.5Å; S239-R242 CarbonylContact O-C 3.58Å; S239-R242 WeakPolarHBondContact O-CA 3.41Å; S239-R242 PolarHBondContact O-N 3.13Å; S239-R242 WeakPolarHBondContact OG-CB 3.15Å; S239-R242 WeakPolarHBondContact OG-CG 3.18Å; S239-C243 PolarHBondContact O-N 3.36Å; S239-C243 VanDerWaalsContact O-N 3.15Å; S239-C243 PolarHBondContact O-SG 2.77Å
240	G	88.6	Confident	95.1	Very high	69 Å²	69	51.9 Å²	51.9	71%	0.711	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-62	-30.9	-174.1	0	0	0	0	0	114.3	R242	G240-R242 VanDerWaalsContact C-N 3.28Å
241	D	91	Very high	95	Very high	128 Å²	128	48.2 Å²	48.2	68%	0.684	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-74.1	-18.6	173.8	64.9	-44	0	0	0	113.1	S239	S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 WeakPolarHBondContact CB-OD1 3.24Å; S239-D241 PolarHBondContact O-N 2.86Å; S239-D241 PolarHBondContact OG-OD1 3.5Å
242	R	94.2	Very high	95	Very high	126 Å²	126	46.8 Å²	46.8	48%	0.475	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-109.9	11.2	-179.3	-59.6	-154.4	-43	-175.7	4.6	114.6	R161 R162 E238 S239 G240	R161-R242 CarbonylContact C-O 3.23Å; R161-R242 WeakPolarHBondContact CA-O 3.31Å; R161-R242 WeakPolarHBondContact CG-O 3.41Å; R162-R242 PolarHBondContact N-O 2.8Å; E238-R242 HydrophobicContact CG-CB 4.03Å; E238-R242 WeakPolarHBondContact CG-O 3.15Å; E238-R242 IonicContact OE1-CZ 3.13Å; E238-R242 IonicContact OE1-NE 3.11Å; E238-R242 PolarHBondContact OE1-NE 3.07Å; E238-R242 IonicContact OE1-NH2 3.13Å; E238-R242 PolarHBondContact OE1-NH2 3.39Å; S239-R242 CarbonylContact O-C 3.58Å; S239-R242 WeakPolarHBondContact O-CA 3.41Å; S239-R242 PolarHBondContact O-N 3.13Å; S239-R242 WeakPolarHBondContact OG-CB 3.15Å; S239-R242 WeakPolarHBondContact OG-CG 3.18Å; G240-R242 VanDerWaalsContact C-N 3.28Å
243	C	94.8	Very high	95	Very high	12 Å²	12	42.2 Å²	42.2	8%	0.081	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	161.1	170.7	64.2	0	0	0	0	114.1	R162 F164 A204 E238 S239	R162-C243 CarbonylContact O-C 3.57Å; R162-C243 VanDerWaalsContact O-CA 3.25Å; R162-C243 WeakPolarHBondContact O-CA 3.47Å; F164-C243 HydrophobicContact CE2-CB 3.92Å; A204-C243 HydrophobicContact CB-CB 4.04Å; E238-C243 HydrophobicContact CB-CB 4.14Å; E238-C243 HydrophobicContact CG-CB 3.83Å; S239-C243 PolarHBondContact O-N 3.36Å; S239-C243 VanDerWaalsContact O-N 3.15Å; S239-C243 PolarHBondContact O-SG 2.77Å
244	Q	93.8	Very high	95.1	Very high	80 Å²	80	42 Å²	42	37%	0.374	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	121.2	167.2	-178.9	70.7	53.8	0	0	109.4	R162 F164 L167 G168	R162-Q244 PolarHBondContact O-N 3.03Å; F164-Q244 WeakPolarHBondContact CD2-O 3.36Å; F164-Q244 PolarHBondContact N-O 3Å; L167-Q244 HydrophobicContact CB-CG 4.19Å; L167-Q244 HydrophobicContact CD1-CG 4.35Å; G168-Q244 WeakPolarHBondContact O-CB 3.36Å; G168-Q244 WeakPolarHBondContact O-CG 3.49Å
245	G	92.9	Very high	95.1	Very high	18 Å²	18	38.4 Å²	38.4	19%	0.186	21%	0.214	C	C	.	.	S	Bend	trans	92.3	-178.5	-175.7	0	0	0	0	0	113.4
246	D	92.8	Very high	95.3	Very high	78 Å²	78	37.7 Å²	37.7	42%	0.417	21%	0.208	S	C	.	.			trans	-107.3	138.3	-176.9	-56.1	-42.9	0	0	0	109.6	A204 G205 K206 V207	A204-D246 WeakPolarHBondContact O-CA 3.35Å; G205-D246 WeakPolarHBondContact CA-OD1 3.33Å; K206-D246 PolarHBondContact N-OD1 2.83Å; V207-D246 HydrophobicContact CG2-CB 4.28Å
247	V	94.6	Very high	95.4	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	155.2	174.3	88.1	0	0	0	0	112	F164 L202 V203 A204 V207 A249 I267	F164-V247 HydrophobicContact CB-CB 4.3Å; F164-V247 HydrophobicContact CD1-CB 3.6Å; F164-V247 HydrophobicContact CD1-CG1 3.92Å; F164-V247 HydrophobicContact CD1-CG2 3.67Å; F164-V247 HydrophobicContact CD2-CB 3.86Å; F164-V247 HydrophobicContact CD2-CG1 4.13Å; F164-V247 HydrophobicContact CE1-CB 3.75Å; F164-V247 HydrophobicContact CE1-CG1 3.49Å; F164-V247 VanDerWaalsContact CE1-CG1 3.49Å; F164-V247 HydrophobicContact CE1-CG2 3.96Å; F164-V247 HydrophobicContact CE2-CB 4.01Å; F164-V247 HydrophobicContact CE2-CG1 3.73Å; F164-V247 HydrophobicContact CG-CB 3.64Å; F164-V247 HydrophobicContact CG-CG1 4.21Å; F164-V247 HydrophobicContact CG-CG2 4.1Å; F164-V247 HydrophobicContact CZ-CB 3.94Å; F164-V247 HydrophobicContact CZ-CG1 3.37Å; L202-V247 HydrophobicContact CD2-CG1 4.12Å; L202-V247 HydrophobicContact CG-CG1 4.04Å; V203-V247 CarbonylContact C-O 3.59Å; V203-V247 VanDerWaalsContact CA-O 3.25Å; V203-V247 WeakPolarHBondContact CA-O 3.48Å; A204-V247 HydrophobicContact CB-CG1 3.83Å; A204-V247 PolarHBondContact N-O 2.87Å; A204-V247 PolarHBondContact O-N 3.4Å; V207-V247 WeakPolarHBondContact CG2-O 3.33Å; V247-A249 HydrophobicContact CG2-CB 4.08Å; V247-I267 HydrophobicContact CG2-CG2 4.15Å
248	A	95.1	Very high	95.5	Very high	2 Å²	2	35.9 Å²	35.9	2%	0.017	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	113.2	159.2	0	0	0	0	0	106.6	F201 L202 V203 V207 I267 I268 P270	F201-A248 HydrophobicContact CE1-CB 4.44Å; F201-A248 HydrophobicContact CZ-CB 4.05Å; L202-A248 CarbonylContact O-C 3.44Å; L202-A248 WeakPolarHBondContact O-CA 3.4Å; V203-A248 HydrophobicContact CG1-CB 4.28Å; V207-A248 HydrophobicContact CG1-CB 4.26Å; A248-I267 CarbonylContact O-C 3.59Å; A248-I267 WeakPolarHBondContact O-CA 3.41Å; A248-I268 HydrophobicContact CB-CD1 4.03Å; A248-I268 HydrophobicContact CB-CG1 3.45Å; A248-I268 VanDerWaalsContact CB-CG1 3.45Å; A248-I268 WeakPolarHBondContact O-CG1 3.38Å; A248-I268 PolarHBondContact O-N 2.87Å; A248-P270 HydrophobicContact CB-CB 4.25Å
249	A	95.9	Very high	95.6	Very high	3 Å²	3	39.1 Å²	39.1	3%	0.025	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	156.1	-171.7	0	0	0	0	0	111.4	L202 V247 G266 I267	L202-A249 PolarHBondContact N-O 2.83Å; L202-A249 PolarHBondContact O-N 2.89Å; V247-A249 HydrophobicContact CG2-CB 4.08Å; A249-G266 CarbonylContact C-O 3.06Å; A249-G266 WeakPolarHBondContact CA-O 3.37Å; A249-G266 WeakPolarHBondContact CB-O 3.5Å; A249-I267 HydrophobicContact CB-CG1 4.24Å
250	F	96.6	Very high	95.9	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156.9	175.6	66.4	-94.9	0	0	0	111.5	Y200 F201 F252 S265 G266 I268 M278 V279 A282	Y200-F250 VanDerWaalsContact O-CA 3.27Å; Y200-F250 WeakPolarHBondContact O-CA 3.42Å; Y200-F250 WeakPolarHBondContact O-CB 3.45Å; F201-F250 HydrophobicContact CD2-CB 3.69Å; F201-F250 HydrophobicContact CE2-CB 4.15Å; F201-F250 HydrophobicContact CE2-CD1 4.34Å; F250-F252 HydrophobicContact CB-CE1 4.02Å; F250-F252 HydrophobicContact CB-CE2 4.47Å; F250-F252 HydrophobicContact CB-CZ 3.81Å; F250-F252 AromaticContact CD2-CD2 3.88Å; F250-F252 HydrophobicContact CD2-CD2 3.88Å; F250-F252 HydrophobicContact CD2-CE1 4.3Å; F250-F252 AromaticContact CD2-CE2 3.47Å; F250-F252 HydrophobicContact CD2-CE2 3.47Å; F250-F252 VanDerWaalsContact CD2-CE2 3.47Å; F250-F252 HydrophobicContact CD2-CG 4.45Å; F250-F252 AromaticContact CD2-CZ 3.7Å; F250-F252 HydrophobicContact CD2-CZ 3.7Å; F250-F252 HydrophobicContact CE2-CD2 4.24Å; F250-F252 AromaticContact CE2-CE2 3.92Å; F250-F252 HydrophobicContact CE2-CE2 3.92Å; F250-F252 HydrophobicContact CG-CE2 4.1Å; F250-F252 AromaticContact CG-CZ 3.9Å; F250-F252 HydrophobicContact CG-CZ 3.9Å; F250-S265 WeakPolarHBondContact O-CA 3.49Å; F250-S265 VanDerWaalsContact O-CB 3.28Å; F250-S265 WeakPolarHBondContact O-CB 3.19Å; F250-G266 PolarHBondContact N-O 2.96Å; F250-G266 PolarHBondContact O-N 2.77Å; F250-I268 HydrophobicContact CD1-CG2 3.95Å; F250-I268 HydrophobicContact CE1-CG2 3.8Å; F250-M278 HydrophobicContact CE1-CG 4.07Å; F250-M278 HydrophobicContact CE1-SD 4.1Å; F250-M278 HydrophobicContact CZ-CG 4.19Å; F250-V279 HydrophobicContact CD1-CG2 4.2Å; F250-V279 HydrophobicContact CE1-CG2 4.06Å; F250-A282 HydrophobicContact CE2-CB 3.48Å; F250-A282 VanDerWaalsContact CE2-CB 3.48Å; F250-A282 HydrophobicContact CZ-CB 3.65Å
251	M	98	Very high	96.4	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.02	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	129.6	166.1	-173.6	178.2	84.2	0	0	108.4	P136 Y139 E142 G199 Y200 V253 A263 V264	P136-M251 HydrophobicContact CG-SD 4.19Å; Y139-M251 PolarHBondContact N-SD 2.87Å; E142-M251 HydrophobicContact CB-CE 4.11Å; E142-M251 HydrophobicContact CG-CE 3.87Å; G199-M251 CarbonylContact C-O 3.57Å; G199-M251 WeakPolarHBondContact CA-O 3.29Å; Y200-M251 HydrophobicContact CD1-CB 4.39Å; Y200-M251 HydrophobicContact CE1-CB 3.82Å; Y200-M251 HydrophobicContact CE1-CE 3.93Å; Y200-M251 HydrophobicContact CE2-CB 4.49Å; Y200-M251 PolarHBondContact N-O 3.13Å; Y200-M251 PolarHBondContact O-N 3.47Å; Y200-M251 VanDerWaalsContact O-N 3.08Å; M251-V253 HydrophobicContact CE-CG2 3.89Å; M251-V253 HydrophobicContact CG-CG2 4.32Å; M251-A263 HydrophobicContact CG-CB 4.49Å; M251-V264 CarbonylContact C-O 3.48Å; M251-V264 VanDerWaalsContact CA-O 3.31Å; M251-V264 WeakPolarHBondContact CA-O 3.22Å
252	F	98.4	Very high	96.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.2	174.4	-47.2	-44.6	0	0	0	108.8	T198 A219 L223 I233 F250 A263 V264 V279 L286	T198-F252 CarbonylContact O-C 3.48Å; T198-F252 WeakPolarHBondContact O-CA 3.38Å; A219-F252 HydrophobicContact CB-CE1 3.98Å; A219-F252 HydrophobicContact CB-CE2 4.05Å; A219-F252 HydrophobicContact CB-CZ 3.44Å; A219-F252 VanDerWaalsContact CB-CZ 3.44Å; L223-F252 HydrophobicContact CD1-CG 4.46Å; I233-F252 HydrophobicContact CD1-CD1 3.77Å; I233-F252 HydrophobicContact CD1-CE1 4.29Å; I233-F252 HydrophobicContact CG2-CD1 4.49Å; I233-F252 HydrophobicContact CG2-CE1 4.01Å; F250-F252 HydrophobicContact CB-CE1 4.02Å; F250-F252 HydrophobicContact CB-CE2 4.47Å; F250-F252 HydrophobicContact CB-CZ 3.81Å; F250-F252 AromaticContact CD2-CD2 3.88Å; F250-F252 HydrophobicContact CD2-CD2 3.88Å; F250-F252 HydrophobicContact CD2-CE1 4.3Å; F250-F252 AromaticContact CD2-CE2 3.47Å; F250-F252 HydrophobicContact CD2-CE2 3.47Å; F250-F252 VanDerWaalsContact CD2-CE2 3.47Å; F250-F252 HydrophobicContact CD2-CG 4.45Å; F250-F252 AromaticContact CD2-CZ 3.7Å; F250-F252 HydrophobicContact CD2-CZ 3.7Å; F250-F252 HydrophobicContact CE2-CD2 4.24Å; F250-F252 AromaticContact CE2-CE2 3.92Å; F250-F252 HydrophobicContact CE2-CE2 3.92Å; F250-F252 HydrophobicContact CG-CE2 4.1Å; F250-F252 AromaticContact CG-CZ 3.9Å; F250-F252 HydrophobicContact CG-CZ 3.9Å; F252-A263 CarbonylContact O-C 3.54Å; F252-A263 WeakPolarHBondContact O-CA 3.31Å; F252-A263 WeakPolarHBondContact O-CB 3.44Å; F252-V264 HydrophobicContact CB-CG2 3.96Å; F252-V264 HydrophobicContact CD2-CG2 4Å; F252-V264 HydrophobicContact CG-CG2 4.44Å; F252-V264 PolarHBondContact N-O 3.3Å; F252-V264 PolarHBondContact O-N 3.41Å; F252-V279 HydrophobicContact CE2-CG1 4.29Å; F252-L286 HydrophobicContact CB-CD2 4.05Å
253	V	98.7	Very high	96.9	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.018	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	127.3	-173.4	-168.8	0	0	0	0	109.2	V143 V197 T198 M251 R261 L262 A263	V143-V253 HydrophobicContact CG2-CG1 4.39Å; V197-V253 WeakPolarHBondContact CA-O 3.5Å; T198-V253 PolarHBondContact N-O 3.39Å; T198-V253 PolarHBondContact O-N 3.28Å; M251-V253 HydrophobicContact CE-CG2 3.89Å; M251-V253 HydrophobicContact CG-CG2 4.32Å; V253-R261 HydrophobicContact CG1-CB 4.17Å; V253-L262 CarbonylContact C-O 3.58Å; V253-L262 VanDerWaalsContact CA-O 3.31Å; V253-L262 WeakPolarHBondContact CA-O 3.29Å; V253-A263 HydrophobicContact CB-CB 4.44Å; V253-A263 HydrophobicContact CG1-CB 4.42Å; V253-A263 HydrophobicContact CG2-CB 3.9Å
254	I	98.6	Very high	97.1	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.4	164.8	53.6	176.4	0	0	0	109.9	V194 V197 F227 R261 L262 L286	V194-I254 HydrophobicContact CG1-CB 4.01Å; V194-I254 HydrophobicContact CG1-CG2 3.82Å; V194-I254 HydrophobicContact CG2-CB 4.34Å; V194-I254 HydrophobicContact CG2-CD1 4.19Å; V194-I254 HydrophobicContact CG2-CG2 4.3Å; V197-I254 HydrophobicContact CG2-CG2 4.14Å; F227-I254 HydrophobicContact CE1-CG2 4.16Å; F227-I254 HydrophobicContact CE2-CG2 4.43Å; F227-I254 HydrophobicContact CZ-CG2 3.88Å; I254-R261 WeakPolarHBondContact O-CA 3.3Å; I254-L262 HydrophobicContact CD1-CB 3.95Å; I254-L262 HydrophobicContact CD1-CD1 3.83Å; I254-L262 HydrophobicContact CD1-CG 4.42Å; I254-L262 HydrophobicContact CG1-CB 3.72Å; I254-L262 HydrophobicContact CG1-CD1 4.02Å; I254-L262 HydrophobicContact CG1-CG 4.48Å; I254-L262 WeakPolarHBondContact CG1-O 3.48Å; I254-L262 PolarHBondContact N-O 2.89Å; I254-L262 PolarHBondContact O-N 3.44Å; I254-L286 HydrophobicContact CB-CD1 4.37Å; I254-L286 HydrophobicContact CD1-CD1 4.25Å; I254-L286 HydrophobicContact CG1-CD1 3.87Å; I254-L286 HydrophobicContact CG1-CG 4.44Å; I254-L286 HydrophobicContact CG2-CD1 3.91Å; I254-L286 HydrophobicContact CG2-CD2 3.74Å; I254-L286 HydrophobicContact CG2-CG 3.59Å
255	H	98.6	Very high	97.2	Very high	34 Å²	34	22.2 Å²	22.2	16%	0.157	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133.5	168.8	-57.3	-96.5	0	0	0	108.2	E195 T196 T198	E195-H255 PolarHBondContact N-O 2.59Å; T196-H255 PolarHBondContact N-O 3.04Å; T196-H255 PolarHBondContact O-N 3.4Å; T198-H255 PolarHBondContact OG1-CD2 3.37Å; T198-H255 PolarHBondContact OG1-NE2 2.97Å
256	T	98.6	Very high	97.3	Very high	7 Å²	7	22.1 Å²	22.1	4%	0.043	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	162.8	-172.4	78.9	0	0	0	0	113.2	A191 T193 T258 D259 C260	A191-T256 WeakPolarHBondContact O-CB 3.23Å; A191-T256 PolarHBondContact O-OG1 2.81Å; T193-T256 CarbonylContact O-C 3.57Å; T193-T256 WeakPolarHBondContact O-CA 3.18Å; T193-T256 WeakPolarHBondContact O-CB 3.43Å; T256-T258 PolarHBondContact O-N 3.16Å; T256-T258 VanDerWaalsContact O-N 3.14Å; T256-T258 PolarHBondContact OG1-OG1 2.82Å; T256-D259 WeakPolarHBondContact O-CA 3.32Å; T256-D259 PolarHBondContact O-N 3.01Å; T256-C260 HydrophobicContact CG2-CB 4.22Å; T256-C260 PolarHBondContact N-O 2.84Å; T256-C260 VanDerWaalsContact N-O 3.15Å; T256-C260 WeakPolarHBondContact OG1-CB 3.25Å; T256-C260 PolarHBondContact OG1-N 2.87Å; T256-C260 VanDerWaalsContact OG1-N 3.1Å
257	S	98.4	Very high	97.4	Very high	56 Å²	56	21.2 Å²	21.2	39%	0.392	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.7	179.8	56.4	0	0	0	0	114.7	T193 E195	T193-S257 PolarHBondContact N-OG 3.14Å; T193-S257 PolarHBondContact O-N 3.23Å; T193-S257 PolarHBondContact OG1-OG 3.45Å; T193-S257 VanDerWaalsContact OG1-OG 3.05Å; E195-S257 WeakPolarHBondContact OE1-CA 3.24Å; E195-S257 VanDerWaalsContact OE1-CB 3.28Å; E195-S257 WeakPolarHBondContact OE1-CB 3.41Å
258	T	98.1	Very high	97.2	Very high	58 Å²	58	21.2 Å²	21.2	36%	0.356	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	17.3	170.8	64.4	0	0	0	0	112.6	N190 A191 T256 C260	N190-T258 WeakPolarHBondContact O-CB 3.46Å; N190-T258 PolarHBondContact O-OG1 2.67Å; A191-T258 WeakPolarHBondContact CA-OG1 3.35Å; A191-T258 PolarHBondContact O-OG1 3.42Å; T256-T258 PolarHBondContact O-N 3.16Å; T256-T258 VanDerWaalsContact O-N 3.14Å; T256-T258 PolarHBondContact OG1-OG1 2.82Å; T258-C260 VanDerWaalsContact C-N 3.27Å; T258-C260 PolarHBondContact O-N 2.61Å
259	D	97.6	Very high	96.7	Very high	79 Å²	79	25.8 Å²	25.8	42%	0.422	15%	0.147	S	C	.	.			trans	59.5	36.7	177.3	-170.4	41.4	0	0	0	112.6	H146 K150 T256	H146-D259 VanDerWaalsContact CE1-CG 3.45Å; H146-D259 IonicContact CE1-OD1 3.36Å; H146-D259 PolarHBondContact CE1-OD1 3.28Å; H146-D259 IonicContact CE1-OD2 2.94Å; H146-D259 PolarHBondContact CE1-OD2 2.92Å; H146-D259 VanDerWaalsContact CE1-OD2 3.23Å; H146-D259 PolarHBondContact NE2-O 3.01Å; H146-D259 IonicContact NE2-OD1 3.18Å; H146-D259 IonicContact NE2-OD2 2.91Å; K150-D259 WeakPolarHBondContact CE-O 3.31Å; K150-D259 VanDerWaalsContact CE-OD2 3.3Å; K150-D259 WeakPolarHBondContact CE-OD2 3.39Å; K150-D259 PolarHBondContact NZ-O 3.02Å; K150-D259 IonicContact NZ-OD2 3.57Å; K150-D259 PolarHBondContact NZ-OD2 3.09Å; T256-D259 WeakPolarHBondContact O-CA 3.32Å; T256-D259 PolarHBondContact O-N 3.01Å
260	C	98.5	Very high	95.7	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	16%	0.159	C	C	.	.			trans	-87.4	147.1	165.8	-63	0	0	0	0	110	Y147 T256 T258 L262	Y147-C260 WeakPolarHBondContact OH-CA 3.22Å; T256-C260 HydrophobicContact CG2-CB 4.22Å; T256-C260 PolarHBondContact N-O 2.84Å; T256-C260 VanDerWaalsContact N-O 3.15Å; T256-C260 WeakPolarHBondContact OG1-CB 3.25Å; T256-C260 PolarHBondContact OG1-N 2.87Å; T256-C260 VanDerWaalsContact OG1-N 3.1Å; T258-C260 VanDerWaalsContact C-N 3.27Å; T258-C260 PolarHBondContact O-N 2.61Å; C260-L262 HydrophobicContact CB-CD1 4.07Å
261	R	98.5	Very high	94.8	Very high	56 Å²	56	37.7 Å²	37.7	21%	0.211	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.8	173.4	-64.5	-175.9	-174.2	-163.5	-5.5	109.1	E142 V143 H146 Y147 V253 I254	E142-R261 WeakPolarHBondContact O-CD 3.4Å; E142-R261 PolarHBondContact O-NH1 3.29Å; E142-R261 IonicContact OE2-NH1 3.79Å; V143-R261 HydrophobicContact CG1-CB 4.44Å; H146-R261 PolarHBondContact ND1-NE 3.13Å; Y147-R261 HydrophobicContact CE2-CB 4.39Å; Y147-R261 VanDerWaalsContact CE2-O 3.24Å; Y147-R261 WeakPolarHBondContact CE2-O 3.48Å; Y147-R261 PolarHBondContact OH-N 3.31Å; Y147-R261 PolarHBondContact OH-O 3.28Å; V253-R261 HydrophobicContact CG1-CB 4.17Å; I254-R261 WeakPolarHBondContact O-CA 3.3Å
262	L	98.6	Very high	93.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	137.1	174.8	-59.1	95.1	0	0	0	108.8	V253 I254 C260 L286 Y289 I294 D297	V253-L262 CarbonylContact C-O 3.58Å; V253-L262 VanDerWaalsContact CA-O 3.31Å; V253-L262 WeakPolarHBondContact CA-O 3.29Å; I254-L262 HydrophobicContact CD1-CB 3.95Å; I254-L262 HydrophobicContact CD1-CD1 3.83Å; I254-L262 HydrophobicContact CD1-CG 4.42Å; I254-L262 HydrophobicContact CG1-CB 3.72Å; I254-L262 HydrophobicContact CG1-CD1 4.02Å; I254-L262 HydrophobicContact CG1-CG 4.48Å; I254-L262 WeakPolarHBondContact CG1-O 3.48Å; I254-L262 PolarHBondContact N-O 2.89Å; I254-L262 PolarHBondContact O-N 3.44Å; C260-L262 HydrophobicContact CB-CD1 4.07Å; L262-L286 WeakPolarHBondContact O-CD1 3.35Å; L262-Y289 HydrophobicContact CB-CD2 4.2Å; L262-Y289 HydrophobicContact CD2-CD2 4.26Å; L262-Y289 HydrophobicContact CD2-CG 4.32Å; L262-I294 HydrophobicContact CD2-CD1 3.93Å; L262-I294 HydrophobicContact CD2-CG1 3.65Å; L262-I294 WeakPolarHBondContact CD2-O 3.25Å; L262-D297 HydrophobicContact CB-CB 4.4Å; L262-D297 HydrophobicContact CD2-CB 4.47Å
263	A	98.5	Very high	92.6	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.5	-174.9	0	0	0	0	0	113.2	Y139 V143 M251 F252 V253 D297	Y139-A263 HydrophobicContact CD2-CB 3.87Å; Y139-A263 HydrophobicContact CE2-CB 3.82Å; V143-A263 HydrophobicContact CG2-CB 3.85Å; M251-A263 HydrophobicContact CG-CB 4.49Å; F252-A263 CarbonylContact O-C 3.54Å; F252-A263 WeakPolarHBondContact O-CA 3.31Å; F252-A263 WeakPolarHBondContact O-CB 3.44Å; V253-A263 HydrophobicContact CB-CB 4.44Å; V253-A263 HydrophobicContact CG1-CB 4.42Å; V253-A263 HydrophobicContact CG2-CB 3.9Å; A263-D297 PolarHBondContact N-OD2 3.5Å
264	V	97.7	Very high	91.9	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.085	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.5	165.9	-67.5	0	0	0	0	107.8	M251 F252 A282 L286 Y289	M251-V264 CarbonylContact C-O 3.48Å; M251-V264 VanDerWaalsContact CA-O 3.31Å; M251-V264 WeakPolarHBondContact CA-O 3.22Å; F252-V264 HydrophobicContact CB-CG2 3.96Å; F252-V264 HydrophobicContact CD2-CG2 4Å; F252-V264 HydrophobicContact CG-CG2 4.44Å; F252-V264 PolarHBondContact N-O 3.3Å; F252-V264 PolarHBondContact O-N 3.41Å; V264-A282 HydrophobicContact CB-CB 4.14Å; V264-A282 HydrophobicContact CG2-CB 3.92Å; V264-L286 HydrophobicContact CG1-CB 4.2Å; V264-L286 HydrophobicContact CG1-CD1 4.32Å; V264-L286 HydrophobicContact CG2-CB 4.19Å; V264-L286 HydrophobicContact CG2-CD1 4.41Å; V264-L286 HydrophobicContact CG2-CD2 4.31Å; V264-Y289 HydrophobicContact CG1-CE2 4.04Å
265	S	96.9	Very high	91.3	Very high	33 Å²	33	56.4 Å²	56.4	23%	0.231	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.8	177.1	58.3	0	0	0	0	111.1	P136 F250	P136-S265 WeakPolarHBondContact CD-OG 3.43Å; F250-S265 WeakPolarHBondContact O-CA 3.49Å; F250-S265 VanDerWaalsContact O-CB 3.28Å; F250-S265 WeakPolarHBondContact O-CB 3.19Å
266	G	94.9	Very high	90.8	Very high	17 Å²	17	59.8 Å²	59.8	18%	0.175	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	153.8	179.5	0	0	0	0	0	112.4	A249 F250	A249-G266 CarbonylContact C-O 3.06Å; A249-G266 WeakPolarHBondContact CA-O 3.37Å; A249-G266 WeakPolarHBondContact CB-O 3.5Å; F250-G266 PolarHBondContact N-O 2.96Å; F250-G266 PolarHBondContact O-N 2.77Å
267	I	93.9	Very high	90.5	Very high	59 Å²	59	66 Å²	66	30%	0.303	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.3	169.1	-59.1	175.2	0	0	0	106.5	D130 V247 A248 A249	D130-I267 WeakPolarHBondContact O-CD1 3.24Å; V247-I267 HydrophobicContact CG2-CG2 4.15Å; A248-I267 CarbonylContact O-C 3.59Å; A248-I267 WeakPolarHBondContact O-CA 3.41Å; A249-I267 HydrophobicContact CB-CG1 4.24Å
268	I	90.3	Very high	90.2	Very high	8 Å²	8	66.9 Å²	66.9	4%	0.041	33%	0.326	C	S	.	.			trans	-93.6	152.4	-178.1	68.5	159.4	0	0	0	110.7	F201 V215 A248 F250 P270 Y275 M278	F201-I268 HydrophobicContact CE2-CD1 3.78Å; F201-I268 HydrophobicContact CE2-CG1 4.14Å; F201-I268 HydrophobicContact CZ-CD1 3.4Å; F201-I268 HydrophobicContact CZ-CG1 3.82Å; V215-I268 HydrophobicContact CG2-CD1 3.73Å; A248-I268 HydrophobicContact CB-CD1 4.03Å; A248-I268 HydrophobicContact CB-CG1 3.45Å; A248-I268 VanDerWaalsContact CB-CG1 3.45Å; A248-I268 WeakPolarHBondContact O-CG1 3.38Å; A248-I268 PolarHBondContact O-N 2.87Å; F250-I268 HydrophobicContact CD1-CG2 3.95Å; F250-I268 HydrophobicContact CE1-CG2 3.8Å; I268-P270 WeakPolarHBondContact O-CD 3.28Å; I268-Y275 VanDerWaalsContact CD1-CB 3.48Å; I268-Y275 HydrophobicContact CD1-CG 4.07Å; I268-M278 HydrophobicContact CB-SD 4.45Å; I268-M278 HydrophobicContact CG2-SD 3.63Å
269	N	85	Confident	90.1	Very high	99 Å²	99	64.1 Å²	64.1	53%	0.529	31%	0.309	S	S	.	.			trans	-79.8	119.9	160.4	-172.4	-23.7	0	0	0	108.1	R271	N269-R271 PolarHBondContact O-N 2.88Å; N269-R271 WeakPolarHBondContact OD1-CB 3.2Å; N269-R271 PolarHBondContact OD1-N 3.16Å
270	P	74.7	Confident	90	Very high	44 Å²	44	62.7 Å²	62.7	29%	0.286	31%	0.305	S	S	.	.	S	Bend	trans	-69.8	-10.2	-179.8	29.2	-35.7	0	0	0	113	V207 I211 A248 I268	V207-P270 HydrophobicContact CG1-CB 3.97Å; V207-P270 HydrophobicContact CG1-CG 4.38Å; V207-P270 HydrophobicContact CG2-CG 4.16Å; I211-P270 HydrophobicContact CG2-CB 4.27Å; A248-P270 HydrophobicContact CB-CB 4.25Å; I268-P270 WeakPolarHBondContact O-CD 3.28Å
271	R	77.7	Confident	89.8	Confident	213 Å²	213	68 Å²	68	80%	0.804	33%	0.33	S	S	*	.	S	Bend	trans	-86.3	123.5	178.3	-60.3	-176.9	-178.7	173.8	1	111.1	N269	N269-R271 PolarHBondContact O-N 2.88Å; N269-R271 WeakPolarHBondContact OD1-CB 3.2Å; N269-R271 PolarHBondContact OD1-N 3.16Å
272	G	76	Confident	89.7	Confident	50 Å²	50	65.8 Å²	65.8	52%	0.515	32%	0.324	S	S	.	.	S	Bend	trans	79.3	-171.3	175.6	0	0	0	0	0	113.5	Y275	G272-Y275 WeakPolarHBondContact O-CD1 3.2Å; G272-Y275 WeakPolarHBondContact O-CE1 3.35Å
273	H	76	Confident	89.7	Confident	126 Å²	126	65.8 Å²	65.8	58%	0.583	32%	0.324	S	S	*	.	S	Bend	trans	-98.5	10.1	-171.8	-60.5	-44.8	0	0	0	114.9	Y275 R276	H273-Y275 PolarHBondContact O-N 3.32Å; H273-R276 VanDerWaalsContact CG-NH1 3.33Å; H273-R276 PolarHBondContact ND1-NH1 2.87Å; H273-R276 PolarHBondContact O-N 2.87Å
274	R	82.3	Confident	89.7	Confident	217 Å²	217	69.7 Å²	69.7	82%	0.819	34%	0.341	S	S	*	.	H	α-helix	trans	-64	-23	-179.5	-68.6	-173.5	-179.3	-177.7	0.6	113	R276 H277 M278	R274-R276 PolarHBondContact O-N 2.9Å; R274-H277 PolarHBondContact O-N 2.97Å; R274-M278 PolarHBondContact O-N 3.16Å
275	Y	85.8	Confident	89.6	Confident	7 Å²	7	71 Å²	71	3%	0.027	35%	0.351	C	S	.	.	H	α-helix	trans	-61.3	-31.2	175.9	68.2	-100.2	0	0	0	113	V215 I268 G272 H273 H277 M278 V279	V215-Y275 HydrophobicContact CB-CD2 4.42Å; V215-Y275 HydrophobicContact CG1-CD2 4.29Å; V215-Y275 HydrophobicContact CG2-CD2 3.58Å; V215-Y275 HydrophobicContact CG2-CE2 3.76Å; V215-Y275 HydrophobicContact CG2-CG 4.08Å; I268-Y275 VanDerWaalsContact CD1-CB 3.48Å; I268-Y275 HydrophobicContact CD1-CG 4.07Å; G272-Y275 WeakPolarHBondContact O-CD1 3.2Å; G272-Y275 WeakPolarHBondContact O-CE1 3.35Å; H273-Y275 PolarHBondContact O-N 3.32Å; Y275-H277 VanDerWaalsContact C-N 3.32Å; Y275-H277 PolarHBondContact O-N 2.97Å; Y275-M278 PolarHBondContact O-N 2.84Å; Y275-V279 WeakPolarHBondContact O-CB 3.45Å; Y275-V279 VanDerWaalsContact O-CG2 3.25Å; Y275-V279 WeakPolarHBondContact O-CG2 3.49Å; Y275-V279 PolarHBondContact O-N 3.1Å
276	R	90	Very high	89.6	Confident	106 Å²	106	69.4 Å²	69.4	40%	0.4	34%	0.34	S	S	.	.	H	α-helix	trans	-61.1	-43.3	179.9	-67.1	-168.3	177.4	116.2	1.5	111.3	E218 H273 R274 V279 S280	E218-R276 HydrophobicContact CG-CB 4.3Å; E218-R276 HydrophobicContact CG-CG 4.13Å; H273-R276 VanDerWaalsContact CG-NH1 3.33Å; H273-R276 PolarHBondContact ND1-NH1 2.87Å; H273-R276 PolarHBondContact O-N 2.87Å; R274-R276 PolarHBondContact O-N 2.9Å; R276-V279 PolarHBondContact O-N 3.1Å; R276-S280 VanDerWaalsContact O-CB 3.27Å; R276-S280 WeakPolarHBondContact O-CB 3.44Å; R276-S280 PolarHBondContact O-N 3.07Å
277	H	91.6	Very high	89.8	Confident	137 Å²	137	71.6 Å²	71.6	63%	0.634	34%	0.343	S	S	*	.	H	α-helix	trans	-62.4	-48.9	175.7	-175.2	-84.4	0	0	0	111.3	R274 Y275 V279 S280 E281	R274-H277 PolarHBondContact O-N 2.97Å; Y275-H277 VanDerWaalsContact C-N 3.32Å; Y275-H277 PolarHBondContact O-N 2.97Å; H277-V279 VanDerWaalsContact C-N 3.33Å; H277-V279 PolarHBondContact O-N 3.27Å; H277-S280 PolarHBondContact O-N 2.9Å; H277-E281 IonicContact CE1-OE2 2.62Å; H277-E281 PolarHBondContact CE1-OE2 3.1Å; H277-E281 IonicContact ND1-OE2 3.85Å; H277-E281 PolarHBondContact ND1-OE2 2.92Å; H277-E281 WeakPolarHBondContact O-CB 3.35Å; H277-E281 PolarHBondContact O-N 2.86Å
278	M	92.5	Very high	89.9	Confident	74 Å²	74	72.2 Å²	72.2	37%	0.365	35%	0.347	S	S	.	.	H	α-helix	trans	-60.7	-41	-179.8	-173.8	-179.9	-68.8	0	0	112.5	F250 I268 R274 Y275 A282	F250-M278 HydrophobicContact CE1-CG 4.07Å; F250-M278 HydrophobicContact CE1-SD 4.1Å; F250-M278 HydrophobicContact CZ-CG 4.19Å; I268-M278 HydrophobicContact CB-SD 4.45Å; I268-M278 HydrophobicContact CG2-SD 3.63Å; R274-M278 PolarHBondContact O-N 3.16Å; Y275-M278 PolarHBondContact O-N 2.84Å; M278-A282 WeakPolarHBondContact O-CB 3.45Å; M278-A282 PolarHBondContact O-N 3.02Å
279	V	94.6	Very high	90.3	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-69.3	-43.1	177.9	170.9	0	0	0	0	110.9	V215 E218 A219 F250 F252 Y275 R276 H277 E281 A282 C283	V215-V279 HydrophobicContact CG1-CG2 3.55Å; E218-V279 HydrophobicContact CG-CB 4.49Å; E218-V279 HydrophobicContact CG-CG1 4.19Å; A219-V279 HydrophobicContact CB-CG1 3.87Å; F250-V279 HydrophobicContact CD1-CG2 4.2Å; F250-V279 HydrophobicContact CE1-CG2 4.06Å; F252-V279 HydrophobicContact CE2-CG1 4.29Å; Y275-V279 WeakPolarHBondContact O-CB 3.45Å; Y275-V279 VanDerWaalsContact O-CG2 3.25Å; Y275-V279 WeakPolarHBondContact O-CG2 3.49Å; Y275-V279 PolarHBondContact O-N 3.1Å; R276-V279 PolarHBondContact O-N 3.1Å; H277-V279 VanDerWaalsContact C-N 3.33Å; H277-V279 PolarHBondContact O-N 3.27Å; V279-E281 PolarHBondContact O-N 2.82Å; V279-A282 PolarHBondContact O-N 3.34Å; V279-C283 PolarHBondContact O-N 3.05Å; V279-C283 PolarHBondContact O-SG 3.27Å
280	S	95.1	Very high	90.8	Very high	50 Å²	50	70.5 Å²	70.5	35%	0.35	34%	0.338	S	S	.	.	H	α-helix	trans	-60.7	-44.1	175.2	-172.3	0	0	0	0	111.8	R276 H277 C283 Q284	R276-S280 VanDerWaalsContact O-CB 3.27Å; R276-S280 WeakPolarHBondContact O-CB 3.44Å; R276-S280 PolarHBondContact O-N 3.07Å; H277-S280 PolarHBondContact O-N 2.9Å; S280-C283 PolarHBondContact O-N 3.46Å; S280-Q284 WeakPolarHBondContact O-CB 3.49Å; S280-Q284 PolarHBondContact O-N 2.9Å
281	E	96	Very high	91.8	Very high	112 Å²	112	75.1 Å²	75.1	52%	0.523	35%	0.354	S	S	.	.	H	α-helix	trans	-63	-45	177.3	-173.4	179.7	167.4	0	0	111.1	H277 V279 C283 Q284 S285	H277-E281 IonicContact CE1-OE2 2.62Å; H277-E281 PolarHBondContact CE1-OE2 3.1Å; H277-E281 IonicContact ND1-OE2 3.85Å; H277-E281 PolarHBondContact ND1-OE2 2.92Å; H277-E281 WeakPolarHBondContact O-CB 3.35Å; H277-E281 PolarHBondContact O-N 2.86Å; V279-E281 PolarHBondContact O-N 2.82Å; E281-C283 PolarHBondContact O-N 2.82Å; E281-Q284 PolarHBondContact O-N 3.15Å; E281-S285 PolarHBondContact O-N 3.31Å; E281-S285 PolarHBondContact O-OG 2.79Å
282	A	96.5	Very high	92.6	Very high	11 Å²	11	67 Å²	67	9%	0.091	33%	0.328	C	S	.	.	H	α-helix	trans	-60.9	-44.8	175.5	0	0	0	0	0	112.4	F250 V264 M278 V279 Q284 S285 L286	F250-A282 HydrophobicContact CE2-CB 3.48Å; F250-A282 VanDerWaalsContact CE2-CB 3.48Å; F250-A282 HydrophobicContact CZ-CB 3.65Å; V264-A282 HydrophobicContact CB-CB 4.14Å; V264-A282 HydrophobicContact CG2-CB 3.92Å; M278-A282 WeakPolarHBondContact O-CB 3.45Å; M278-A282 PolarHBondContact O-N 3.02Å; V279-A282 PolarHBondContact O-N 3.34Å; A282-Q284 VanDerWaalsContact C-N 3.31Å; A282-Q284 PolarHBondContact O-N 2.88Å; A282-S285 PolarHBondContact O-N 2.93Å; A282-L286 PolarHBondContact O-N 2.99Å
283	C	97.8	Very high	93.6	Very high	1 Å²	1	65.2 Å²	65.2	1%	0.007	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-40.4	176.3	-63.9	0	0	0	0	111.6	C222 L223 V279 S280 E281 L286 Y287	C222-C283 HydrophobicContact CB-CB 3.72Å; C222-C283 VanDerWaalsContact CB-SG 3.57Å; L223-C283 HydrophobicContact CD2-CB 3.99Å; L223-C283 HydrophobicContact CG-CB 4.43Å; V279-C283 PolarHBondContact O-N 3.05Å; V279-C283 PolarHBondContact O-SG 3.27Å; S280-C283 PolarHBondContact O-N 3.46Å; E281-C283 PolarHBondContact O-N 2.82Å; C283-L286 PolarHBondContact O-N 2.75Å; C283-Y287 PolarHBondContact O-N 2.77Å
284	Q	97.7	Very high	94.6	Very high	85 Å²	85	59.4 Å²	59.4	40%	0.397	28%	0.282	S	S	.	.	H	α-helix	trans	-65.8	-41	176.7	-173.1	61.9	48.7	0	0	111.9	S280 E281 A282 Y287 N288	S280-Q284 WeakPolarHBondContact O-CB 3.49Å; S280-Q284 PolarHBondContact O-N 2.9Å; E281-Q284 PolarHBondContact O-N 3.15Å; A282-Q284 VanDerWaalsContact C-N 3.31Å; A282-Q284 PolarHBondContact O-N 2.88Å; Q284-Y287 WeakPolarHBondContact O-CB 3.34Å; Q284-Y287 PolarHBondContact O-N 3.08Å; Q284-N288 PolarHBondContact NE2-OD1 3.09Å; Q284-N288 WeakPolarHBondContact O-CB 3.44Å; Q284-N288 PolarHBondContact O-N 2.89Å; Q284-N288 PolarHBondContact O-ND2 3.29Å; Q284-N288 PolarHBondContact O-OD1 3.38Å
285	S	97	Very high	95.4	Very high	41 Å²	41	49 Å²	49	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-44.4	174.8	-66.2	0	0	0	0	111.7	E281 A282 Y287 N288 Y289	E281-S285 PolarHBondContact O-N 3.31Å; E281-S285 PolarHBondContact O-OG 2.79Å; A282-S285 PolarHBondContact O-N 2.93Å; S285-Y287 VanDerWaalsContact C-N 3.31Å; S285-Y287 PolarHBondContact O-N 2.88Å; S285-N288 WeakPolarHBondContact O-CB 3.05Å; S285-N288 PolarHBondContact O-N 2.81Å; S285-N288 VanDerWaalsContact O-N 3.17Å; S285-Y289 WeakPolarHBondContact O-CD1 3.35Å; S285-Y289 VanDerWaalsContact O-CG 3.28Å; S285-Y289 PolarHBondContact O-N 2.86Å
286	L	97.1	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.5	-40.3	176.4	-164.3	64.8	0	0	0	111.8	V197 L223 F227 F252 I254 L262 V264 A282 C283 Y289 S290	V197-L286 HydrophobicContact CG1-CD2 4.11Å; L223-L286 HydrophobicContact CD2-CD2 4.15Å; F227-L286 HydrophobicContact CE2-CD2 4.28Å; F227-L286 HydrophobicContact CE2-CG 4.35Å; F227-L286 HydrophobicContact CZ-CB 4.44Å; F227-L286 HydrophobicContact CZ-CG 4.16Å; F252-L286 HydrophobicContact CB-CD2 4.05Å; I254-L286 HydrophobicContact CB-CD1 4.37Å; I254-L286 HydrophobicContact CD1-CD1 4.25Å; I254-L286 HydrophobicContact CG1-CD1 3.87Å; I254-L286 HydrophobicContact CG1-CG 4.44Å; I254-L286 HydrophobicContact CG2-CD1 3.91Å; I254-L286 HydrophobicContact CG2-CD2 3.74Å; I254-L286 HydrophobicContact CG2-CG 3.59Å; L262-L286 WeakPolarHBondContact O-CD1 3.35Å; V264-L286 HydrophobicContact CG1-CB 4.2Å; V264-L286 HydrophobicContact CG1-CD1 4.32Å; V264-L286 HydrophobicContact CG2-CB 4.19Å; V264-L286 HydrophobicContact CG2-CD1 4.41Å; V264-L286 HydrophobicContact CG2-CD2 4.31Å; A282-L286 PolarHBondContact O-N 2.99Å; C283-L286 PolarHBondContact O-N 2.75Å; L286-Y289 HydrophobicContact CD1-CD2 4.32Å; L286-Y289 WeakPolarHBondContact O-CB 3.48Å; L286-Y289 PolarHBondContact O-N 3.34Å; L286-S290 PolarHBondContact O-N 3.22Å
287	Y	97.8	Very high	96.3	Very high	64 Å²	64	43.8 Å²	43.8	25%	0.251	22%	0.223	S	C	.	.	H	α-helix	trans	-63.8	-44.3	173.3	-179.2	-112.1	0	0	0	112.2	C226 F227 C283 Q284 S285 Y289 S290 K291	C226-Y287 HydrophobicContact CB-CD2 3.73Å; C226-Y287 HydrophobicContact CB-CG 3.92Å; C226-Y287 WeakPolarHBondContact O-CD2 3.49Å; C226-Y287 WeakPolarHBondContact O-CE2 3.48Å; F227-Y287 HydrophobicContact CE1-CD2 4.2Å; F227-Y287 HydrophobicContact CZ-CD2 4.37Å; C283-Y287 PolarHBondContact O-N 2.77Å; Q284-Y287 WeakPolarHBondContact O-CB 3.34Å; Q284-Y287 PolarHBondContact O-N 3.08Å; S285-Y287 VanDerWaalsContact C-N 3.31Å; S285-Y287 PolarHBondContact O-N 2.88Å; Y287-Y289 VanDerWaalsContact C-N 3.3Å; Y287-Y289 PolarHBondContact O-N 3.24Å; Y287-S290 PolarHBondContact O-N 2.98Å; Y287-S290 VanDerWaalsContact O-N 3.11Å; Y287-S290 PolarHBondContact O-OG 3.42Å; Y287-K291 HydrophobicContact CD1-CG 4.19Å; Y287-K291 HydrophobicContact CD2-CG 4.47Å; Y287-K291 HydrophobicContact CE1-CG 3.89Å; Y287-K291 HydrophobicContact CE2-CD 4.4Å; Y287-K291 VanDerWaalsContact CE2-CE 3.46Å; Y287-K291 HydrophobicContact CE2-CG 4.15Å; Y287-K291 PolarHBondContact O-N 2.94Å; Y287-K291 WeakPolarHBondContact OH-CE 3.47Å; Y287-K291 PolarHBondContact OH-NZ 2.9Å
288	N	97.1	Very high	96.6	Very high	72 Å²	72	40.5 Å²	40.5	39%	0.385	21%	0.211	S	C	.	.	H	α-helix	trans	-60.6	-41.4	177.4	-67.1	-11	0	0	0	111	Q284 S285 S290 K291 T292	Q284-N288 PolarHBondContact NE2-OD1 3.09Å; Q284-N288 WeakPolarHBondContact O-CB 3.44Å; Q284-N288 PolarHBondContact O-N 2.89Å; Q284-N288 PolarHBondContact O-ND2 3.29Å; Q284-N288 PolarHBondContact O-OD1 3.38Å; S285-N288 WeakPolarHBondContact O-CB 3.05Å; S285-N288 PolarHBondContact O-N 2.81Å; S285-N288 VanDerWaalsContact O-N 3.17Å; N288-S290 VanDerWaalsContact C-N 3.29Å; N288-S290 PolarHBondContact O-N 2.87Å; N288-K291 PolarHBondContact O-N 3.08Å; N288-K291 VanDerWaalsContact O-N 3.1Å; N288-T292 PolarHBondContact O-N 2.57Å; N288-T292 PolarHBondContact O-OG1 2.97Å; N288-T292 VanDerWaalsContact O-OG1 3.12Å
289	Y	97.1	Very high	96.8	Very high	39 Å²	39	40.3 Å²	40.3	15%	0.153	21%	0.206	C	C	.	.	H	α-helix	trans	-55.2	-45.4	173.7	-64.3	-19.2	0	0	0	112.1	L262 V264 S285 L286 Y287 G293 I294 D297	L262-Y289 HydrophobicContact CB-CD2 4.2Å; L262-Y289 HydrophobicContact CD2-CD2 4.26Å; L262-Y289 HydrophobicContact CD2-CG 4.32Å; V264-Y289 HydrophobicContact CG1-CE2 4.04Å; S285-Y289 WeakPolarHBondContact O-CD1 3.35Å; S285-Y289 VanDerWaalsContact O-CG 3.28Å; S285-Y289 PolarHBondContact O-N 2.86Å; L286-Y289 HydrophobicContact CD1-CD2 4.32Å; L286-Y289 WeakPolarHBondContact O-CB 3.48Å; L286-Y289 PolarHBondContact O-N 3.34Å; Y287-Y289 VanDerWaalsContact C-N 3.3Å; Y287-Y289 PolarHBondContact O-N 3.24Å; Y289-G293 PolarHBondContact O-N 3.16Å; Y289-I294 HydrophobicContact CD1-CD1 3.3Å; Y289-I294 HydrophobicContact CD1-CG1 4.14Å; Y289-I294 HydrophobicContact CE1-CD1 3.83Å; Y289-I294 HydrophobicContact CG-CD1 3.71Å; Y289-I294 HydrophobicContact CG-CG1 4.21Å; Y289-I294 PolarHBondContact O-N 3.06Å; Y289-D297 HydrophobicContact CD2-CB 4.28Å; Y289-D297 HydrophobicContact CE2-CB 3.64Å
290	S	95.8	Very high	97	Very high	32 Å²	32	40.3 Å²	40.3	22%	0.224	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-35.9	177.2	77.9	0	0	0	0	113.2	L286 Y287 N288 G293	L286-S290 PolarHBondContact O-N 3.22Å; Y287-S290 PolarHBondContact O-N 2.98Å; Y287-S290 VanDerWaalsContact O-N 3.11Å; Y287-S290 PolarHBondContact O-OG 3.42Å; N288-S290 VanDerWaalsContact C-N 3.29Å; N288-S290 PolarHBondContact O-N 2.87Å; S290-G293 PolarHBondContact O-N 2.8Å
291	K	95.8	Very high	97.1	Very high	141 Å²	141	38 Å²	38	61%	0.613	19%	0.19	S	C	*	.	H	α-helix	trans	-72.2	-40.7	-179.5	-76	-62.9	-173.8	-175	0	112.8	Y287 N288 G293	Y287-K291 HydrophobicContact CD1-CG 4.19Å; Y287-K291 HydrophobicContact CD2-CG 4.47Å; Y287-K291 HydrophobicContact CE1-CG 3.89Å; Y287-K291 HydrophobicContact CE2-CD 4.4Å; Y287-K291 VanDerWaalsContact CE2-CE 3.46Å; Y287-K291 HydrophobicContact CE2-CG 4.15Å; Y287-K291 PolarHBondContact O-N 2.94Å; Y287-K291 WeakPolarHBondContact OH-CE 3.47Å; Y287-K291 PolarHBondContact OH-NZ 2.9Å; N288-K291 PolarHBondContact O-N 3.08Å; N288-K291 VanDerWaalsContact O-N 3.1Å; K291-G293 VanDerWaalsContact C-N 3.28Å
292	T	95.9	Very high	97.2	Very high	43 Å²	43	33.1 Å²	33.1	26%	0.264	17%	0.168	S	C	.	.	H	α-helix	trans	-72.9	-24.5	175.5	-52.6	0	0	0	0	111.5	N288 I294 R318 D348	N288-T292 PolarHBondContact O-N 2.57Å; N288-T292 PolarHBondContact O-OG1 2.97Å; N288-T292 VanDerWaalsContact O-OG1 3.12Å; T292-I294 HydrophobicContact CG2-CG2 3.74Å; T292-R318 PolarHBondContact O-NH2 3.39Å; T292-D348 HydrophobicContact CG2-CB 4.43Å; T292-D348 WeakPolarHBondContact CG2-OD2 3.19Å
293	G	95.8	Very high	97.3	Very high	12 Å²	12	33.1 Å²	33.1	12%	0.124	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	28.6	179.8	0	0	0	0	0	113.2	Y289 S290 K291	Y289-G293 PolarHBondContact O-N 3.16Å; S290-G293 PolarHBondContact O-N 2.8Å; K291-G293 VanDerWaalsContact C-N 3.28Å
294	I	98	Very high	97.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	17%	0.165	C	C	.	.			trans	-72.8	148	174.1	65.9	164.7	0	0	0	110.2	A191 L262 Y289 T292 C296 C319	A191-I294 VanDerWaalsContact CB-O 3.3Å; A191-I294 WeakPolarHBondContact CB-O 3.37Å; L262-I294 HydrophobicContact CD2-CD1 3.93Å; L262-I294 HydrophobicContact CD2-CG1 3.65Å; L262-I294 WeakPolarHBondContact CD2-O 3.25Å; Y289-I294 HydrophobicContact CD1-CD1 3.3Å; Y289-I294 HydrophobicContact CD1-CG1 4.14Å; Y289-I294 HydrophobicContact CE1-CD1 3.83Å; Y289-I294 HydrophobicContact CG-CD1 3.71Å; Y289-I294 HydrophobicContact CG-CG1 4.21Å; Y289-I294 PolarHBondContact O-N 3.06Å; T292-I294 HydrophobicContact CG2-CG2 3.74Å; I294-C296 WeakPolarHBondContact CD1-O 3.48Å; I294-C319 WeakPolarHBondContact CG2-O 3.26Å
295	C	98.2	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-105.5	-4.3	-172.6	-57.9	0	0	0	0	113.8	Y147 L188 N190 A191 R318	Y147-C295 PolarHBondContact OH-O 2.88Å; L188-C295 VanDerWaalsContact C-SG 3.51Å; L188-C295 HydrophobicContact CB-CB 3.58Å; L188-C295 WeakPolarHBondContact O-CB 3.25Å; L188-C295 PolarHBondContact O-SG 3.17Å; N190-C295 PolarHBondContact N-SG 3.06Å; N190-C295 VanDerWaalsContact N-SG 3.38Å; A191-C295 PolarHBondContact N-SG 3.19Å; C295-R318 PolarHBondContact N-O 2.91Å
296	C	97.1	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-150.8	139.4	176.1	51.8	0	0	0	0	109.4	I294 M300 L304 C319	I294-C296 WeakPolarHBondContact CD1-O 3.48Å; C296-M300 HydrophobicContact CB-CB 3.91Å; C296-M300 HydrophobicContact CB-CG 4.19Å; C296-L304 HydrophobicContact CB-CD1 4.49Å; C296-C319 VanDerWaalsContact SG-CB 3.57Å
297	D	98	Very high	97.6	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.011	14%	0.136	C	C	.	.			trans	-82	176	175.5	64.9	67.2	0	0	0	111.8	Y139 L262 A263 Y289 Y299 M300 Q301	Y139-D297 PolarHBondContact OH-OD1 2.86Å; Y139-D297 PolarHBondContact OH-OD2 3.37Å; L262-D297 HydrophobicContact CB-CB 4.4Å; L262-D297 HydrophobicContact CD2-CB 4.47Å; A263-D297 PolarHBondContact N-OD2 3.5Å; Y289-D297 HydrophobicContact CD2-CB 4.28Å; Y289-D297 HydrophobicContact CE2-CB 3.64Å; D297-Y299 PolarHBondContact O-N 2.91Å; D297-Y299 VanDerWaalsContact O-N 3.16Å; D297-Y299 WeakPolarHBondContact OD1-CB 3.27Å; D297-Y299 PolarHBondContact OD1-N 3.14Å; D297-M300 PolarHBondContact O-N 2.78Å; D297-M300 PolarHBondContact OD1-N 2.85Å; D297-Q301 WeakPolarHBondContact O-CB 3.31Å; D297-Q301 PolarHBondContact O-N 2.95Å
298	D	96.8	Very high	97.6	Very high	68 Å²	68	24.6 Å²	24.6	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-52.9	-36.1	-175	-71.5	16.9	0	0	0	114	T323	D298-T323 HydrophobicContact CB-CG2 3.86Å
299	Y	97.7	Very high	97.7	Very high	71 Å²	71	21.2 Å²	21.2	28%	0.278	11%	0.106	S	C	.	.	H	α-helix	trans	-77.7	-35.2	178.6	-73.9	-43.8	0	0	0	112.1	A134 P135 Y139 D297 Q301 Q303	A134-Y299 PolarHBondContact O-OH 3.39Å; P135-Y299 HydrophobicContact CB-CD1 4.42Å; P135-Y299 HydrophobicContact CB-CD2 3.98Å; P135-Y299 HydrophobicContact CB-CE2 4.2Å; P135-Y299 HydrophobicContact CB-CG 4.1Å; P135-Y299 HydrophobicContact CG-CD1 4.45Å; Y139-Y299 HydrophobicContact CD2-CD2 4.26Å; Y139-Y299 HydrophobicContact CE2-CD2 4.05Å; D297-Y299 PolarHBondContact O-N 2.91Å; D297-Y299 VanDerWaalsContact O-N 3.16Å; D297-Y299 WeakPolarHBondContact OD1-CB 3.27Å; D297-Y299 PolarHBondContact OD1-N 3.14Å; Y299-Q301 VanDerWaalsContact C-N 3.34Å; Y299-Q303 WeakPolarHBondContact O-CB 3.31Å; Y299-Q303 WeakPolarHBondContact O-CG 3.43Å; Y299-Q303 PolarHBondContact O-NE2 2.94Å
300	M	98.2	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-77.6	-27.1	176.7	-160.2	67.7	-119.4	0	0	111.5	Y139 V143 T144 Y147 F148 C296 D297 D302 Q303 L304	Y139-M300 VanDerWaalsContact OH-CB 3.29Å; Y139-M300 WeakPolarHBondContact OH-CB 3.16Å; Y139-M300 PolarHBondContact OH-N 2.75Å; Y139-M300 VanDerWaalsContact OH-N 3.07Å; V143-M300 HydrophobicContact CG1-SD 4.47Å; T144-M300 HydrophobicContact CG2-CE 4.27Å; T144-M300 HydrophobicContact CG2-SD 4.49Å; Y147-M300 HydrophobicContact CD2-CG 3.5Å; Y147-M300 VanDerWaalsContact CD2-CG 3.5Å; Y147-M300 HydrophobicContact CD2-SD 3.65Å; Y147-M300 HydrophobicContact CE2-CG 3.93Å; Y147-M300 HydrophobicContact CG-CG 4.06Å; Y147-M300 HydrophobicContact CG-SD 4.2Å; F148-M300 HydrophobicContact CD1-CE 4.28Å; F148-M300 HydrophobicContact CE1-CE 3.89Å; C296-M300 HydrophobicContact CB-CB 3.91Å; C296-M300 HydrophobicContact CB-CG 4.19Å; D297-M300 PolarHBondContact O-N 2.78Å; D297-M300 PolarHBondContact OD1-N 2.85Å; M300-D302 PolarHBondContact O-N 2.82Å; M300-Q303 HydrophobicContact CE-CB 3.4Å; M300-Q303 PolarHBondContact O-N 3.36Å; M300-Q303 HydrophobicContact SD-CB 4.36Å; M300-L304 HydrophobicContact CE-CB 4.45Å; M300-L304 HydrophobicContact CE-CD1 4.43Å; M300-L304 HydrophobicContact CE-CD2 3.77Å; M300-L304 HydrophobicContact CE-CG 3.52Å; M300-L304 HydrophobicContact CG-CD1 3.91Å; M300-L304 HydrophobicContact CG-CG 3.99Å; M300-L304 PolarHBondContact O-N 2.76Å
301	Q	98.2	Very high	97.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-53.7	-49.1	-179.9	-169.3	-169.2	66.3	0	0	111.7	D297 Y299 I305 C319 G320 P321 T326 I353	D297-Q301 WeakPolarHBondContact O-CB 3.31Å; D297-Q301 PolarHBondContact O-N 2.95Å; Y299-Q301 VanDerWaalsContact C-N 3.34Å; Q301-I305 WeakPolarHBondContact O-CG1 3.41Å; Q301-C319 HydrophobicContact CB-CB 4.43Å; Q301-C319 HydrophobicContact CG-CB 3.77Å; Q301-C319 PolarHBondContact NE2-SG 2.92Å; Q301-G320 PolarHBondContact NE2-O 2.94Å; Q301-P321 PolarHBondContact NE2-O 3.47Å; Q301-P321 VanDerWaalsContact NE2-O 3.1Å; Q301-T326 VanDerWaalsContact CD-OG1 3.28Å; Q301-T326 HydrophobicContact CG-CG2 3.77Å; Q301-T326 WeakPolarHBondContact CG-OG1 3.22Å; Q301-T326 VanDerWaalsContact OE1-CB 3.3Å; Q301-T326 PolarHBondContact OE1-OG1 2.91Å; Q301-I353 HydrophobicContact CG-CD1 4.11Å
302	D	98	Very high	98	Very high	10 Å²	10	17.9 Å²	17.9	5%	0.053	9%	0.088	C	C	.	.	H	α-helix	trans	-81.8	-32.3	178.5	70.1	-63.2	0	0	0	112.8	Q22 M300 L304 I305 H325 T326 A329	Q22-D302 VanDerWaalsContact CD-OD2 3.31Å; Q22-D302 PolarHBondContact OE1-OD2 2.84Å; M300-D302 PolarHBondContact O-N 2.82Å; D302-L304 VanDerWaalsContact C-N 3.3Å; D302-L304 PolarHBondContact O-N 2.66Å; D302-I305 WeakPolarHBondContact O-CB 3.46Å; D302-I305 PolarHBondContact O-N 2.88Å; D302-H325 HydrophobicContact CB-CB 4.06Å; D302-T326 PolarHBondContact N-OG1 3.41Å; D302-A329 HydrophobicContact CB-CB 4.32Å
303	Q	98.4	Very high	98.1	Very high	11 Å²	11	17 Å²	17	5%	0.051	9%	0.087	C	C	.	.	H	α-helix	trans	-67.6	-24.8	180	-74.3	176.2	58	0	0	113.8	Q108 T144 Y299 M300 P307	Q108-Q303 HydrophobicContact CG-CG 4.33Å; T144-Q303 PolarHBondContact OG1-OE1 3.27Å; Y299-Q303 WeakPolarHBondContact O-CB 3.31Å; Y299-Q303 WeakPolarHBondContact O-CG 3.43Å; Y299-Q303 PolarHBondContact O-NE2 2.94Å; M300-Q303 HydrophobicContact CE-CB 3.4Å; M300-Q303 PolarHBondContact O-N 3.36Å; M300-Q303 HydrophobicContact SD-CB 4.36Å; Q303-P307 VanDerWaalsContact O-CD 3.23Å; Q303-P307 WeakPolarHBondContact O-CD 3.46Å
304	L	98.6	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-20.8	175.9	-79.4	174.3	0	0	0	113.9	M151 L188 C296 M300 D302 M306 P307 M308 I317	M151-L304 HydrophobicContact SD-CD2 3.92Å; L188-L304 HydrophobicContact CD1-CD1 4.24Å; C296-L304 HydrophobicContact CB-CD1 4.49Å; M300-L304 HydrophobicContact CE-CB 4.45Å; M300-L304 HydrophobicContact CE-CD1 4.43Å; M300-L304 HydrophobicContact CE-CD2 3.77Å; M300-L304 HydrophobicContact CE-CG 3.52Å; M300-L304 HydrophobicContact CG-CD1 3.91Å; M300-L304 HydrophobicContact CG-CG 3.99Å; M300-L304 PolarHBondContact O-N 2.76Å; D302-L304 VanDerWaalsContact C-N 3.3Å; D302-L304 PolarHBondContact O-N 2.66Å; L304-M306 PolarHBondContact O-N 3.35Å; L304-P307 VanDerWaalsContact O-CD 3.31Å; L304-P307 WeakPolarHBondContact O-CD 3.39Å; L304-M308 HydrophobicContact CB-CG 4.41Å; L304-M308 HydrophobicContact CB-SD 4.02Å; L304-M308 WeakPolarHBondContact O-CB 3.38Å; L304-M308 WeakPolarHBondContact O-CG 3.45Å; L304-M308 PolarHBondContact O-N 3.25Å; L304-I317 HydrophobicContact CB-CD1 4.09Å; L304-I317 HydrophobicContact CD1-CD1 4.1Å; L304-I317 HydrophobicContact CD1-CG2 4.03Å
305	I	98.8	Very high	98.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.3	-49.4	-171.8	-61	-57.2	0	0	0	112.4	Q301 D302 M308 A309 T326 A329 I330 A333 F341 I353	Q301-I305 WeakPolarHBondContact O-CG1 3.41Å; D302-I305 WeakPolarHBondContact O-CB 3.46Å; D302-I305 PolarHBondContact O-N 2.88Å; I305-M308 PolarHBondContact O-N 3.33Å; I305-A309 WeakPolarHBondContact O-CB 3.4Å; I305-A309 PolarHBondContact O-N 3.35Å; I305-T326 HydrophobicContact CD1-CG2 4.08Å; I305-T326 HydrophobicContact CG1-CG2 4.18Å; I305-A329 HydrophobicContact CB-CB 3.85Å; I305-A329 HydrophobicContact CG1-CB 3.97Å; I305-A329 HydrophobicContact CG2-CB 3.96Å; I305-I330 HydrophobicContact CD1-CD1 4.31Å; I305-I330 HydrophobicContact CD1-CG1 3.89Å; I305-I330 HydrophobicContact CG1-CG1 4.23Å; I305-I330 HydrophobicContact CG2-CG1 3.95Å; I305-A333 HydrophobicContact CG2-CB 4.1Å; I305-F341 HydrophobicContact CB-CZ 4.47Å; I305-F341 HydrophobicContact CD1-CD1 4.37Å; I305-F341 HydrophobicContact CD1-CE1 3.94Å; I305-F341 HydrophobicContact CG2-CE1 3.97Å; I305-F341 HydrophobicContact CG2-CE2 3.94Å; I305-F341 HydrophobicContact CG2-CZ 3.55Å; I305-F341 WeakPolarHBondContact O-CZ 3.49Å; I305-I353 HydrophobicContact CD1-CD1 4.3Å; I305-I353 HydrophobicContact CD1-CG2 4.02Å
306	M	98.6	Very high	98.3	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.039	12%	0.116	C	C	.	.	H	α-helix	trans	-66.6	-47.5	179.7	172.2	176.7	52.1	0	0	112.4	S29 I30 P112 L304 M308 A309 L310	S29-M306 VanDerWaalsContact CB-SD 3.52Å; I30-M306 HydrophobicContact CD1-CG 4.37Å; I30-M306 HydrophobicContact CD1-SD 4.37Å; I30-M306 HydrophobicContact CG1-CG 4.06Å; I30-M306 HydrophobicContact CG1-SD 3.71Å; P112-M306 HydrophobicContact CB-CE 3.74Å; P112-M306 HydrophobicContact CB-SD 4.37Å; P112-M306 HydrophobicContact CG-CE 3.43Å; P112-M306 VanDerWaalsContact CG-CE 3.43Å; L304-M306 PolarHBondContact O-N 3.35Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 2.94Å; M306-A309 PolarHBondContact O-N 3.11Å; M306-L310 HydrophobicContact CG-CD1 3.85Å; M306-L310 HydrophobicContact CG-CG 4.49Å; M306-L310 WeakPolarHBondContact O-CG 3.27Å; M306-L310 PolarHBondContact O-N 3.44Å
307	P	98.6	Very high	98.4	Very high	4 Å²	4	23.2 Å²	23.2	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-53.3	-44	170.5	-29.2	34.6	0	0	0	113.9	F148 M151 Q303 L304 L310 A311	F148-P307 HydrophobicContact CD1-CG 4.44Å; F148-P307 HydrophobicContact CE1-CG 3.87Å; F148-P307 HydrophobicContact CZ-CG 4.49Å; M151-P307 HydrophobicContact CE-CB 3.82Å; M151-P307 HydrophobicContact SD-CB 3.63Å; Q303-P307 VanDerWaalsContact O-CD 3.23Å; Q303-P307 WeakPolarHBondContact O-CD 3.46Å; L304-P307 VanDerWaalsContact O-CD 3.31Å; L304-P307 WeakPolarHBondContact O-CD 3.39Å; P307-L310 PolarHBondContact O-N 3.44Å; P307-A311 WeakPolarHBondContact O-CB 3.38Å; P307-A311 PolarHBondContact O-N 3.03Å
308	M	98.8	Very high	98.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.6	-44.1	176.9	-71.1	170.4	66.4	0	0	111.7	M151 I186 L304 I305 M306 L310 A311 I317 F341 I353 G357	M151-M308 HydrophobicContact CE-CG 4.49Å; I186-M308 HydrophobicContact CG2-CG 4.2Å; L304-M308 HydrophobicContact CB-CG 4.41Å; L304-M308 HydrophobicContact CB-SD 4.02Å; L304-M308 WeakPolarHBondContact O-CB 3.38Å; L304-M308 WeakPolarHBondContact O-CG 3.45Å; L304-M308 PolarHBondContact O-N 3.25Å; I305-M308 PolarHBondContact O-N 3.33Å; M306-M308 VanDerWaalsContact C-N 3.32Å; M306-M308 PolarHBondContact O-N 2.94Å; M308-L310 VanDerWaalsContact C-N 3.28Å; M308-L310 PolarHBondContact O-N 2.99Å; M308-A311 PolarHBondContact O-N 3.17Å; M308-I317 HydrophobicContact CE-CG1 4.18Å; M308-I317 HydrophobicContact CE-CG2 4.39Å; M308-I317 HydrophobicContact SD-CD1 3.75Å; M308-I317 HydrophobicContact SD-CG1 4.04Å; M308-I317 HydrophobicContact SD-CG2 4.03Å; M308-F341 HydrophobicContact CB-CE1 4.35Å; M308-F341 HydrophobicContact CB-CZ 4.42Å; M308-F341 HydrophobicContact CE-CE1 4.2Å; M308-I353 HydrophobicContact CE-CG2 4.38Å; M308-G357 WeakPolarHBondContact O-CA 3.4Å
309	A	98.8	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-65.3	-30.8	178.7	0	0	0	0	0	112.9	I305 M306 A333 L337 V339 F341 G357 V358	I305-A309 WeakPolarHBondContact O-CB 3.4Å; I305-A309 PolarHBondContact O-N 3.35Å; M306-A309 PolarHBondContact O-N 3.11Å; A309-A333 HydrophobicContact CB-CB 3.94Å; A309-L337 HydrophobicContact CB-CD1 3.56Å; A309-V339 HydrophobicContact CB-CG1 4.46Å; A309-V339 HydrophobicContact CB-CG2 3.93Å; A309-F341 HydrophobicContact CB-CE2 4.03Å; A309-F341 HydrophobicContact CB-CZ 3.98Å; A309-G357 CarbonylContact O-C 3.47Å; A309-G357 VanDerWaalsContact O-CA 3.28Å; A309-G357 WeakPolarHBondContact O-CA 3.24Å; A309-V358 PolarHBondContact O-N 3.04Å
310	L	98.7	Very high	98.5	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-86	-21.8	178.4	-69.1	169.8	0	0	0	113.4	I33 F116 L183 M306 P307 M308 L337 G359 Y360	I33-L310 HydrophobicContact CD1-CD1 3.72Å; I33-L310 HydrophobicContact CG2-CD2 4.16Å; F116-L310 HydrophobicContact CE2-CD1 4.17Å; F116-L310 HydrophobicContact CZ-CB 4.38Å; F116-L310 HydrophobicContact CZ-CD1 4.31Å; L183-L310 HydrophobicContact CD1-CB 3.9Å; M306-L310 HydrophobicContact CG-CD1 3.85Å; M306-L310 HydrophobicContact CG-CG 4.49Å; M306-L310 WeakPolarHBondContact O-CG 3.27Å; M306-L310 PolarHBondContact O-N 3.44Å; P307-L310 PolarHBondContact O-N 3.44Å; M308-L310 VanDerWaalsContact C-N 3.28Å; M308-L310 PolarHBondContact O-N 2.99Å; L310-L337 HydrophobicContact CD2-CD1 3.92Å; L310-L337 HydrophobicContact CD2-CD2 3.99Å; L310-L337 HydrophobicContact CG-CD1 4.19Å; L310-G359 PolarHBondContact O-N 3.5Å; L310-Y360 HydrophobicContact CD2-CG 4.5Å; L310-Y360 PolarHBondContact O-N 3.22Å
311	A	98.7	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-63.7	154	-175.4	0	0	0	0	0	113.8	M151 L183 P307 M308 G313 G357 G359	M151-A311 HydrophobicContact CE-CB 3.9Å; L183-A311 HydrophobicContact CB-CB 4.07Å; L183-A311 CarbonylContact O-C 3.53Å; L183-A311 VanDerWaalsContact O-CA 3.26Å; L183-A311 WeakPolarHBondContact O-CA 3.35Å; L183-A311 WeakPolarHBondContact O-CB 3.45Å; P307-A311 WeakPolarHBondContact O-CB 3.38Å; P307-A311 PolarHBondContact O-N 3.03Å; M308-A311 PolarHBondContact O-N 3.17Å; A311-G313 PolarHBondContact O-N 2.96Å; A311-G357 CarbonylContact O-C 3.55Å; A311-G357 WeakPolarHBondContact O-CA 3.49Å; A311-G359 WeakPolarHBondContact O-CA 3.47Å; A311-G359 PolarHBondContact O-N 2.96Å
312	K	98.2	Very high	98.4	Very high	142 Å²	142	24.6 Å²	24.6	62%	0.617	13%	0.13	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	91.4	175.8	-174.7	-178.8	177.3	-178.6	0	110.3	P182 L183 P185 G359	P182-K312 HydrophobicContact CB-CB 4.11Å; P182-K312 HydrophobicContact CB-CD 4.45Å; L183-K312 PolarHBondContact O-N 2.85Å; P185-K312 VanDerWaalsContact CD-O 3.29Å; P185-K312 WeakPolarHBondContact CD-O 3.44Å; K312-G359 VanDerWaalsContact CA-CA 3.5Å
313	G	98.1	Very high	98.3	Very high	23 Å²	23	25.3 Å²	25.3	24%	0.237	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	125.3	-167.3	175	0	0	0	0	0	113.1	A311 N356 G357	A311-G313 PolarHBondContact O-N 2.96Å; G313-N356 PolarHBondContact O-OD1 3.29Å; G313-G357 PolarHBondContact O-N 3.34Å
314	N	98.6	Very high	98.1	Very high	86 Å²	86	28.8 Å²	28.8	46%	0.46	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	115.5	-174.4	-170.4	22.5	0	0	0	111.6	P185 C355	P185-N314 WeakPolarHBondContact CB-O 3.4Å; N314-C355 WeakPolarHBondContact CA-O 3.31Å; N314-C355 PolarHBondContact OD1-O 3.02Å
315	S	98.9	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	142.9	171.5	-59.6	0	0	0	0	110.7	P185 I186 S354 C355	P185-S315 VanDerWaalsContact CA-OG 3.27Å; P185-S315 WeakPolarHBondContact CA-OG 3.45Å; P185-S315 WeakPolarHBondContact CB-OG 3.4Å; I186-S315 PolarHBondContact N-OG 3.3Å; I186-S315 VanDerWaalsContact N-OG 3.14Å; I186-S315 CarbonylContact O-C 3.56Å; I186-S315 WeakPolarHBondContact O-CA 3.2Å; I186-S315 WeakPolarHBondContact O-CB 3.36Å; S315-S354 CarbonylContact O-C 3.54Å; S315-S354 VanDerWaalsContact O-CA 3.24Å; S315-S354 WeakPolarHBondContact O-CA 2.95Å; S315-C355 PolarHBondContact N-O 2.66Å; S315-C355 PolarHBondContact O-N 3.48Å
316	Q	98.7	Very high	97.9	Very high	60 Å²	60	32.4 Å²	32.4	28%	0.28	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	130.8	176.5	-50.2	-172.4	-72.1	0	0	110.5	I186 S187 L188 L189 I353	I186-Q316 PolarHBondContact O-N 3.27Å; S187-Q316 CarbonylContact C-O 3.57Å; S187-Q316 WeakPolarHBondContact CA-O 3.25Å; L188-Q316 PolarHBondContact N-O 2.87Å; L189-Q316 HydrophobicContact CD2-CB 3.98Å; L189-Q316 HydrophobicContact CG-CB 4.48Å; Q316-I353 CarbonylContact C-O 3.57Å; Q316-I353 VanDerWaalsContact CA-O 3.32Å; Q316-I353 WeakPolarHBondContact CA-O 3.35Å
317	I	98.6	Very high	97.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136	178.2	63.3	175.3	0	0	0	110.7	I186 L188 L304 M308 I352 I353	I186-I317 HydrophobicContact CG2-CG2 3.98Å; L188-I317 HydrophobicContact CB-CG2 4.2Å; L188-I317 HydrophobicContact CD1-CG2 4.11Å; L188-I317 HydrophobicContact CG-CG2 4.39Å; L188-I317 CarbonylContact O-C 3.53Å; L188-I317 WeakPolarHBondContact O-CA 3.48Å; L304-I317 HydrophobicContact CB-CD1 4.09Å; L304-I317 HydrophobicContact CD1-CD1 4.1Å; L304-I317 HydrophobicContact CD1-CG2 4.03Å; M308-I317 HydrophobicContact CE-CG1 4.18Å; M308-I317 HydrophobicContact CE-CG2 4.39Å; M308-I317 HydrophobicContact SD-CD1 3.75Å; M308-I317 HydrophobicContact SD-CG1 4.04Å; M308-I317 HydrophobicContact SD-CG2 4.03Å; I317-I352 CarbonylContact O-C 3.55Å; I317-I352 WeakPolarHBondContact O-CA 3.38Å; I317-I353 HydrophobicContact CG1-CB 3.93Å; I317-I353 PolarHBondContact N-O 2.93Å; I317-I353 PolarHBondContact O-N 3.26Å
318	R	98.5	Very high	97.7	Very high	49 Å²	49	36.4 Å²	36.4	19%	0.185	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.5	168.5	-171.6	178.5	-179.4	-176.3	-1.3	109.5	L188 L189 T292 C295 D348 S350 S351 I352	L188-R318 PolarHBondContact O-N 3.35Å; L189-R318 WeakPolarHBondContact O-CD 3.43Å; T292-R318 PolarHBondContact O-NH2 3.39Å; C295-R318 PolarHBondContact N-O 2.91Å; R318-D348 IonicContact CZ-OD2 3.66Å; R318-D348 IonicContact NH2-OD1 3.37Å; R318-D348 IonicContact NH2-OD2 2.97Å; R318-D348 PolarHBondContact NH2-OD2 3.32Å; R318-S350 PolarHBondContact NE-OG 3.09Å; R318-S350 VanDerWaalsContact NE-OG 3.08Å; R318-S351 WeakPolarHBondContact CA-O 3.37Å; R318-I352 HydrophobicContact CB-CG1 4.4Å; R318-I352 HydrophobicContact CG-CG1 4.4Å
319	C	98.4	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	174.3	-174.6	57.6	0	0	0	0	110.2	I294 C296 Q301 S350 S351	I294-C319 WeakPolarHBondContact CG2-O 3.26Å; C296-C319 VanDerWaalsContact SG-CB 3.57Å; Q301-C319 HydrophobicContact CB-CB 4.43Å; Q301-C319 HydrophobicContact CG-CB 3.77Å; Q301-C319 PolarHBondContact NE2-SG 2.92Å; C319-S350 CarbonylContact O-C 3.54Å; C319-S350 WeakPolarHBondContact O-CA 3.34Å; C319-S350 VanDerWaalsContact O-CB 3.24Å; C319-S350 WeakPolarHBondContact O-CB 3.28Å; C319-S351 PolarHBondContact N-O 2.84Å; C319-S351 PolarHBondContact O-N 3.41Å; C319-S351 PolarHBondContact SG-O 3.17Å
320	G	97.2	Very high	97.7	Very high	7 Å²	7	37.1 Å²	37.1	7%	0.072	19%	0.191	C	C	.	.	S	Bend	trans	-64.9	-171.3	168.5	0	0	0	0	0	112.4	Q301	Q301-G320 PolarHBondContact NE2-O 2.94Å
321	P	96.6	Very high	97.6	Very high	83 Å²	83	40 Å²	40	54%	0.539	20%	0.202	S	C	.	.	S	Bend	trans	-50.6	145.3	169.2	-25.3	33.7	0	0	0	111.6	Q301 T323	Q301-P321 PolarHBondContact NE2-O 3.47Å; Q301-P321 VanDerWaalsContact NE2-O 3.1Å; P321-T323 PolarHBondContact O-N 3.46Å; P321-T323 VanDerWaalsContact O-N 3.16Å
322	L	97.5	Very high	97.5	Very high	32 Å²	32	40 Å²	40	17%	0.168	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-65.7	119.4	-178.3	-93.3	66.3	0	0	0	111.3	T326 K327 I330 V343 S351 I353	L322-T326 HydrophobicContact CD2-CG2 4.36Å; L322-T326 HydrophobicContact CG-CG2 4.04Å; L322-K327 HydrophobicContact CB-CG 4.15Å; L322-K327 HydrophobicContact CD2-CG 4.16Å; L322-I330 HydrophobicContact CD2-CD1 3.96Å; L322-V343 HydrophobicContact CD1-CG1 3.6Å; L322-V343 HydrophobicContact CD2-CB 4.47Å; L322-V343 HydrophobicContact CD2-CG1 3.87Å; L322-V343 HydrophobicContact CD2-CG2 3.83Å; L322-V343 HydrophobicContact CG-CG1 4.39Å; L322-S351 VanDerWaalsContact CD1-CB 3.48Å; L322-I353 HydrophobicContact CD1-CD1 3.88Å; L322-I353 HydrophobicContact CD1-CG1 3.99Å; L322-I353 HydrophobicContact CD2-CD1 4.44Å; L322-I353 HydrophobicContact CG-CD1 4.08Å
323	T	96	Very high	97.6	Very high	25 Å²	25	33.3 Å²	33.3	15%	0.153	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-66.8	160.8	169.5	76.6	0	0	0	0	110.8	D298 P321 H325 T326 K327	D298-T323 HydrophobicContact CB-CG2 3.86Å; P321-T323 PolarHBondContact O-N 3.46Å; P321-T323 VanDerWaalsContact O-N 3.16Å; T323-H325 PolarHBondContact O-N 3Å; T323-H325 PolarHBondContact OG1-N 3.27Å; T323-T326 PolarHBondContact O-N 3.02Å; T323-T326 PolarHBondContact OG1-N 3.3Å; T323-T326 VanDerWaalsContact OG1-N 3.11Å; T323-T326 PolarHBondContact OG1-OG1 3.17Å; T323-T326 VanDerWaalsContact OG1-OG1 3.04Å; T323-K327 WeakPolarHBondContact O-CG 3.41Å; T323-K327 PolarHBondContact O-N 2.86Å; T323-K327 VanDerWaalsContact O-N 3.08Å
324	L	95	Very high	97.6	Very high	85 Å²	85	35.2 Å²	35.2	45%	0.445	18%	0.176	S	C	.	.	H	α-helix	trans	-65.2	-29.1	174.6	-165.1	61.7	0	0	0	112.1	M17 E18 T328	M17-L324 HydrophobicContact CB-CD1 4.06Å; M17-L324 HydrophobicContact CB-CG 4.47Å; M17-L324 HydrophobicContact SD-CD1 4.2Å; E18-L324 VanDerWaalsContact CA-CD2 3.46Å; E18-L324 HydrophobicContact CB-CB 4.39Å; E18-L324 HydrophobicContact CB-CD2 3.69Å; E18-L324 HydrophobicContact CB-CG 3.74Å; L324-T328 WeakPolarHBondContact O-CB 3.37Å; L324-T328 PolarHBondContact O-N 3.12Å; L324-T328 PolarHBondContact O-OG1 3.07Å
325	H	95.4	Very high	97.5	Very high	75 Å²	75	35.2 Å²	35.2	35%	0.347	17%	0.173	S	C	.	.	H	α-helix	trans	-65.1	-44	174	-57.5	94.5	0	0	0	110.7	E18 D302 T323 T328 A329	E18-H325 IonicContact OE1-CD2 2.67Å; E18-H325 IonicContact OE2-CD2 3.88Å; E18-H325 PolarHBondContact OE2-CD2 3.41Å; E18-H325 IonicContact OE2-NE2 2.68Å; E18-H325 PolarHBondContact OE2-NE2 3.41Å; E18-H325 VanDerWaalsContact OE2-NE2 3.13Å; D302-H325 HydrophobicContact CB-CB 4.06Å; T323-H325 PolarHBondContact O-N 3Å; T323-H325 PolarHBondContact OG1-N 3.27Å; H325-T328 WeakPolarHBondContact O-CB 3.3Å; H325-T328 PolarHBondContact O-N 2.92Å; H325-A329 WeakPolarHBondContact O-CB 3.27Å; H325-A329 PolarHBondContact O-N 3.04Å
326	T	97.6	Very high	97.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-63	-45.8	176.7	-56.5	0	0	0	0	111.9	Q301 D302 I305 L322 T323 T328 A329 I330 I353	Q301-T326 VanDerWaalsContact CD-OG1 3.28Å; Q301-T326 HydrophobicContact CG-CG2 3.77Å; Q301-T326 WeakPolarHBondContact CG-OG1 3.22Å; Q301-T326 VanDerWaalsContact OE1-CB 3.3Å; Q301-T326 PolarHBondContact OE1-OG1 2.91Å; D302-T326 PolarHBondContact N-OG1 3.41Å; I305-T326 HydrophobicContact CD1-CG2 4.08Å; I305-T326 HydrophobicContact CG1-CG2 4.18Å; L322-T326 HydrophobicContact CD2-CG2 4.36Å; L322-T326 HydrophobicContact CG-CG2 4.04Å; T323-T326 PolarHBondContact O-N 3.02Å; T323-T326 PolarHBondContact OG1-N 3.3Å; T323-T326 VanDerWaalsContact OG1-N 3.11Å; T323-T326 PolarHBondContact OG1-OG1 3.17Å; T323-T326 VanDerWaalsContact OG1-OG1 3.04Å; T326-T328 VanDerWaalsContact C-N 3.26Å; T326-T328 PolarHBondContact O-N 3.44Å; T326-A329 PolarHBondContact O-N 2.97Å; T326-A329 VanDerWaalsContact O-N 3.13Å; T326-I330 HydrophobicContact CG2-CD1 4.13Å; T326-I330 WeakPolarHBondContact O-CG1 2.9Å; T326-I330 PolarHBondContact O-N 3.43Å; T326-I353 HydrophobicContact CG2-CD1 3.7Å
327	K	97.3	Very high	97.5	Very high	96 Å²	96	34 Å²	34	42%	0.417	17%	0.168	S	C	.	.	H	α-helix	trans	-58.9	-39.9	175.1	-67	177.2	-175.3	-179.6	0	111.9	M17 L322 T323 Y331	M17-K327 HydrophobicContact SD-CB 4.15Å; L322-K327 HydrophobicContact CB-CG 4.15Å; L322-K327 HydrophobicContact CD2-CG 4.16Å; T323-K327 WeakPolarHBondContact O-CG 3.41Å; T323-K327 PolarHBondContact O-N 2.86Å; T323-K327 VanDerWaalsContact O-N 3.08Å; K327-Y331 WeakPolarHBondContact O-CB 3.45Å; K327-Y331 PolarHBondContact O-N 2.89Å
328	T	96.4	Very high	97.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-43.3	175.5	-53.9	0	0	0	0	111.3	M17 E18 Q22 I23 L324 H325 T326 I330 Y331 V332	M17-T328 HydrophobicContact CB-CG2 4.49Å; M17-T328 WeakPolarHBondContact CB-OG1 3.42Å; E18-T328 HydrophobicContact CG-CG2 4.12Å; E18-T328 WeakPolarHBondContact CG-OG1 3.14Å; E18-T328 PolarHBondContact N-OG1 2.62Å; Q22-T328 HydrophobicContact CB-CG2 4.22Å; I23-T328 HydrophobicContact CB-CG2 3.98Å; L324-T328 WeakPolarHBondContact O-CB 3.37Å; L324-T328 PolarHBondContact O-N 3.12Å; L324-T328 PolarHBondContact O-OG1 3.07Å; H325-T328 WeakPolarHBondContact O-CB 3.3Å; H325-T328 PolarHBondContact O-N 2.92Å; T326-T328 VanDerWaalsContact C-N 3.26Å; T326-T328 PolarHBondContact O-N 3.44Å; T328-I330 VanDerWaalsContact C-N 3.34Å; T328-I330 PolarHBondContact O-N 3.5Å; T328-Y331 PolarHBondContact O-N 3.1Å; T328-V332 WeakPolarHBondContact O-CG2 3.15Å; T328-V332 PolarHBondContact O-N 3.38Å; T328-V332 VanDerWaalsContact O-N 3.08Å
329	A	98.1	Very high	97.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-41.8	178.4	0	0	0	0	0	111.8	Q22 N26 D302 I305 H325 T326 V332 A333	Q22-A329 HydrophobicContact CG-CB 4.34Å; N26-A329 WeakPolarHBondContact ND2-CA 3.4Å; N26-A329 VanDerWaalsContact ND2-CB 3.3Å; N26-A329 WeakPolarHBondContact ND2-CB 3.36Å; D302-A329 HydrophobicContact CB-CB 4.32Å; I305-A329 HydrophobicContact CB-CB 3.85Å; I305-A329 HydrophobicContact CG1-CB 3.97Å; I305-A329 HydrophobicContact CG2-CB 3.96Å; H325-A329 WeakPolarHBondContact O-CB 3.27Å; H325-A329 PolarHBondContact O-N 3.04Å; T326-A329 PolarHBondContact O-N 2.97Å; T326-A329 VanDerWaalsContact O-N 3.13Å; A329-V332 PolarHBondContact O-N 2.91Å; A329-A333 WeakPolarHBondContact O-CB 3.47Å; A329-A333 PolarHBondContact O-N 3.42Å
330	I	98.4	Very high	97.4	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.077	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-53.4	175.2	-72.2	169.9	0	0	0	109.8	I305 L322 T326 T328 V332 A333 E334 F341 V343 I353	I305-I330 HydrophobicContact CD1-CD1 4.31Å; I305-I330 HydrophobicContact CD1-CG1 3.89Å; I305-I330 HydrophobicContact CG1-CG1 4.23Å; I305-I330 HydrophobicContact CG2-CG1 3.95Å; L322-I330 HydrophobicContact CD2-CD1 3.96Å; T326-I330 HydrophobicContact CG2-CD1 4.13Å; T326-I330 WeakPolarHBondContact O-CG1 2.9Å; T326-I330 PolarHBondContact O-N 3.43Å; T328-I330 VanDerWaalsContact C-N 3.34Å; T328-I330 PolarHBondContact O-N 3.5Å; I330-V332 VanDerWaalsContact C-N 3.28Å; I330-V332 PolarHBondContact O-N 3.25Å; I330-A333 PolarHBondContact O-N 3.37Å; I330-A333 VanDerWaalsContact O-N 3.08Å; I330-E334 HydrophobicContact CG2-CG 4.1Å; I330-E334 WeakPolarHBondContact O-CG 3.02Å; I330-E334 PolarHBondContact O-N 2.84Å; I330-F341 HydrophobicContact CB-CD2 4.49Å; I330-F341 HydrophobicContact CB-CG 4.49Å; I330-F341 HydrophobicContact CD1-CB 4.35Å; I330-F341 HydrophobicContact CD1-CG 4.48Å; I330-F341 HydrophobicContact CG1-CB 4.25Å; I330-F341 HydrophobicContact CG1-CD1 4.15Å; I330-F341 HydrophobicContact CG1-CD2 4.33Å; I330-F341 HydrophobicContact CG1-CG 3.98Å; I330-F341 HydrophobicContact CG2-CB 3.71Å; I330-F341 HydrophobicContact CG2-CD2 3.99Å; I330-F341 HydrophobicContact CG2-CG 3.98Å; I330-V343 HydrophobicContact CD1-CG2 4.23Å; I330-I353 HydrophobicContact CD1-CG2 4.39Å
331	Y	97.4	Very high	97.5	Very high	63 Å²	63	43.2 Å²	43.2	25%	0.247	23%	0.229	C	C	.	.	H	α-helix	trans	-51.3	-47.4	179.3	166.9	-102	0	0	0	112.4	V16 I23 K327 T328 H335	V16-Y331 HydrophobicContact CB-CE1 4.09Å; V16-Y331 HydrophobicContact CG1-CD1 3.86Å; V16-Y331 HydrophobicContact CG1-CD2 4.25Å; V16-Y331 HydrophobicContact CG1-CE1 3.81Å; V16-Y331 HydrophobicContact CG1-CE2 4.2Å; V16-Y331 HydrophobicContact CG1-CG 4.09Å; V16-Y331 HydrophobicContact CG2-CE1 4.44Å; I23-Y331 HydrophobicContact CD1-CD1 4.3Å; I23-Y331 HydrophobicContact CD1-CE1 4.07Å; K327-Y331 WeakPolarHBondContact O-CB 3.45Å; K327-Y331 PolarHBondContact O-N 2.89Å; T328-Y331 PolarHBondContact O-N 3.1Å; Y331-H335 WeakPolarHBondContact O-CB 3.49Å; Y331-H335 PolarHBondContact O-N 2.93Å
332	V	97.6	Very high	97.6	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68	-41.5	-179.5	177.5	0	0	0	0	111.8	I23 N26 A27 I30 T328 A329 I330 L336	I23-V332 HydrophobicContact CB-CG2 4.23Å; I23-V332 HydrophobicContact CD1-CG2 3.96Å; I23-V332 HydrophobicContact CG1-CG2 3.64Å; N26-V332 HydrophobicContact CB-CB 4.25Å; N26-V332 HydrophobicContact CB-CG1 3.79Å; A27-V332 HydrophobicContact CB-CG1 4.09Å; I30-V332 HydrophobicContact CD1-CG1 4.21Å; T328-V332 WeakPolarHBondContact O-CG2 3.15Å; T328-V332 PolarHBondContact O-N 3.38Å; T328-V332 VanDerWaalsContact O-N 3.08Å; A329-V332 PolarHBondContact O-N 2.91Å; I330-V332 VanDerWaalsContact C-N 3.28Å; I330-V332 PolarHBondContact O-N 3.25Å; V332-L336 HydrophobicContact CG1-CD1 3.71Å; V332-L336 HydrophobicContact CG1-CG 4.33Å; V332-L336 WeakPolarHBondContact O-CB 3.42Å; V332-L336 WeakPolarHBondContact O-CG 3.16Å; V332-L336 PolarHBondContact O-N 2.86Å
333	A	98.5	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.3	-47.4	179	0	0	0	0	0	111.5	I305 A309 A329 I330 H335 L337 V339 F341	I305-A333 HydrophobicContact CG2-CB 4.1Å; A309-A333 HydrophobicContact CB-CB 3.94Å; A329-A333 WeakPolarHBondContact O-CB 3.47Å; A329-A333 PolarHBondContact O-N 3.42Å; I330-A333 PolarHBondContact O-N 3.37Å; I330-A333 VanDerWaalsContact O-N 3.08Å; A333-H335 PolarHBondContact O-N 3.5Å; A333-L337 VanDerWaalsContact O-CB 3.24Å; A333-L337 WeakPolarHBondContact O-CB 3.11Å; A333-L337 PolarHBondContact O-N 3.49Å; A333-V339 HydrophobicContact CB-CG2 4.47Å; A333-F341 HydrophobicContact CB-CE2 3.86Å
334	E	98.4	Very high	97.7	Very high	64 Å²	64	48.8 Å²	48.8	30%	0.299	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-46.8	176.5	-65.7	-171.4	140.5	0	0	111.4	I330 L336 G338 V339 K340 F341	I330-E334 HydrophobicContact CG2-CG 4.1Å; I330-E334 WeakPolarHBondContact O-CG 3.02Å; I330-E334 PolarHBondContact O-N 2.84Å; E334-L336 PolarHBondContact O-N 3.28Å; E334-G338 VanDerWaalsContact O-CA 3.27Å; E334-G338 WeakPolarHBondContact O-CA 3.25Å; E334-G338 PolarHBondContact O-N 3.32Å; E334-V339 WeakPolarHBondContact CA-O 3.44Å; E334-V339 WeakPolarHBondContact CB-O 3.27Å; E334-V339 HydrophobicContact CG-CG2 4.47Å; E334-V339 WeakPolarHBondContact CG-O 3.39Å; E334-K340 WeakPolarHBondContact OE1-CA 3.48Å; E334-F341 HydrophobicContact CG-CD2 3.91Å; E334-F341 PolarHBondContact OE1-N 3.21Å
335	H	97.6	Very high	97.9	Very high	86 Å²	86	49.3 Å²	49.3	40%	0.398	26%	0.261	S	S	.	.	H	α-helix	trans	-64.4	-40.2	-177.6	-174.1	62.1	0	0	0	113.4	L11 Y331 A333	L11-H335 PolarHBondContact O-NE2 3.26Å; Y331-H335 WeakPolarHBondContact O-CB 3.49Å; Y331-H335 PolarHBondContact O-N 2.93Å; A333-H335 PolarHBondContact O-N 3.5Å
336	L	98.2	Very high	97.9	Very high	13 Å²	13	48.2 Å²	48.2	7%	0.068	26%	0.257	C	S	.	.	H	α-helix	trans	-94.2	-26.8	-173.7	-63.9	-178.4	0	0	0	114.3	T10 V12 A27 I30 I38 V332 E334	T10-L336 HydrophobicContact CG2-CD2 3.7Å; V12-L336 HydrophobicContact CG2-CD2 3.9Å; A27-L336 HydrophobicContact CB-CD1 3.94Å; I30-L336 HydrophobicContact CB-CB 4.47Å; I30-L336 HydrophobicContact CB-CD1 4.09Å; I30-L336 HydrophobicContact CD1-CD1 4.43Å; I30-L336 HydrophobicContact CG2-CB 3.61Å; I30-L336 HydrophobicContact CG2-CD1 4.06Å; I38-L336 HydrophobicContact CG2-CD2 4.1Å; V332-L336 HydrophobicContact CG1-CD1 3.71Å; V332-L336 HydrophobicContact CG1-CG 4.33Å; V332-L336 WeakPolarHBondContact O-CB 3.42Å; V332-L336 WeakPolarHBondContact O-CG 3.16Å; V332-L336 PolarHBondContact O-N 2.86Å; E334-L336 PolarHBondContact O-N 3.28Å
337	L	98.2	Very high	97.8	Very high	21 Å²	21	56.7 Å²	56.7	11%	0.11	30%	0.303	C	S	.	.	H	α-helix	trans	-105.6	-16	-178.4	-62.5	170.8	0	0	0	113.2	I30 T34 A309 L310 A333 V339 V358	I30-L337 HydrophobicContact CD1-CD1 4.17Å; I30-L337 HydrophobicContact CD1-CG 4.43Å; I30-L337 HydrophobicContact CG1-CD1 4.39Å; I30-L337 HydrophobicContact CG2-CD1 4.46Å; I30-L337 HydrophobicContact CG2-CD2 3.71Å; I30-L337 HydrophobicContact CG2-CG 3.87Å; T34-L337 HydrophobicContact CG2-CD2 3.57Å; A309-L337 HydrophobicContact CB-CD1 3.56Å; L310-L337 HydrophobicContact CD2-CD1 3.92Å; L310-L337 HydrophobicContact CD2-CD2 3.99Å; L310-L337 HydrophobicContact CG-CD1 4.19Å; A333-L337 VanDerWaalsContact O-CB 3.24Å; A333-L337 WeakPolarHBondContact O-CB 3.11Å; A333-L337 PolarHBondContact O-N 3.49Å; L337-V339 HydrophobicContact CB-CG1 4.21Å; L337-V339 HydrophobicContact CB-CG2 4.39Å; L337-V339 PolarHBondContact O-N 3.22Å; L337-V358 HydrophobicContact CB-CG1 4.06Å
338	G	97.3	Very high	97.6	Very high	70 Å²	70	55.1 Å²	55.1	72%	0.722	30%	0.299	S	S	*	.			trans	70.4	17.3	-176.4	0	0	0	0	0	113.6	E334	E334-G338 VanDerWaalsContact O-CA 3.27Å; E334-G338 WeakPolarHBondContact O-CA 3.25Å; E334-G338 PolarHBondContact O-N 3.32Å
339	V	98.3	Very high	97.5	Very high	15 Å²	15	61.9 Å²	61.9	9%	0.091	33%	0.33	C	S	.	.			trans	-76.3	167.8	169.7	-62.7	0	0	0	0	110.4	A309 A333 E334 L337 F341 V358	A309-V339 HydrophobicContact CB-CG1 4.46Å; A309-V339 HydrophobicContact CB-CG2 3.93Å; A333-V339 HydrophobicContact CB-CG2 4.47Å; E334-V339 WeakPolarHBondContact CA-O 3.44Å; E334-V339 WeakPolarHBondContact CB-O 3.27Å; E334-V339 HydrophobicContact CG-CG2 4.47Å; E334-V339 WeakPolarHBondContact CG-O 3.39Å; L337-V339 HydrophobicContact CB-CG1 4.21Å; L337-V339 HydrophobicContact CB-CG2 4.39Å; L337-V339 PolarHBondContact O-N 3.22Å; V339-F341 HydrophobicContact CG2-CD2 4.12Å; V339-F341 HydrophobicContact CG2-CE2 3.73Å; V339-V358 HydrophobicContact CG1-CG1 3.3Å
340	K	98.4	Very high	97.4	Very high	151 Å²	151	61.9 Å²	61.9	66%	0.657	33%	0.331	S	S	*	.			trans	-124.7	132.3	168.6	-170.7	175.8	-180	-174.4	0	109.4	E334	E334-K340 WeakPolarHBondContact OE1-CA 3.48Å
341	F	98.8	Very high	97.4	Very high	14 Å²	14	61.3 Å²	61.3	6%	0.061	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.4	169.7	-78.8	-96	0	0	0	109.6	I305 M308 A309 I330 A333 E334 V339 I353 S354 C355	I305-F341 HydrophobicContact CB-CZ 4.47Å; I305-F341 HydrophobicContact CD1-CD1 4.37Å; I305-F341 HydrophobicContact CD1-CE1 3.94Å; I305-F341 HydrophobicContact CG2-CE1 3.97Å; I305-F341 HydrophobicContact CG2-CE2 3.94Å; I305-F341 HydrophobicContact CG2-CZ 3.55Å; I305-F341 WeakPolarHBondContact O-CZ 3.49Å; M308-F341 HydrophobicContact CB-CE1 4.35Å; M308-F341 HydrophobicContact CB-CZ 4.42Å; M308-F341 HydrophobicContact CE-CE1 4.2Å; A309-F341 HydrophobicContact CB-CE2 4.03Å; A309-F341 HydrophobicContact CB-CZ 3.98Å; I330-F341 HydrophobicContact CB-CD2 4.49Å; I330-F341 HydrophobicContact CB-CG 4.49Å; I330-F341 HydrophobicContact CD1-CB 4.35Å; I330-F341 HydrophobicContact CD1-CG 4.48Å; I330-F341 HydrophobicContact CG1-CB 4.25Å; I330-F341 HydrophobicContact CG1-CD1 4.15Å; I330-F341 HydrophobicContact CG1-CD2 4.33Å; I330-F341 HydrophobicContact CG1-CG 3.98Å; I330-F341 HydrophobicContact CG2-CB 3.71Å; I330-F341 HydrophobicContact CG2-CD2 3.99Å; I330-F341 HydrophobicContact CG2-CG 3.98Å; A333-F341 HydrophobicContact CB-CE2 3.86Å; E334-F341 HydrophobicContact CG-CD2 3.91Å; E334-F341 PolarHBondContact OE1-N 3.21Å; V339-F341 HydrophobicContact CG2-CD2 4.12Å; V339-F341 HydrophobicContact CG2-CE2 3.73Å; F341-I353 HydrophobicContact CD1-CG2 3.57Å; F341-I353 HydrophobicContact CE1-CG2 4.15Å; F341-S354 WeakPolarHBondContact CA-O 3.25Å; F341-C355 HydrophobicContact CD1-CB 3.57Å; F341-C355 HydrophobicContact CD2-CB 4.33Å; F341-C355 HydrophobicContact CE1-CB 3.37Å; F341-C355 HydrophobicContact CE2-CB 4.16Å; F341-C355 HydrophobicContact CG-CB 4.05Å; F341-C355 HydrophobicContact CZ-CB 3.66Å
342	E	98.6	Very high	97.5	Very high	116 Å²	116	60.1 Å²	60.1	54%	0.542	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.8	170.8	-67	177.6	175.6	0	0	108.5	I353 S354	E342-I353 CarbonylContact O-C 3.46Å; E342-I353 WeakPolarHBondContact O-CA 3.23Å; E342-S354 PolarHBondContact N-O 2.81Å; E342-S354 PolarHBondContact O-N 3.26Å
343	V	98.6	Very high	97.6	Very high	62 Å²	62	60.1 Å²	60.1	38%	0.376	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	115.2	-179.2	-176.5	0	0	0	0	108.2	L322 I330 I352 I353	L322-V343 HydrophobicContact CD1-CG1 3.6Å; L322-V343 HydrophobicContact CD2-CB 4.47Å; L322-V343 HydrophobicContact CD2-CG1 3.87Å; L322-V343 HydrophobicContact CD2-CG2 3.83Å; L322-V343 HydrophobicContact CG-CG1 4.39Å; I330-V343 HydrophobicContact CD1-CG2 4.23Å; V343-I352 WeakPolarHBondContact CA-O 3.32Å; V343-I353 HydrophobicContact CG2-CG1 4.4Å
344	T	98.3	Very high	97.6	Very high	78 Å²	78	60.6 Å²	60.6	48%	0.479	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.7	175.7	-56.7	0	0	0	0	109.3	L346 S351 I352	T344-L346 HydrophobicContact CG2-CD2 4.24Å; T344-S351 CarbonylContact O-C 3.57Å; T344-S351 WeakPolarHBondContact O-CA 3.35Å; T344-I352 PolarHBondContact N-O 2.65Å; T344-I352 PolarHBondContact O-N 3.41Å
345	T	98	Very high	97.6	Very high	97 Å²	97	57.6 Å²	57.6	60%	0.595	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.5	170.4	-55.3	0	0	0	0	109.6	S350	T345-S350 WeakPolarHBondContact CA-O 3.49Å
346	L	96.7	Very high	97.6	Very high	51 Å²	51	58.9 Å²	58.9	27%	0.267	33%	0.325	S	S	.	.			trans	-94.6	169.2	178.7	-55.3	-173.6	0	0	0	111	T344 D348 E349 S350 I352	T344-L346 HydrophobicContact CG2-CD2 4.24Å; L346-D348 WeakPolarHBondContact CB-OD1 3.44Å; L346-D348 PolarHBondContact O-N 3.18Å; L346-E349 PolarHBondContact O-N 3.4Å; L346-S350 PolarHBondContact N-O 3.01Å; L346-I352 HydrophobicContact CD1-CD1 4.08Å; L346-I352 HydrophobicContact CD1-CG1 4.12Å; L346-I352 HydrophobicContact CD2-CD1 4.18Å; L346-I352 HydrophobicContact CD2-CG1 4.48Å; L346-I352 HydrophobicContact CG-CG1 4.44Å
347	N	94.5	Very high	97.7	Very high	179 Å²	179	58.7 Å²	58.7	96%	0.957	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-20.9	-177.7	-67.5	-16.1	0	0	0	114.3	E349	N347-E349 VanDerWaalsContact C-N 3.29Å
348	D	93.7	Very high	97.7	Very high	62 Å²	62	60.8 Å²	60.8	33%	0.332	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	17.3	177.2	67.1	-6	0	0	0	112.9	T292 R318 L346 S350	T292-D348 HydrophobicContact CG2-CB 4.43Å; T292-D348 WeakPolarHBondContact CG2-OD2 3.19Å; R318-D348 IonicContact CZ-OD2 3.66Å; R318-D348 IonicContact NH2-OD1 3.37Å; R318-D348 IonicContact NH2-OD2 2.97Å; R318-D348 PolarHBondContact NH2-OD2 3.32Å; L346-D348 WeakPolarHBondContact CB-OD1 3.44Å; L346-D348 PolarHBondContact O-N 3.18Å; D348-S350 PolarHBondContact O-N 3.05Å; D348-S350 VanDerWaalsContact OD1-CB 3.27Å; D348-S350 WeakPolarHBondContact OD1-CB 3.45Å; D348-S350 PolarHBondContact OD1-N 3.34Å; D348-S350 VanDerWaalsContact OD1-N 3.07Å; D348-S350 PolarHBondContact OD1-OG 3.48Å; D348-S350 PolarHBondContact OD2-OG 3.35Å
349	E	93.5	Very high	97.7	Very high	142 Å²	142	58.2 Å²	58.2	66%	0.664	31%	0.313	S	S	*	.	S	Bend	trans	65.6	-0.7	-177.8	-51.5	-176.7	164	0	0	115.2	L346 N347	L346-E349 PolarHBondContact O-N 3.4Å; N347-E349 VanDerWaalsContact C-N 3.29Å
350	S	97.4	Very high	97.7	Very high	1 Å²	1	60 Å²	60	1%	0.007	32%	0.318	C	S	.	.			trans	-69	161.3	168	72	0	0	0	0	111	R318 C319 T345 L346 D348	R318-S350 PolarHBondContact NE-OG 3.09Å; R318-S350 VanDerWaalsContact NE-OG 3.08Å; C319-S350 CarbonylContact O-C 3.54Å; C319-S350 WeakPolarHBondContact O-CA 3.34Å; C319-S350 VanDerWaalsContact O-CB 3.24Å; C319-S350 WeakPolarHBondContact O-CB 3.28Å; T345-S350 WeakPolarHBondContact CA-O 3.49Å; L346-S350 PolarHBondContact N-O 3.01Å; D348-S350 PolarHBondContact O-N 3.05Å; D348-S350 VanDerWaalsContact OD1-CB 3.27Å; D348-S350 WeakPolarHBondContact OD1-CB 3.45Å; D348-S350 PolarHBondContact OD1-N 3.34Å; D348-S350 VanDerWaalsContact OD1-N 3.07Å; D348-S350 PolarHBondContact OD1-OG 3.48Å; D348-S350 PolarHBondContact OD2-OG 3.35Å
351	S	98.5	Very high	97.6	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138	179.6	-63.5	0	0	0	0	111	R318 C319 L322 T344	R318-S351 WeakPolarHBondContact CA-O 3.37Å; C319-S351 PolarHBondContact N-O 2.84Å; C319-S351 PolarHBondContact O-N 3.41Å; C319-S351 PolarHBondContact SG-O 3.17Å; L322-S351 VanDerWaalsContact CD1-CB 3.48Å; T344-S351 CarbonylContact O-C 3.57Å; T344-S351 WeakPolarHBondContact O-CA 3.35Å
352	I	98.6	Very high	97.5	Very high	37 Å²	37	54.1 Å²	54.1	19%	0.19	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120	164.8	-62.3	175.6	0	0	0	107.6	L189 I317 R318 V343 T344 L346	L189-I352 HydrophobicContact CD2-CD1 4.16Å; L189-I352 HydrophobicContact CD2-CG1 4.28Å; L189-I352 HydrophobicContact CD2-CG2 3.95Å; I317-I352 CarbonylContact O-C 3.55Å; I317-I352 WeakPolarHBondContact O-CA 3.38Å; R318-I352 HydrophobicContact CB-CG1 4.4Å; R318-I352 HydrophobicContact CG-CG1 4.4Å; V343-I352 WeakPolarHBondContact CA-O 3.32Å; T344-I352 PolarHBondContact N-O 2.65Å; T344-I352 PolarHBondContact O-N 3.41Å; L346-I352 HydrophobicContact CD1-CD1 4.08Å; L346-I352 HydrophobicContact CD1-CG1 4.12Å; L346-I352 HydrophobicContact CD2-CD1 4.18Å; L346-I352 HydrophobicContact CD2-CG1 4.48Å; L346-I352 HydrophobicContact CG-CG1 4.44Å
353	I	98.8	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	124.1	172	-57.5	174.4	0	0	0	107.4	Q301 I305 M308 Q316 I317 L322 T326 I330 F341 E342 V343	Q301-I353 HydrophobicContact CG-CD1 4.11Å; I305-I353 HydrophobicContact CD1-CD1 4.3Å; I305-I353 HydrophobicContact CD1-CG2 4.02Å; M308-I353 HydrophobicContact CE-CG2 4.38Å; Q316-I353 CarbonylContact C-O 3.57Å; Q316-I353 VanDerWaalsContact CA-O 3.32Å; Q316-I353 WeakPolarHBondContact CA-O 3.35Å; I317-I353 HydrophobicContact CG1-CB 3.93Å; I317-I353 PolarHBondContact N-O 2.93Å; I317-I353 PolarHBondContact O-N 3.26Å; L322-I353 HydrophobicContact CD1-CD1 3.88Å; L322-I353 HydrophobicContact CD1-CG1 3.99Å; L322-I353 HydrophobicContact CD2-CD1 4.44Å; L322-I353 HydrophobicContact CG-CD1 4.08Å; T326-I353 HydrophobicContact CG2-CD1 3.7Å; I330-I353 HydrophobicContact CD1-CG2 4.39Å; F341-I353 HydrophobicContact CD1-CG2 3.57Å; F341-I353 HydrophobicContact CE1-CG2 4.15Å; E342-I353 CarbonylContact O-C 3.46Å; E342-I353 WeakPolarHBondContact O-CA 3.23Å; V343-I353 HydrophobicContact CG2-CG1 4.4Å
354	S	98.8	Very high	97	Very high	10 Å²	10	51 Å²	51	7%	0.07	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.3	177.6	49.1	0	0	0	0	112.8	S315 F341 E342	S315-S354 CarbonylContact O-C 3.54Å; S315-S354 VanDerWaalsContact O-CA 3.24Å; S315-S354 WeakPolarHBondContact O-CA 2.95Å; F341-S354 WeakPolarHBondContact CA-O 3.25Å; E342-S354 PolarHBondContact N-O 2.81Å; E342-S354 PolarHBondContact O-N 3.26Å
355	C	98.8	Very high	96.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	129.8	177.6	-176	0	0	0	0	110.6	N314 S315 F341 G357	N314-C355 WeakPolarHBondContact CA-O 3.31Å; N314-C355 PolarHBondContact OD1-O 3.02Å; S315-C355 PolarHBondContact N-O 2.66Å; S315-C355 PolarHBondContact O-N 3.48Å; F341-C355 HydrophobicContact CD1-CB 3.57Å; F341-C355 HydrophobicContact CD2-CB 4.33Å; F341-C355 HydrophobicContact CE1-CB 3.37Å; F341-C355 HydrophobicContact CE2-CB 4.16Å; F341-C355 HydrophobicContact CG-CB 4.05Å; F341-C355 HydrophobicContact CZ-CB 3.66Å; C355-G357 PolarHBondContact O-N 3.2Å
356	N	98.7	Very high	96.4	Very high	113 Å²	113	48.7 Å²	48.7	60%	0.604	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	102.3	162.7	-170.7	17.7	0	0	0	108.5	G313	G313-N356 PolarHBondContact O-OD1 3.29Å
357	G	98.7	Very high	95.1	Very high	9 Å²	9	52 Å²	52	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	160.7	-175.4	0	0	0	0	0	112.7	M308 A309 A311 G313 C355 G359	M308-G357 WeakPolarHBondContact O-CA 3.4Å; A309-G357 CarbonylContact O-C 3.47Å; A309-G357 VanDerWaalsContact O-CA 3.28Å; A309-G357 WeakPolarHBondContact O-CA 3.24Å; A311-G357 CarbonylContact O-C 3.55Å; A311-G357 WeakPolarHBondContact O-CA 3.49Å; G313-G357 PolarHBondContact O-N 3.34Å; C355-G357 PolarHBondContact O-N 3.2Å; G357-G359 PolarHBondContact O-N 3.43Å
358	V	98.3	Very high	93.5	Very high	64 Å²	64	47.4 Å²	47.4	39%	0.388	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	-10.8	-177.5	-56.1	0	0	0	0	113.7	A309 L337 V339 Y360	A309-V358 PolarHBondContact O-N 3.04Å; L337-V358 HydrophobicContact CB-CG1 4.06Å; V339-V358 HydrophobicContact CG1-CG1 3.3Å; V358-Y360 VanDerWaalsContact C-N 3.35Å; V358-Y360 PolarHBondContact O-N 3.39Å
359	G	97.8	Very high	91.3	Very high	16 Å²	16	50.2 Å²	50.2	17%	0.165	28%	0.277	C	S	.	.			trans	59.7	42.5	-174.2	0	0	0	0	0	113.2	L310 A311 K312 G357 T361	L310-G359 PolarHBondContact O-N 3.5Å; A311-G359 WeakPolarHBondContact O-CA 3.47Å; A311-G359 PolarHBondContact O-N 2.96Å; K312-G359 VanDerWaalsContact CA-CA 3.5Å; G357-G359 PolarHBondContact O-N 3.43Å; G359-T361 PolarHBondContact O-N 3.47Å; G359-T361 VanDerWaalsContact O-N 3.1Å; G359-T361 PolarHBondContact O-OG1 2.8Å
360	Y	97.9	Very high	88.7	Confident	53 Å²	53	50.6 Å²	50.6	21%	0.208	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63	119.1	-176	-160.1	-98.6	0	0	0	108.9	I33 T34 F116 L310 V358	I33-Y360 HydrophobicContact CG2-CD1 3.61Å; I33-Y360 HydrophobicContact CG2-CE1 3.78Å; I33-Y360 HydrophobicContact CG2-CG 4.42Å; I33-Y360 WeakPolarHBondContact O-CE1 3.35Å; I33-Y360 PolarHBondContact O-OH 2.95Å; T34-Y360 HydrophobicContact CG2-CD2 4.47Å; T34-Y360 HydrophobicContact CG2-CE2 4.23Å; F116-Y360 AromaticContact CD1-CD1 3.93Å; F116-Y360 HydrophobicContact CD1-CD1 3.93Å; F116-Y360 HydrophobicContact CD1-CE1 4.43Å; F116-Y360 AromaticContact CE1-CD1 3.61Å; F116-Y360 HydrophobicContact CE1-CD1 3.61Å; F116-Y360 HydrophobicContact CE1-CG 4.43Å; F116-Y360 WeakPolarHBondContact CE1-O 3.44Å; L310-Y360 HydrophobicContact CD2-CG 4.5Å; L310-Y360 PolarHBondContact O-N 3.22Å; V358-Y360 VanDerWaalsContact C-N 3.35Å; V358-Y360 PolarHBondContact O-N 3.39Å
361	T	97.1	Very high	88.3	Confident	40 Å²	40	53.1 Å²	53.1	25%	0.245	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-97.4	123.8	-176.3	-60	0	0	0	0	109.4	P182 G359 L365 K366	P182-T361 HydrophobicContact CG-CG2 4.03Å; P182-T361 WeakPolarHBondContact CG-OG1 3.44Å; G359-T361 PolarHBondContact O-N 3.47Å; G359-T361 VanDerWaalsContact O-N 3.1Å; G359-T361 PolarHBondContact O-OG1 2.8Å; T361-L365 HydrophobicContact CG2-CB 4.03Å; T361-K366 HydrophobicContact CG2-CG 3.94Å; T361-K366 WeakPolarHBondContact O-CE 3.43Å
362	P	95.5	Very high	87.8	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.013	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-51.4	143.5	170.9	-22.9	28.2	0	0	0	112.2	F116 L179 H364 L365 K366	F116-P362 HydrophobicContact CD1-CB 4.08Å; F116-P362 HydrophobicContact CD1-CG 3.62Å; F116-P362 HydrophobicContact CE1-CG 3.88Å; F116-P362 HydrophobicContact CG-CG 4.3Å; L179-P362 HydrophobicContact CB-CG 3.9Å; L179-P362 HydrophobicContact CD1-CG 3.89Å; P362-H364 VanDerWaalsContact C-N 3.33Å; P362-H364 WeakPolarHBondContact CB-CE1 2.97Å; P362-H364 WeakPolarHBondContact CB-ND1 3.44Å; P362-H364 PolarHBondContact O-N 3.45Å; P362-L365 HydrophobicContact CB-CD1 4.28Å; P362-L365 HydrophobicContact CB-CG 4.22Å; P362-L365 HydrophobicContact CG-CD1 3.93Å; P362-L365 HydrophobicContact CG-CG 4.42Å; P362-L365 PolarHBondContact O-N 3.37Å; P362-L365 VanDerWaalsContact O-N 3.09Å; P362-K366 PolarHBondContact O-N 2.84Å
363	E	93.8	Very high	87.2	Confident	60 Å²	60	56.8 Å²	56.8	28%	0.28	33%	0.332	S	S	.	.	H	α-helix	trans	-65.4	-35.7	-173.5	-66.5	-174.3	153.4	0	0	113.3	K35 Q87 L365 K366	K35-E363 VanDerWaalsContact CE-OE1 3.3Å; K35-E363 WeakPolarHBondContact CE-OE1 3.42Å; K35-E363 IonicContact NZ-OE1 2.74Å; K35-E363 PolarHBondContact NZ-OE1 3.37Å; K35-E363 IonicContact NZ-OE2 3.14Å; K35-E363 PolarHBondContact NZ-OE2 3.36Å; Q87-E363 PolarHBondContact NE2-OE2 3.09Å; Q87-E363 PolarHBondContact OE1-OE2 3.3Å; Q87-E363 VanDerWaalsContact OE1-OE2 3.05Å; E363-L365 PolarHBondContact O-N 2.68Å; E363-K366 PolarHBondContact O-N 2.94Å; E363-K366 VanDerWaalsContact O-N 3.08Å
364	H	93.4	Very high	86.5	Confident	51 Å²	51	60.1 Å²	60.1	24%	0.236	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-20.9	177	65.6	-80.7	0	0	0	113	A117 L179 P362	A117-H364 PolarHBondContact O-CE1 3.36Å; A117-H364 PolarHBondContact O-ND1 2.9Å; L179-H364 PolarHBondContact O-NE2 2.95Å; P362-H364 VanDerWaalsContact C-N 3.33Å; P362-H364 WeakPolarHBondContact CB-CE1 2.97Å; P362-H364 WeakPolarHBondContact CB-ND1 3.44Å; P362-H364 PolarHBondContact O-N 3.45Å
365	L	94.2	Very high	85.7	Confident	24 Å²	24	63.3 Å²	63.3	13%	0.126	37%	0.37	C	S	.	.	H	α-helix	trans	-88.6	-17.1	176.1	-59.6	-176.5	0	0	0	113.4	K180 E181 T361 P362 E363 S368	K180-L365 WeakPolarHBondContact O-CD2 3.1Å; E181-L365 VanDerWaalsContact CA-CD1 3.49Å; T361-L365 HydrophobicContact CG2-CB 4.03Å; P362-L365 HydrophobicContact CB-CD1 4.28Å; P362-L365 HydrophobicContact CB-CG 4.22Å; P362-L365 HydrophobicContact CG-CD1 3.93Å; P362-L365 HydrophobicContact CG-CG 4.42Å; P362-L365 PolarHBondContact O-N 3.37Å; P362-L365 VanDerWaalsContact O-N 3.09Å; E363-L365 PolarHBondContact O-N 2.68Å; L365-S368 WeakPolarHBondContact CA-OG 2.86Å; L365-S368 PolarHBondContact O-OG 3.47Å
366	K	90.1	Very high	84.8	Confident	104 Å²	104	67.3 Å²	67.3	45%	0.452	39%	0.393	S	S	.	.	H	α-helix	trans	-72.1	-35.4	175.5	-64.4	178.4	-175.8	167.7	0	111.2	T361 P362 E363 S368	T361-K366 HydrophobicContact CG2-CG 3.94Å; T361-K366 WeakPolarHBondContact O-CE 3.43Å; P362-K366 PolarHBondContact O-N 2.84Å; E363-K366 PolarHBondContact O-N 2.94Å; E363-K366 VanDerWaalsContact O-N 3.08Å; K366-S368 VanDerWaalsContact C-N 3.33Å
367	N	70.2	Confident	83.9	Confident	120 Å²	120	64.1 Å²	64.1	64%	0.642	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-12.6	-177.2	-62.9	-13.2	0	0	0	113.5	C369 S370	N367-C369 VanDerWaalsContact C-N 3.35Å; N367-S370 PolarHBondContact O-OG 3.35Å
368	S	59.6	Low	82.7	Confident	83 Å²	83	68.3 Å²	68.3	58%	0.58	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.7	175.9	43.7	0	0	0	0	113.9	L365 K366	L365-S368 WeakPolarHBondContact CA-OG 2.86Å; L365-S368 PolarHBondContact O-OG 3.47Å; K366-S368 VanDerWaalsContact C-N 3.33Å
369	C	47.2	Very low	81.4	Confident	120 Å²	120	68.7 Å²	68.7	81%	0.811	40%	0.401	S	S	*	.			trans	-103.2	1.7	178	-65.2	0	0	0	0	113.8	N367	N367-C369 VanDerWaalsContact C-N 3.35Å
370	S	40.2	Very low	79.9	Confident	151 Å²	151	73.5 Å²	73.5	100%	1.056	42%	0.423	S	S	*	.			trans	-103.6	0	169.8	56.6	0	0	0	0	109.9	N367	N367-S370 PolarHBondContact O-OG 3.35Å

Retrieved 370 of 370 residues in 133.8 ms (Link to these results)

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