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Peroxisomal coenzyme A diphosphatase NUDT7

Fatty acyl-coenzyme A (CoA) diphosphatase that hydrolyzes fatty acyl-CoA to yield acyl-4'-phosphopantetheine and adenosine 3',5'-bisphosphate^1,2,3. Cleaves CoA, CoA esters and oxidized CoA with similar efficiencies⁴. Preferentially hydrolyzes medium-chain acyl-CoAs and bile acid-CoAs⁵. Has no activity toward NDP-sugars, CDP-alcohols, (deoxy)nucleoside 5'-triphosphates, nucleoside 5'-di or monophosphates, diadenosine polyphosphates, NAD, NADH, NADP, NADPH or thymidine-5'-monophospho-p-nitrophenyl ester⁶. May be required to eliminate oxidized CoA from peroxisomes, or regulate CoA and acyl-CoA levels in this organelle in response to metabolic demand⁷. Does not play a role in U8 snoRNA decapping activity⁸. Binds U8 snoRNA⁹. Exhibits decapping activity towards dpCoA-capped RNAs in vitro¹⁰.

AlphaFold DB , UniProt , Accession Q99P30, Species MOUSE (Mus musculus, Mouse), Gene Nudt7, Length 236 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	52.8	Low	244 Å²	244	122.1 Å²	122.1	100%	1.202	70%	0.696	S	S	*	*				0	96.5	0	-69.7	-175.6	-179.2	0	0	107.9	R3	M1-R3 PolarHBondContact O-N 3.41Å
2	S	40.5	Very low	53.7	Low	124 Å²	124	116.1 Å²	116.1	87%	0.867	65%	0.654	S	S	*	*			trans	-79.1	112.1	175.4	-51.3	0	0	0	0	107.4
3	R	41.7	Very low	55.3	Low	232 Å²	232	112.3 Å²	112.3	88%	0.875	63%	0.631	S	S	*	*			trans	-59.3	134.5	167.1	-84.2	-179	171.5	-177.5	-3.2	107.5	M1 C5	M1-R3 PolarHBondContact O-N 3.41Å; R3-C5 PolarHBondContact O-N 3.49Å
4	P	46.6	Very low	57.5	Low	128 Å²	128	111.5 Å²	111.5	83%	0.831	63%	0.625	S	S	*	*			trans	-63.4	112.5	165	17.6	-11.4	0	0	0	105.6	G6	P4-G6 PolarHBondContact O-N 2.82Å
5	C	45.7	Very low	59.7	Low	129 Å²	129	107.6 Å²	107.6	87%	0.872	60%	0.602	S	S	*	*			trans	-70.1	86.2	175.7	-156.5	0	0	0	0	106.5	R3	R3-C5 PolarHBondContact O-N 3.49Å
6	G	54.8	Low	61.9	Low	52 Å²	52	102.4 Å²	102.4	54%	0.536	57%	0.572	S	S	.	*	P	Polyproline II helix	trans	-60.1	145.6	165.5	0	0	0	0	0	108.6	P4	P4-G6 PolarHBondContact O-N 2.82Å
7	L	56.2	Low	63.9	Low	73 Å²	73	101.3 Å²	101.3	38%	0.382	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-56	151.3	173.3	-82.8	172.6	0	0	0	110.4	E9 V11	L7-E9 PolarHBondContact O-N 3.48Å; L7-V11 HydrophobicContact CB-CB 4.45Å; L7-V11 HydrophobicContact CD1-CB 4.13Å; L7-V11 HydrophobicContact CD1-CG1 3.74Å; L7-V11 HydrophobicContact CD2-CB 4.42Å; L7-V11 HydrophobicContact CD2-CG1 4.29Å
8	P	59.9	Low	65.7	Low	83 Å²	83	100.8 Å²	100.8	54%	0.539	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-54.6	131.8	166.1	-2.4	10.3	0	0	0	108.5	P10 V11	P8-P10 VanDerWaalsContact O-CD 3.28Å; P8-P10 WeakPolarHBondContact O-CD 3.5Å; P8-V11 PolarHBondContact O-N 2.98Å
9	E	63.4	Low	67.4	Low	119 Å²	119	95.6 Å²	95.6	56%	0.556	53%	0.532	S	S	*	.	H	α-helix	trans	-36.6	-41.8	179.7	-76.4	-109.3	131.9	0	0	115.2	L7 V11 R12 N13	L7-E9 PolarHBondContact O-N 3.48Å; E9-V11 PolarHBondContact O-N 2.95Å; E9-R12 PolarHBondContact O-N 3.47Å; E9-N13 WeakPolarHBondContact O-CB 3.28Å; E9-N13 VanDerWaalsContact O-CG 3.23Å; E9-N13 PolarHBondContact O-N 2.99Å; E9-N13 PolarHBondContact O-ND2 3.27Å
10	P	66.4	Low	68.9	Low	84 Å²	84	91.8 Å²	91.8	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-59.2	-39.9	180	-23.6	33.2	0	0	0	114.7	P8 N13 N14	P8-P10 VanDerWaalsContact O-CD 3.28Å; P8-P10 WeakPolarHBondContact O-CD 3.5Å; P10-N13 PolarHBondContact O-N 3.08Å; P10-N14 PolarHBondContact O-N 3.29Å; P10-N14 VanDerWaalsContact O-N 3.08Å
11	V	66.8	Low	70.3	Confident	75 Å²	75	89.5 Å²	89.5	46%	0.455	50%	0.502	S	S	.	.	H	α-helix	trans	-72.3	-38.2	-177.8	-175.9	0	0	0	0	110.3	L7 P8 E9 L15	L7-V11 HydrophobicContact CB-CB 4.45Å; L7-V11 HydrophobicContact CD1-CB 4.13Å; L7-V11 HydrophobicContact CD1-CG1 3.74Å; L7-V11 HydrophobicContact CD2-CB 4.42Å; L7-V11 HydrophobicContact CD2-CG1 4.29Å; P8-V11 PolarHBondContact O-N 2.98Å; E9-V11 PolarHBondContact O-N 2.95Å; V11-L15 PolarHBondContact O-N 2.85Å; V11-L15 VanDerWaalsContact O-N 3.17Å
12	R	63.3	Low	73	Confident	50 Å²	50	81.2 Å²	81.2	19%	0.189	46%	0.458	C	S	.	.	H	α-helix	trans	-62.5	-46	174.7	-177.9	-172	-175	170.5	11.2	111.2	E9 N14 L15 I16 A48	E9-R12 PolarHBondContact O-N 3.47Å; R12-N14 VanDerWaalsContact C-N 3.35Å; R12-L15 PolarHBondContact O-N 3.34Å; R12-I16 HydrophobicContact CG-CD1 4.06Å; R12-I16 WeakPolarHBondContact O-CG1 3.46Å; R12-I16 PolarHBondContact O-N 3.27Å; R12-I16 VanDerWaalsContact O-N 3.11Å; R12-A48 HydrophobicContact CG-CB 4.29Å; R12-A48 PolarHBondContact NH2-O 2.84Å
13	N	74.7	Confident	75.8	Confident	67 Å²	67	75.3 Å²	75.3	36%	0.358	42%	0.417	S	S	.	.	H	α-helix	trans	-62.6	-43.7	-179.5	-68.4	-10.7	0	0	0	110.7	E9 P10 L15 I16 D17	E9-N13 WeakPolarHBondContact O-CB 3.28Å; E9-N13 VanDerWaalsContact O-CG 3.23Å; E9-N13 PolarHBondContact O-N 2.99Å; E9-N13 PolarHBondContact O-ND2 3.27Å; P10-N13 PolarHBondContact O-N 3.08Å; N13-L15 PolarHBondContact O-N 3.13Å; N13-I16 PolarHBondContact O-N 3.28Å; N13-D17 WeakPolarHBondContact O-CB 3.45Å; N13-D17 PolarHBondContact O-N 2.97Å
14	N	85.5	Confident	78.4	Confident	101 Å²	101	70.7 Å²	70.7	54%	0.54	40%	0.399	S	S	.	.	H	α-helix	trans	-57.8	-45.1	174.7	-74.5	-3.9	0	0	0	113.2	P10 R12 I16 D17 D18	P10-N14 PolarHBondContact O-N 3.29Å; P10-N14 VanDerWaalsContact O-N 3.08Å; R12-N14 VanDerWaalsContact C-N 3.35Å; N14-I16 PolarHBondContact O-N 2.57Å; N14-D17 PolarHBondContact O-N 2.84Å; N14-D18 WeakPolarHBondContact O-CB 3.28Å; N14-D18 VanDerWaalsContact O-CG 3.31Å; N14-D18 PolarHBondContact O-N 3.11Å
15	L	91.3	Very high	80.8	Confident	53 Å²	53	72.8 Å²	72.8	28%	0.277	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-44.1	178.3	176.5	66.6	0	0	0	112.2	V11 R12 N13 A19 L53	V11-L15 PolarHBondContact O-N 2.85Å; V11-L15 VanDerWaalsContact O-N 3.17Å; R12-L15 PolarHBondContact O-N 3.34Å; N13-L15 PolarHBondContact O-N 3.13Å; L15-A19 VanDerWaalsContact O-CB 3.31Å; L15-A19 WeakPolarHBondContact O-CB 3.4Å; L15-A19 PolarHBondContact O-N 3.1Å; L15-A19 VanDerWaalsContact O-N 3.17Å; L15-L53 HydrophobicContact CD1-CD1 4.4Å; L15-L53 HydrophobicContact CD1-CG 4.37Å; L15-L53 HydrophobicContact CD2-CD2 4.1Å; L15-L53 HydrophobicContact CD2-CG 4.03Å; L15-L53 HydrophobicContact CG-CD1 4.45Å; L15-L53 HydrophobicContact CG-CD2 4.24Å; L15-L53 HydrophobicContact CG-CG 4.13Å
16	I	95.1	Very high	83.1	Confident	24 Å²	24	67.3 Å²	67.3	12%	0.123	36%	0.358	C	S	.	.	H	α-helix	trans	-67.6	-44.4	178.8	-67.7	173.7	0	0	0	110.1	R12 N13 N14 A19 K20 A48 F127	R12-I16 HydrophobicContact CG-CD1 4.06Å; R12-I16 WeakPolarHBondContact O-CG1 3.46Å; R12-I16 PolarHBondContact O-N 3.27Å; R12-I16 VanDerWaalsContact O-N 3.11Å; N13-I16 PolarHBondContact O-N 3.28Å; N14-I16 PolarHBondContact O-N 2.57Å; I16-A19 PolarHBondContact O-N 3.48Å; I16-K20 HydrophobicContact CG2-CD 3.85Å; I16-K20 HydrophobicContact CG2-CG 4.25Å; I16-K20 WeakPolarHBondContact O-CB 3.33Å; I16-K20 VanDerWaalsContact O-CG 3.24Å; I16-K20 WeakPolarHBondContact O-CG 3.36Å; I16-K20 PolarHBondContact O-N 2.93Å; I16-A48 HydrophobicContact CD1-CB 3.76Å; I16-A48 HydrophobicContact CG1-CB 3.82Å; I16-F127 HydrophobicContact CB-CD1 4.48Å; I16-F127 HydrophobicContact CB-CE1 4.28Å; I16-F127 HydrophobicContact CG1-CD1 4.13Å; I16-F127 HydrophobicContact CG1-CE1 4.05Å; I16-F127 HydrophobicContact CG2-CD1 3.84Å; I16-F127 HydrophobicContact CG2-CE1 3.93Å; I16-F127 HydrophobicContact CG2-CG 4.29Å; I16-F127 HydrophobicContact CG2-CZ 4.45Å
17	D	95.8	Very high	85.1	Confident	84 Å²	84	67.9 Å²	67.9	45%	0.449	35%	0.349	S	S	.	.	H	α-helix	trans	-65.7	-42.1	-177.3	-70.2	-26.4	0	0	0	112	N13 N14 K20 A21	N13-D17 WeakPolarHBondContact O-CB 3.45Å; N13-D17 PolarHBondContact O-N 2.97Å; N14-D17 PolarHBondContact O-N 2.84Å; D17-K20 PolarHBondContact O-N 3.35Å; D17-A21 WeakPolarHBondContact O-CB 3.46Å; D17-A21 PolarHBondContact O-N 3.46Å
18	D	95.8	Very high	87	Confident	93 Å²	93	65 Å²	65	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-45.5	174.3	-74.1	-19.7	0	0	0	111.3	N14 K20 A21 R22	N14-D18 WeakPolarHBondContact O-CB 3.28Å; N14-D18 VanDerWaalsContact O-CG 3.31Å; N14-D18 PolarHBondContact O-N 3.11Å; D18-K20 PolarHBondContact O-N 2.84Å; D18-A21 PolarHBondContact O-N 2.86Å; D18-R22 WeakPolarHBondContact O-CG 3.32Å; D18-R22 PolarHBondContact O-N 3.29Å
19	A	97.6	Very high	88.7	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-42.2	177.5	0	0	0	0	0	111.6	L15 I16 R22 L23 L53 F127 I203	L15-A19 VanDerWaalsContact O-CB 3.31Å; L15-A19 WeakPolarHBondContact O-CB 3.4Å; L15-A19 PolarHBondContact O-N 3.1Å; L15-A19 VanDerWaalsContact O-N 3.17Å; I16-A19 PolarHBondContact O-N 3.48Å; A19-R22 PolarHBondContact O-N 3.38Å; A19-L23 WeakPolarHBondContact O-CB 3.26Å; A19-L23 WeakPolarHBondContact O-CG 3.5Å; A19-L23 PolarHBondContact O-N 2.85Å; A19-L53 HydrophobicContact CB-CD1 3.86Å; A19-F127 HydrophobicContact CB-CE1 4.47Å; A19-F127 HydrophobicContact CB-CZ 3.69Å; A19-I203 HydrophobicContact CB-CD1 4.44Å; A19-I203 HydrophobicContact CB-CG1 4.36Å; A19-I203 HydrophobicContact CB-CG2 3.66Å
20	K	97.9	Very high	90.2	Very high	19 Å²	19	61.2 Å²	61.2	8%	0.083	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-44.2	173.9	-75.4	175.3	177.2	179.8	0	112	I16 D17 D18 R22 L23 R24 E105 V107 F127	I16-K20 HydrophobicContact CG2-CD 3.85Å; I16-K20 HydrophobicContact CG2-CG 4.25Å; I16-K20 WeakPolarHBondContact O-CB 3.33Å; I16-K20 VanDerWaalsContact O-CG 3.24Å; I16-K20 WeakPolarHBondContact O-CG 3.36Å; I16-K20 PolarHBondContact O-N 2.93Å; D17-K20 PolarHBondContact O-N 3.35Å; D18-K20 PolarHBondContact O-N 2.84Å; K20-R22 VanDerWaalsContact C-N 3.29Å; K20-R22 PolarHBondContact O-N 3.44Å; K20-L23 PolarHBondContact O-N 3.23Å; K20-R24 WeakPolarHBondContact O-CB 3.43Å; K20-R24 VanDerWaalsContact O-CG 3.29Å; K20-R24 WeakPolarHBondContact O-CG 3.24Å; K20-R24 PolarHBondContact O-N 3.37Å; K20-E105 VanDerWaalsContact CE-OE1 3.24Å; K20-E105 WeakPolarHBondContact CE-OE1 3.27Å; K20-E105 WeakPolarHBondContact CE-OE2 3.19Å; K20-E105 IonicContact NZ-OE1 2.57Å; K20-E105 PolarHBondContact NZ-OE1 3.17Å; K20-E105 IonicContact NZ-OE2 3.09Å; K20-E105 PolarHBondContact NZ-OE2 3.03Å; K20-V107 HydrophobicContact CB-CG1 4.09Å; K20-V107 HydrophobicContact CD-CG2 4.43Å; K20-V107 HydrophobicContact CG-CG1 4Å; K20-V107 HydrophobicContact CG-CG2 3.91Å; K20-F127 HydrophobicContact CG-CD2 4.1Å; K20-F127 HydrophobicContact CG-CE2 3.8Å; K20-F127 HydrophobicContact CG-CZ 4.39Å
21	A	97.5	Very high	91.6	Very high	44 Å²	44	63.6 Å²	63.6	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-61.1	-39.3	178.7	0	0	0	0	0	111.8	D17 D18 K25	D17-A21 WeakPolarHBondContact O-CB 3.46Å; D17-A21 PolarHBondContact O-N 3.46Å; D18-A21 PolarHBondContact O-N 2.86Å; A21-K25 WeakPolarHBondContact O-CG 3.24Å
22	R	97.1	Very high	93	Very high	71 Å²	71	61 Å²	61	27%	0.268	30%	0.303	S	S	.	.	H	α-helix	trans	-67.3	-48.7	174.3	-71.3	170.2	172.1	152.7	1.5	112	D18 A19 K20 R24 K25 I202 I203 E205	D18-R22 WeakPolarHBondContact O-CG 3.32Å; D18-R22 PolarHBondContact O-N 3.29Å; A19-R22 PolarHBondContact O-N 3.38Å; K20-R22 VanDerWaalsContact C-N 3.29Å; K20-R22 PolarHBondContact O-N 3.44Å; R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 2.84Å; R22-K25 WeakPolarHBondContact O-CB 3.3Å; R22-K25 PolarHBondContact O-N 2.94Å; R22-K25 VanDerWaalsContact O-N 3.13Å; R22-I202 HydrophobicContact CB-CG2 4.24Å; R22-I202 WeakPolarHBondContact CD-O 3.38Å; R22-I203 WeakPolarHBondContact CD-O 3.48Å; R22-I203 PolarHBondContact NH1-O 2.93Å; R22-E205 IonicContact CZ-OE2 3.85Å; R22-E205 IonicContact NE-OE1 3.82Å; R22-E205 PolarHBondContact NE-OE1 3.06Å; R22-E205 IonicContact NE-OE2 3.19Å; R22-E205 PolarHBondContact NE-OE2 3.45Å; R22-E205 IonicContact NH2-OE2 2.84Å; R22-E205 PolarHBondContact NH2-OE2 2.78Å
23	L	97.9	Very high	94.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-40	179.3	-76.8	166	0	0	0	113.3	A19 K20 K25 S26 D27 L46 V107 S108 V125 F127 I202 I203	A19-L23 WeakPolarHBondContact O-CB 3.26Å; A19-L23 WeakPolarHBondContact O-CG 3.5Å; A19-L23 PolarHBondContact O-N 2.85Å; K20-L23 PolarHBondContact O-N 3.23Å; L23-K25 PolarHBondContact O-N 3.34Å; L23-S26 CarbonylContact O-C 3.56Å; L23-S26 WeakPolarHBondContact O-CA 3.41Å; L23-S26 WeakPolarHBondContact O-CB 3.16Å; L23-S26 PolarHBondContact O-N 2.82Å; L23-D27 PolarHBondContact O-N 2.84Å; L23-L46 HydrophobicContact CD1-CD1 3.98Å; L23-V107 HydrophobicContact CB-CG1 3.89Å; L23-V107 HydrophobicContact CD1-CG1 4.27Å; L23-S108 WeakPolarHBondContact O-CB 3.38Å; L23-V125 HydrophobicContact CD1-CG1 3.77Å; L23-V125 HydrophobicContact CD2-CB 4.37Å; L23-V125 HydrophobicContact CD2-CG1 3.99Å; L23-V125 HydrophobicContact CD2-CG2 4.22Å; L23-F127 HydrophobicContact CD1-CE2 3.77Å; L23-F127 HydrophobicContact CD1-CZ 4.39Å; L23-I202 HydrophobicContact CD2-CG2 4.06Å; L23-I202 HydrophobicContact CG-CG2 4.43Å; L23-I203 HydrophobicContact CD1-CD1 3.9Å; L23-I203 HydrophobicContact CD1-CG1 4.23Å; L23-I203 HydrophobicContact CD2-CD1 4.22Å; L23-I203 HydrophobicContact CD2-CG1 4.15Å; L23-I203 HydrophobicContact CG-CD1 4.12Å; L23-I203 HydrophobicContact CG-CG1 3.95Å
24	R	97.4	Very high	95.1	Very high	135 Å²	135	63.9 Å²	63.9	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-28.7	177.3	-74.6	174.5	-176	132.9	1.1	113.2	K20 R22 S26 D27 E105 V107	K20-R24 WeakPolarHBondContact O-CB 3.43Å; K20-R24 VanDerWaalsContact O-CG 3.29Å; K20-R24 WeakPolarHBondContact O-CG 3.24Å; K20-R24 PolarHBondContact O-N 3.37Å; R22-R24 VanDerWaalsContact C-N 3.34Å; R22-R24 PolarHBondContact O-N 2.84Å; R24-S26 PolarHBondContact O-N 2.93Å; R24-D27 WeakPolarHBondContact O-CB 3.43Å; R24-D27 PolarHBondContact O-N 3.01Å; R24-E105 IonicContact NH2-OE1 3.48Å; R24-V107 HydrophobicContact CG-CG1 4.07Å
25	K	95.8	Very high	95.4	Very high	172 Å²	172	61.2 Å²	61.2	75%	0.748	31%	0.305	S	S	*	.	H	α-helix	trans	-71.8	-20.9	174	-64	173.1	-173.1	175.5	0	112.4	A21 R22 L23	A21-K25 WeakPolarHBondContact O-CG 3.24Å; R22-K25 WeakPolarHBondContact O-CB 3.3Å; R22-K25 PolarHBondContact O-N 2.94Å; R22-K25 VanDerWaalsContact O-N 3.13Å; L23-K25 PolarHBondContact O-N 3.34Å
26	S	94.8	Very high	95.3	Very high	13 Å²	13	59.1 Å²	59.1	9%	0.091	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	4.1	179.9	-59	0	0	0	0	113.3	L23 R24 V28	L23-S26 CarbonylContact O-C 3.56Å; L23-S26 WeakPolarHBondContact O-CA 3.41Å; L23-S26 WeakPolarHBondContact O-CB 3.16Å; L23-S26 PolarHBondContact O-N 2.82Å; R24-S26 PolarHBondContact O-N 2.93Å; S26-V28 PolarHBondContact O-N 3.26Å
27	D	96.9	Very high	95	Very high	65 Å²	65	63.7 Å²	63.7	35%	0.348	33%	0.329	S	S	.	.			trans	-72.8	119.9	-178.9	-175	22.8	0	0	0	111.2	L23 R24 G29 H109	L23-D27 PolarHBondContact O-N 2.84Å; R24-D27 WeakPolarHBondContact O-CB 3.43Å; R24-D27 PolarHBondContact O-N 3.01Å; D27-G29 WeakPolarHBondContact OD1-CA 3.29Å; D27-G29 PolarHBondContact OD1-N 3.36Å; D27-H109 WeakPolarHBondContact CA-O 3.34Å; D27-H109 PolarHBondContact OD1-N 3.41Å; D27-H109 IonicContact OD1-ND1 3.17Å
28	V	96.8	Very high	94.9	Very high	12 Å²	12	61.8 Å²	61.8	7%	0.073	32%	0.319	C	S	.	.			trans	-93.3	-6	172.8	-57.1	0	0	0	0	112.4	S26 T30 R31 Y32 H109 L110 V111 I220 E224	S26-V28 PolarHBondContact O-N 3.26Å; V28-T30 PolarHBondContact O-N 3.33Å; V28-R31 WeakPolarHBondContact O-CB 3.42Å; V28-R31 PolarHBondContact O-N 3.47Å; V28-Y32 HydrophobicContact CB-CD2 4.42Å; V28-Y32 HydrophobicContact CB-CE2 4.19Å; V28-Y32 HydrophobicContact CG1-CE2 4.37Å; V28-Y32 HydrophobicContact CG2-CD2 4.11Å; V28-Y32 HydrophobicContact CG2-CE2 4.29Å; V28-H109 HydrophobicContact CG2-CB 4.48Å; V28-H109 WeakPolarHBondContact CG2-O 3.39Å; V28-H109 PolarHBondContact N-O 2.86Å; V28-L110 WeakPolarHBondContact CG2-O 3.44Å; V28-V111 HydrophobicContact CG1-CG2 3.93Å; V28-I220 HydrophobicContact CG1-CG2 4.43Å; V28-E224 WeakPolarHBondContact CG1-OE1 3.39Å
29	G	95.5	Very high	94.9	Very high	23 Å²	23	57.9 Å²	57.9	24%	0.237	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	-132.7	-177.2	0	0	0	0	0	112.2	D27 R31	D27-G29 WeakPolarHBondContact OD1-CA 3.29Å; D27-G29 PolarHBondContact OD1-N 3.36Å; G29-R31 VanDerWaalsContact C-N 3.33Å; G29-R31 PolarHBondContact O-N 2.84Å
30	T	95	Very high	94.9	Very high	100 Å²	100	59.9 Å²	59.9	61%	0.613	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	13.2	-177.1	63.2	0	0	0	0	113.8	V28 Y32 S33	V28-T30 PolarHBondContact O-N 3.33Å; T30-Y32 PolarHBondContact O-N 3.17Å; T30-S33 PolarHBondContact O-N 2.68Å; T30-S33 VanDerWaalsContact O-N 3.09Å; T30-S33 PolarHBondContact O-OG 3.26Å
31	R	95.5	Very high	94.9	Very high	134 Å²	134	59 Å²	59	51%	0.506	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-34.8	-171.8	-172.6	-173.5	-57.6	-177.9	-0.2	113.4	V28 G29 H34 E224	V28-R31 WeakPolarHBondContact O-CB 3.42Å; V28-R31 PolarHBondContact O-N 3.47Å; G29-R31 VanDerWaalsContact C-N 3.33Å; G29-R31 PolarHBondContact O-N 2.84Å; R31-H34 PolarHBondContact O-CE1 3.01Å; R31-H34 PolarHBondContact O-ND1 3.37Å; R31-E224 IonicContact CZ-OE1 2.74Å; R31-E224 IonicContact NH1-OE1 3.23Å; R31-E224 PolarHBondContact NH1-OE1 3.12Å; R31-E224 IonicContact NH1-OE2 3.53Å; R31-E224 PolarHBondContact NH1-OE2 2.72Å
32	Y	94.8	Very high	95	Very high	20 Å²	20	57.6 Å²	57.6	8%	0.078	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.3	3.6	-175.1	-57.2	-60.2	0	0	0	113.8	V28 T30 H34 L35 P112 E224 F227 L228	V28-Y32 HydrophobicContact CB-CD2 4.42Å; V28-Y32 HydrophobicContact CB-CE2 4.19Å; V28-Y32 HydrophobicContact CG1-CE2 4.37Å; V28-Y32 HydrophobicContact CG2-CD2 4.11Å; V28-Y32 HydrophobicContact CG2-CE2 4.29Å; T30-Y32 PolarHBondContact O-N 3.17Å; Y32-H34 PolarHBondContact O-N 2.97Å; Y32-H34 VanDerWaalsContact O-N 3.12Å; Y32-L35 HydrophobicContact CD1-CD1 3.78Å; Y32-L35 HydrophobicContact CG-CD1 4.39Å; Y32-L35 PolarHBondContact O-N 2.86Å; Y32-P112 HydrophobicContact CD2-CG 4.06Å; Y32-P112 HydrophobicContact CG-CG 4.27Å; Y32-E224 HydrophobicContact CE2-CG 4.34Å; Y32-E224 WeakPolarHBondContact OH-CG 2.93Å; Y32-E224 PolarHBondContact OH-OE1 3.44Å; Y32-F227 HydrophobicContact CD1-CD1 4.37Å; Y32-F227 AromaticContact CD1-CE1 3.56Å; Y32-F227 HydrophobicContact CD1-CE1 3.56Å; Y32-F227 HydrophobicContact CD1-CZ 4.42Å; Y32-F227 HydrophobicContact CD2-CE1 4.19Å; Y32-F227 HydrophobicContact CE1-CD1 4.27Å; Y32-F227 AromaticContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE2-CD1 4.48Å; Y32-F227 HydrophobicContact CE2-CE1 4.46Å; Y32-F227 HydrophobicContact CG-CD1 4.48Å; Y32-F227 AromaticContact CG-CE1 3.7Å; Y32-F227 HydrophobicContact CG-CE1 3.7Å; Y32-F227 HydrophobicContact CG-CZ 4.32Å; Y32-L228 HydrophobicContact CE1-CD2 4.1Å
33	S	91.8	Very high	95.1	Very high	36 Å²	36	54.2 Å²	54.2	25%	0.252	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23.8	-171	66.4	0	0	0	0	113.1	T30 K39 D85	T30-S33 PolarHBondContact O-N 2.68Å; T30-S33 VanDerWaalsContact O-N 3.09Å; T30-S33 PolarHBondContact O-OG 3.26Å; S33-K39 WeakPolarHBondContact O-CD 3.31Å; S33-K39 VanDerWaalsContact O-CE 3.29Å; S33-K39 WeakPolarHBondContact O-CE 3.31Å; S33-K39 PolarHBondContact O-NZ 2.8Å; S33-D85 WeakPolarHBondContact CB-OD2 3.47Å
34	H	92.2	Very high	95.1	Very high	142 Å²	142	54.2 Å²	54.2	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-5.8	-176.7	65.1	-86.7	0	0	0	114.8	R31 Y32	R31-H34 PolarHBondContact O-CE1 3.01Å; R31-H34 PolarHBondContact O-ND1 3.37Å; Y32-H34 PolarHBondContact O-N 2.97Å; Y32-H34 VanDerWaalsContact O-N 3.12Å
35	L	91.8	Very high	95.2	Very high	44 Å²	44	47.8 Å²	47.8	23%	0.23	25%	0.252	C	S	.	.	S	Bend	trans	-71.9	-38.3	-169.2	-72	-177.6	0	0	0	113.6	Y32 L120 F227 Y231	Y32-L35 HydrophobicContact CD1-CD1 3.78Å; Y32-L35 HydrophobicContact CG-CD1 4.39Å; Y32-L35 PolarHBondContact O-N 2.86Å; L35-L120 HydrophobicContact CB-CD1 3.71Å; L35-F227 HydrophobicContact CD1-CE1 3.9Å; L35-F227 HydrophobicContact CD1-CZ 3.78Å; L35-Y231 HydrophobicContact CB-CE1 4.23Å; L35-Y231 HydrophobicContact CB-CE2 4.18Å; L35-Y231 HydrophobicContact CD1-CD1 4.29Å; L35-Y231 HydrophobicContact CD1-CE1 4.22Å; L35-Y231 HydrophobicContact CD2-CE1 4.18Å; L35-Y231 HydrophobicContact CG-CE1 4.46Å; L35-Y231 PolarHBondContact O-OH 3.34Å
36	S	88.7	Confident	95.3	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	22%	0.217	C	C	.	.			trans	-127.4	147.7	-178.4	-174.5	0	0	0	0	110.8	N38 K39 D118 L120	S36-N38 PolarHBondContact OG-N 3.4Å; S36-N38 VanDerWaalsContact OG-N 3.11Å; S36-K39 WeakPolarHBondContact O-CD 3.4Å; S36-K39 WeakPolarHBondContact O-CG 3.37Å; S36-D118 WeakPolarHBondContact CB-O 3.4Å; S36-D118 PolarHBondContact OG-O 2.96Å; S36-L120 VanDerWaalsContact CB-CD1 3.49Å
37	S	89.3	Confident	95.5	Very high	120 Å²	120	39.8 Å²	39.8	84%	0.839	22%	0.217	S	C	*	.	S	Bend	trans	-83.8	-20.2	167.1	54.6	0	0	0	0	112.2	K39	S37-K39 PolarHBondContact O-N 3.49Å
38	N	93.3	Very high	95.5	Very high	44 Å²	44	37.1 Å²	37.1	24%	0.235	20%	0.203	C	C	.	.	S	Bend	trans	-89	83.8	177.1	-170.4	17.4	0	0	0	109.3	S36 F40 D118 A119 L120	S36-N38 PolarHBondContact OG-N 3.4Å; S36-N38 VanDerWaalsContact OG-N 3.11Å; N38-F40 WeakPolarHBondContact OD1-CE2 3.2Å; N38-D118 PolarHBondContact ND2-OD1 2.86Å; N38-A119 WeakPolarHBondContact ND2-CB 3.36Å; N38-A119 VanDerWaalsContact O-CA 3.32Å; N38-A119 WeakPolarHBondContact O-CA 3.43Å; N38-L120 PolarHBondContact O-N 3.39Å
39	K	95.9	Very high	95.2	Very high	11 Å²	11	42 Å²	42	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139	-170.4	-66.7	175	60.8	72.9	0	112.1	S33 S36 S37 R78 D85	S33-K39 WeakPolarHBondContact O-CD 3.31Å; S33-K39 VanDerWaalsContact O-CE 3.29Å; S33-K39 WeakPolarHBondContact O-CE 3.31Å; S33-K39 PolarHBondContact O-NZ 2.8Å; S36-K39 WeakPolarHBondContact O-CD 3.4Å; S36-K39 WeakPolarHBondContact O-CG 3.37Å; S37-K39 PolarHBondContact O-N 3.49Å; K39-R78 HydrophobicContact CB-CB 4.08Å; K39-R78 WeakPolarHBondContact O-CB 3.38Å; K39-R78 PolarHBondContact O-N 3.11Å; K39-D85 VanDerWaalsContact CE-CG 3.46Å; K39-D85 WeakPolarHBondContact CE-OD1 3.19Å; K39-D85 WeakPolarHBondContact CE-OD2 3.42Å; K39-D85 VanDerWaalsContact NZ-CG 3.31Å; K39-D85 IonicContact NZ-OD1 2.76Å; K39-D85 PolarHBondContact NZ-OD1 2.79Å; K39-D85 VanDerWaalsContact NZ-OD1 3.14Å; K39-D85 IonicContact NZ-OD2 3.94Å; K39-D85 PolarHBondContact NZ-OD2 3.1Å
40	F	97.5	Very high	94.9	Very high	44 Å²	44	44 Å²	44	19%	0.193	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	153.4	171.2	-68.7	-103.5	0	0	0	108.1	N38 G76 K77 A119 L120 V121 T122	N38-F40 WeakPolarHBondContact OD1-CE2 3.2Å; F40-G76 CarbonylContact C-O 3.53Å; F40-G76 WeakPolarHBondContact CA-O 3.18Å; F40-G76 WeakPolarHBondContact CB-O 3.42Å; F40-G76 WeakPolarHBondContact CD1-O 3.41Å; F40-K77 HydrophobicContact CD1-CB 3.89Å; F40-K77 HydrophobicContact CD1-CG 4.39Å; F40-K77 HydrophobicContact CE1-CB 3.56Å; F40-K77 HydrophobicContact CE1-CD 4.43Å; F40-K77 HydrophobicContact CE1-CG 3.96Å; F40-K77 HydrophobicContact CE2-CG 4.22Å; F40-K77 HydrophobicContact CZ-CB 3.98Å; F40-K77 HydrophobicContact CZ-CD 4.03Å; F40-K77 HydrophobicContact CZ-CG 3.86Å; F40-A119 HydrophobicContact CD2-CB 4.19Å; F40-A119 HydrophobicContact CE2-CB 4.1Å; F40-L120 PolarHBondContact N-O 2.99Å; F40-L120 VanDerWaalsContact O-O 3.05Å; F40-V121 HydrophobicContact CB-CB 4.5Å; F40-V121 HydrophobicContact CB-CG2 4.03Å; F40-V121 CarbonylContact O-C 3.5Å; F40-V121 WeakPolarHBondContact O-CA 3.36Å; F40-T122 PolarHBondContact O-N 3.03Å
41	S	98.2	Very high	94.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141.1	171.4	-55.2	0	0	0	0	109.9	G75 G76 D85 T122	S41-G75 CarbonylContact O-C 3.22Å; S41-G75 VanDerWaalsContact O-CA 3.24Å; S41-G75 WeakPolarHBondContact O-CA 3.46Å; S41-G76 PolarHBondContact N-O 2.86Å; S41-G76 PolarHBondContact O-N 2.88Å; S41-G76 VanDerWaalsContact O-N 3.08Å; S41-D85 WeakPolarHBondContact CB-O 3.4Å; S41-D85 WeakPolarHBondContact OG-CB 3.25Å; S41-D85 PolarHBondContact OG-O 3.05Å; S41-D85 VanDerWaalsContact OG-O 3.09Å; S41-T122 VanDerWaalsContact CA-O 3.31Å; S41-T122 WeakPolarHBondContact CA-O 3.05Å
42	V	98.7	Very high	94.7	Very high	15 Å²	15	39.2 Å²	39.2	9%	0.091	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.3	176.2	-64.3	0	0	0	0	109.3	F73 P74 V121 T122 P123 V124 L195	V42-F73 HydrophobicContact CB-CB 4.11Å; V42-P74 CarbonylContact C-O 3.51Å; V42-P74 WeakPolarHBondContact CA-O 3.48Å; V42-V121 HydrophobicContact CB-CG1 4.4Å; V42-V121 HydrophobicContact CG1-CG1 3.78Å; V42-V121 HydrophobicContact CG2-CG1 3.84Å; V42-T122 PolarHBondContact N-O 2.88Å; V42-P123 HydrophobicContact CG2-CB 4.16Å; V42-V124 PolarHBondContact O-N 2.78Å; V42-L195 HydrophobicContact CG2-CD1 4.05Å
43	L	98.9	Very high	94.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	123.3	169.7	-178.2	68.8	0	0	0	108.7	P45 F73 P74 A89 A93 L99 V104 V124	L43-P45 HydrophobicContact CD2-CB 4.23Å; L43-P45 HydrophobicContact CD2-CG 4.16Å; L43-P45 HydrophobicContact CG-CB 4.28Å; L43-P45 HydrophobicContact CG-CG 4.02Å; L43-P45 WeakPolarHBondContact O-CD 3.4Å; L43-P45 WeakPolarHBondContact O-CG 3.32Å; L43-F73 WeakPolarHBondContact O-CB 3.45Å; L43-P74 PolarHBondContact N-O 2.86Å; L43-A89 HydrophobicContact CB-CB 4.31Å; L43-A93 HydrophobicContact CB-CB 4.4Å; L43-A93 HydrophobicContact CD2-CB 3.76Å; L43-L99 HydrophobicContact CD2-CD2 3.33Å; L43-V104 HydrophobicContact CD1-CG2 4.36Å; L43-V104 HydrophobicContact CD2-CG2 4.47Å; L43-V124 CarbonylContact C-O 3.56Å; L43-V124 WeakPolarHBondContact CA-O 3.32Å; L43-V124 HydrophobicContact CD1-CG1 4.42Å
44	V	98.9	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	94.9	169.6	-177.4	0	0	0	0	107.7	L55 F73 P123 V124 V125 G126 V199	V44-L55 HydrophobicContact CG1-CD2 3.51Å; V44-F73 HydrophobicContact CG1-CE1 4.03Å; V44-F73 HydrophobicContact CG1-CZ 3.99Å; V44-F73 HydrophobicContact CG2-CD2 4.23Å; V44-F73 HydrophobicContact CG2-CE2 4.26Å; V44-F73 HydrophobicContact CG2-CG 4.44Å; V44-F73 HydrophobicContact CG2-CZ 4.49Å; V44-P123 HydrophobicContact CG2-CB 4.13Å; V44-V124 PolarHBondContact N-O 2.86Å; V44-V125 HydrophobicContact CB-CG2 4.23Å; V44-G126 PolarHBondContact O-N 3.24Å; V44-G126 VanDerWaalsContact O-N 3.1Å; V44-V199 HydrophobicContact CG1-CG1 4.5Å; V44-V199 HydrophobicContact CG1-CG2 3.81Å
45	P	98.7	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	122.3	-165.7	1.7	21.2	0	0	0	109.9	L43 L55 M56 P74 G126 L128	L43-P45 HydrophobicContact CD2-CB 4.23Å; L43-P45 HydrophobicContact CD2-CG 4.16Å; L43-P45 HydrophobicContact CG-CB 4.28Å; L43-P45 HydrophobicContact CG-CG 4.02Å; L43-P45 WeakPolarHBondContact O-CD 3.4Å; L43-P45 WeakPolarHBondContact O-CG 3.32Å; P45-L55 WeakPolarHBondContact O-CA 3.49Å; P45-M56 HydrophobicContact CB-CB 4.02Å; P45-M56 HydrophobicContact CB-CE 4.34Å; P45-M56 WeakPolarHBondContact CD-O 3.44Å; P45-M56 HydrophobicContact CG-CB 3.98Å; P45-M56 HydrophobicContact CG-CE 3.9Å; P45-M56 PolarHBondContact O-N 2.8Å; P45-P74 HydrophobicContact CG-CG 4.14Å; P45-G126 WeakPolarHBondContact CA-O 3.24Å; P45-L128 HydrophobicContact CB-CD1 3.89Å; P45-L128 HydrophobicContact CB-CD2 3.88Å; P45-L128 HydrophobicContact CB-CG 3.9Å
46	L	98.8	Very high	95.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	128.9	178.3	-73.8	163.1	0	0	0	110.8	L23 Y54 L55 V125 G126 F127 L128 L149 V199 I203	L23-L46 HydrophobicContact CD1-CD1 3.98Å; L46-Y54 CarbonylContact C-O 3.53Å; L46-Y54 WeakPolarHBondContact CA-O 3.33Å; L46-L55 HydrophobicContact CD2-CD2 3.62Å; L46-L55 HydrophobicContact CD2-CG 4.13Å; L46-L55 HydrophobicContact CG-CD2 4.09Å; L46-V125 HydrophobicContact CD1-CG1 3.68Å; L46-V125 HydrophobicContact CG-CG1 4.47Å; L46-G126 PolarHBondContact N-O 3.12Å; L46-F127 HydrophobicContact CB-CD1 4.06Å; L46-F127 HydrophobicContact CB-CD2 4.5Å; L46-F127 HydrophobicContact CB-CE1 4.03Å; L46-F127 HydrophobicContact CB-CE2 4.48Å; L46-F127 HydrophobicContact CB-CG 4.31Å; L46-F127 HydrophobicContact CB-CZ 4.24Å; L46-F127 HydrophobicContact CD1-CD2 4.4Å; L46-F127 HydrophobicContact CD1-CE1 4.35Å; L46-F127 HydrophobicContact CD1-CE2 3.78Å; L46-F127 HydrophobicContact CD1-CZ 3.74Å; L46-F127 CarbonylContact O-C 3.58Å; L46-F127 WeakPolarHBondContact O-CA 3.19Å; L46-L128 PolarHBondContact O-N 3.46Å; L46-L149 HydrophobicContact CD2-CD1 4.43Å; L46-L149 HydrophobicContact CD2-CD2 4.34Å; L46-V199 HydrophobicContact CD1-CG1 4.39Å; L46-V199 HydrophobicContact CD2-CG1 4.36Å; L46-I203 HydrophobicContact CD1-CD1 3.49Å; L46-I203 VanDerWaalsContact CD1-CD1 3.49Å; L46-I203 HydrophobicContact CD2-CD1 4.2Å
47	L	97.8	Very high	96.3	Very high	17 Å²	17	29.4 Å²	29.4	9%	0.089	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.1	173	-177.4	68	0	0	0	110.2	L53 Y54 L128 F146	L47-L53 CarbonylContact O-C 3.48Å; L47-L53 WeakPolarHBondContact O-CA 3.42Å; L47-Y54 PolarHBondContact N-O 3.13Å; L47-Y54 PolarHBondContact O-N 3.41Å; L47-L128 HydrophobicContact CB-CD1 4.37Å; L47-L128 HydrophobicContact CD1-CB 4.09Å; L47-F146 HydrophobicContact CB-CD1 4.26Å; L47-F146 HydrophobicContact CB-CE1 4Å; L47-F146 HydrophobicContact CD2-CD1 4.03Å; L47-F146 HydrophobicContact CD2-CE1 3.66Å; L47-F146 HydrophobicContact CD2-CZ 4.13Å; L47-F146 HydrophobicContact CG-CE1 4.46Å
48	A	96.7	Very high	96.7	Very high	8 Å²	8	23.8 Å²	23.8	7%	0.066	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	115.6	168.6	0	0	0	0	0	110.1	R12 I16 K52 L53	R12-A48 HydrophobicContact CG-CB 4.29Å; R12-A48 PolarHBondContact NH2-O 2.84Å; I16-A48 HydrophobicContact CD1-CB 3.76Å; I16-A48 HydrophobicContact CG1-CB 3.82Å; A48-K52 WeakPolarHBondContact CA-O 3.37Å; A48-L53 HydrophobicContact CB-CD2 3.93Å
49	R	92.3	Very high	96.9	Very high	116 Å²	116	22.3 Å²	22.3	44%	0.438	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	131.7	178.8	-168.7	174.4	91.6	164.6	9.2	109.8	G51 K52 Y54 E181	R49-G51 PolarHBondContact O-N 3.47Å; R49-G51 VanDerWaalsContact O-N 3.1Å; R49-K52 PolarHBondContact N-O 3.3Å; R49-K52 PolarHBondContact O-N 3.45Å; R49-K52 VanDerWaalsContact O-O 3.12Å; R49-Y54 HydrophobicContact CB-CD2 4.09Å; R49-Y54 HydrophobicContact CB-CE2 3.95Å; R49-Y54 WeakPolarHBondContact O-CE2 3.39Å; R49-E181 IonicContact CZ-OE1 3.96Å; R49-E181 IonicContact NH1-OE1 2.84Å; R49-E181 IonicContact NH2-OE1 3.14Å; R49-E181 PolarHBondContact NH2-OE1 3.02Å
50	G	88.8	Confident	97	Very high	64 Å²	64	23.7 Å²	23.7	66%	0.66	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	31.1	174.3	0	0	0	0	0	115.3	K52	G50-K52 VanDerWaalsContact C-N 3.31Å; G50-K52 PolarHBondContact O-N 3.36Å
51	G	89.8	Confident	97	Very high	36 Å²	36	22 Å²	22	37%	0.371	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	10.5	-178.6	0	0	0	0	0	116.1	R49	R49-G51 PolarHBondContact O-N 3.47Å; R49-G51 VanDerWaalsContact O-N 3.1Å
52	K	95.2	Very high	96.9	Very high	97 Å²	97	26.7 Å²	26.7	42%	0.422	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	158	173.7	-63.6	-169.8	171.9	-152.3	0	110.6	A48 R49 G50 Y54 D150	A48-K52 WeakPolarHBondContact CA-O 3.37Å; R49-K52 PolarHBondContact N-O 3.3Å; R49-K52 PolarHBondContact O-N 3.45Å; R49-K52 VanDerWaalsContact O-O 3.12Å; G50-K52 VanDerWaalsContact C-N 3.31Å; G50-K52 PolarHBondContact O-N 3.36Å; K52-Y54 HydrophobicContact CB-CD2 4.43Å; K52-Y54 HydrophobicContact CB-CE2 3.75Å; K52-D150 IonicContact NZ-OD2 2.64Å; K52-D150 PolarHBondContact NZ-OD2 2.64Å
53	L	98	Very high	96.6	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.5	168.3	-64.6	175.9	0	0	0	109.4	L15 A19 L47 A48 F127 L149 I203	L15-L53 HydrophobicContact CD1-CD1 4.4Å; L15-L53 HydrophobicContact CD1-CG 4.37Å; L15-L53 HydrophobicContact CD2-CD2 4.1Å; L15-L53 HydrophobicContact CD2-CG 4.03Å; L15-L53 HydrophobicContact CG-CD1 4.45Å; L15-L53 HydrophobicContact CG-CD2 4.24Å; L15-L53 HydrophobicContact CG-CG 4.13Å; A19-L53 HydrophobicContact CB-CD1 3.86Å; L47-L53 CarbonylContact O-C 3.48Å; L47-L53 WeakPolarHBondContact O-CA 3.42Å; A48-L53 HydrophobicContact CB-CD2 3.93Å; L53-F127 HydrophobicContact CD2-CE1 3.86Å; L53-L149 HydrophobicContact CB-CB 4.05Å; L53-L149 HydrophobicContact CB-CD2 3.99Å; L53-L149 HydrophobicContact CD1-CD2 4.07Å; L53-L149 WeakPolarHBondContact O-CB 3.07Å; L53-L149 PolarHBondContact O-N 2.95Å; L53-I203 HydrophobicContact CD1-CG2 3.6Å
54	Y	98.6	Very high	96.3	Very high	38 Å²	38	34.8 Å²	34.8	15%	0.149	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.8	177.2	-66.9	-104.8	0	0	0	109	L46 L47 R49 K52 F146 V147 P148	L46-Y54 CarbonylContact C-O 3.53Å; L46-Y54 WeakPolarHBondContact CA-O 3.33Å; L47-Y54 PolarHBondContact N-O 3.13Å; L47-Y54 PolarHBondContact O-N 3.41Å; R49-Y54 HydrophobicContact CB-CD2 4.09Å; R49-Y54 HydrophobicContact CB-CE2 3.95Å; R49-Y54 WeakPolarHBondContact O-CE2 3.39Å; K52-Y54 HydrophobicContact CB-CD2 4.43Å; K52-Y54 HydrophobicContact CB-CE2 3.75Å; Y54-F146 HydrophobicContact CD1-CB 4.14Å; Y54-V147 CarbonylContact C-O 3.57Å; Y54-V147 VanDerWaalsContact CA-O 3.23Å; Y54-V147 WeakPolarHBondContact CA-O 3.49Å; Y54-P148 HydrophobicContact CD1-CB 4.37Å; Y54-P148 HydrophobicContact CD1-CG 4.09Å; Y54-P148 HydrophobicContact CE1-CB 4.16Å; Y54-P148 HydrophobicContact CE1-CG 3.63Å
55	L	98.8	Very high	95.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.1	165.2	-76	169.9	0	0	0	109.2	V44 P45 L46 F57 F73 F146 V147 L149 F152 A196 V199	V44-L55 HydrophobicContact CG1-CD2 3.51Å; P45-L55 WeakPolarHBondContact O-CA 3.49Å; L46-L55 HydrophobicContact CD2-CD2 3.62Å; L46-L55 HydrophobicContact CD2-CG 4.13Å; L46-L55 HydrophobicContact CG-CD2 4.09Å; L55-F57 HydrophobicContact CB-CD2 4.35Å; L55-F57 HydrophobicContact CB-CE2 3.45Å; L55-F57 VanDerWaalsContact CB-CE2 3.45Å; L55-F57 HydrophobicContact CB-CZ 3.72Å; L55-F57 HydrophobicContact CD1-CZ 4.11Å; L55-F73 HydrophobicContact CB-CE1 4.43Å; L55-F73 HydrophobicContact CD1-CZ 4.31Å; L55-F73 HydrophobicContact CD2-CE1 4.2Å; L55-F73 HydrophobicContact CD2-CZ 4.47Å; L55-F146 WeakPolarHBondContact O-CA 3.4Å; L55-V147 PolarHBondContact N-O 3.37Å; L55-V147 PolarHBondContact O-N 3.21Å; L55-L149 HydrophobicContact CD1-CD1 3.66Å; L55-L149 HydrophobicContact CG-CD1 3.88Å; L55-F152 HydrophobicContact CB-CE2 4.39Å; L55-F152 HydrophobicContact CD1-CD2 4.01Å; L55-F152 HydrophobicContact CD1-CE2 3.76Å; L55-A196 HydrophobicContact CD1-CB 3.77Å; L55-V199 HydrophobicContact CD2-CG1 4.41Å
56	M	98.8	Very high	95.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	137.8	171.1	-169.3	-174.6	84.4	0	0	110.4	P45 F73 P74 V97 L128 F132 V144 F146	P45-M56 HydrophobicContact CB-CB 4.02Å; P45-M56 HydrophobicContact CB-CE 4.34Å; P45-M56 WeakPolarHBondContact CD-O 3.44Å; P45-M56 HydrophobicContact CG-CB 3.98Å; P45-M56 HydrophobicContact CG-CE 3.9Å; P45-M56 PolarHBondContact O-N 2.8Å; M56-F73 WeakPolarHBondContact O-CD1 3.41Å; M56-P74 HydrophobicContact CE-CG 3.52Å; M56-V97 HydrophobicContact CE-CB 4.47Å; M56-V97 HydrophobicContact CE-CG1 4.37Å; M56-V97 HydrophobicContact CE-CG2 3.79Å; M56-L128 HydrophobicContact CB-CD1 4.34Å; M56-L128 HydrophobicContact SD-CD1 3.98Å; M56-F132 HydrophobicContact SD-CE1 3.64Å; M56-F132 HydrophobicContact SD-CZ 4.36Å; M56-V144 HydrophobicContact CG-CG1 3.66Å; M56-V144 HydrophobicContact SD-CG1 3.85Å; M56-F146 HydrophobicContact CB-CD1 3.82Å; M56-F146 HydrophobicContact CB-CE1 3.5Å; M56-F146 VanDerWaalsContact CB-CE1 3.5Å; M56-F146 HydrophobicContact CB-CZ 4.11Å; M56-F146 HydrophobicContact CG-CD1 4.13Å; M56-F146 HydrophobicContact CG-CE1 3.6Å; M56-F146 HydrophobicContact CG-CE2 4.25Å; M56-F146 HydrophobicContact CG-CZ 3.66Å; M56-F146 HydrophobicContact SD-CE1 4.1Å; M56-F146 HydrophobicContact SD-CZ 3.83Å
57	F	98.9	Very high	94.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	157.9	176.2	-62.1	-87.8	0	0	0	110.8	L55 V71 C72 F73 V144 F145 V147 F152 I188 T192 A196	L55-F57 HydrophobicContact CB-CD2 4.35Å; L55-F57 HydrophobicContact CB-CE2 3.45Å; L55-F57 VanDerWaalsContact CB-CE2 3.45Å; L55-F57 HydrophobicContact CB-CZ 3.72Å; L55-F57 HydrophobicContact CD1-CZ 4.11Å; F57-V71 HydrophobicContact CB-CG1 3.83Å; F57-V71 HydrophobicContact CD1-CG1 3.89Å; F57-V71 HydrophobicContact CG-CG1 4.07Å; F57-C72 WeakPolarHBondContact CA-O 3.23Å; F57-F73 HydrophobicContact CD1-CD1 4.05Å; F57-F73 AromaticContact CD1-CE1 3.8Å; F57-F73 HydrophobicContact CD1-CE1 3.8Å; F57-F73 HydrophobicContact CD1-CZ 4.21Å; F57-F73 HydrophobicContact CE1-CD1 4.01Å; F57-F73 AromaticContact CE1-CE1 3.33Å; F57-F73 HydrophobicContact CE1-CE1 3.33Å; F57-F73 HydrophobicContact CE1-CE2 4.05Å; F57-F73 AromaticContact CE1-CZ 3.36Å; F57-F73 HydrophobicContact CE1-CZ 3.36Å; F57-F73 AromaticContact CZ-CE1 3.77Å; F57-F73 HydrophobicContact CZ-CE1 3.77Å; F57-F73 AromaticContact CZ-CZ 3.81Å; F57-F73 HydrophobicContact CZ-CZ 3.81Å; F57-V144 WeakPolarHBondContact O-CA 3.42Å; F57-F145 HydrophobicContact CB-CD1 4.11Å; F57-F145 HydrophobicContact CB-CE1 3.58Å; F57-F145 HydrophobicContact CB-CE2 4.11Å; F57-F145 HydrophobicContact CB-CZ 3.6Å; F57-F145 HydrophobicContact CD2-CE2 4.12Å; F57-F145 HydrophobicContact CD2-CZ 4.34Å; F57-F145 HydrophobicContact CG-CE2 4.36Å; F57-F145 HydrophobicContact CG-CZ 4.11Å; F57-F145 PolarHBondContact N-O 2.97Å; F57-F145 PolarHBondContact O-N 2.94Å; F57-F145 VanDerWaalsContact O-N 3.09Å; F57-V147 HydrophobicContact CD2-CB 4.36Å; F57-V147 HydrophobicContact CD2-CG2 3.77Å; F57-V147 HydrophobicContact CE2-CB 3.9Å; F57-V147 HydrophobicContact CE2-CG2 3.73Å; F57-F152 HydrophobicContact CE2-CE2 4.06Å; F57-F152 AromaticContact CE2-CZ 3.63Å; F57-F152 HydrophobicContact CE2-CZ 3.63Å; F57-F152 HydrophobicContact CZ-CE1 4.24Å; F57-F152 AromaticContact CZ-CE2 3.98Å; F57-F152 HydrophobicContact CZ-CE2 3.98Å; F57-F152 AromaticContact CZ-CZ 3.4Å; F57-F152 HydrophobicContact CZ-CZ 3.4Å; F57-F152 VanDerWaalsContact CZ-CZ 3.4Å; F57-I188 HydrophobicContact CE1-CG2 4.16Å; F57-T192 HydrophobicContact CD1-CG2 3.79Å; F57-T192 HydrophobicContact CE1-CG2 3.64Å; F57-A196 HydrophobicContact CZ-CB 4.17Å
58	T	98.6	Very high	94.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	148.5	169.9	59.7	0	0	0	0	109.4	V71 C72 P74 V97 V141 E143 V144	T58-V71 WeakPolarHBondContact O-CA 2.96Å; T58-C72 PolarHBondContact N-O 3.45Å; T58-C72 PolarHBondContact O-N 3.1Å; T58-C72 PolarHBondContact OG1-O 3.36Å; T58-C72 PolarHBondContact OG1-SG 3.49Å; T58-P74 HydrophobicContact CG2-CG 3.96Å; T58-V97 HydrophobicContact CG2-CG1 3.62Å; T58-V141 HydrophobicContact CG2-CG1 4.08Å; T58-V141 HydrophobicContact CG2-CG2 4.06Å; T58-E143 CarbonylContact C-O 3.28Å; T58-E143 WeakPolarHBondContact CA-O 3.31Å; T58-V144 HydrophobicContact CG2-CG2 4.28Å
59	V	98.3	Very high	94.3	Very high	13 Å²	13	56.3 Å²	56.3	8%	0.079	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.5	162.7	-178.1	0	0	0	0	106.9	V71 K142 E143 F145 Y186	V59-V71 HydrophobicContact CG2-CG2 4.34Å; V59-K142 HydrophobicContact CB-CB 4.27Å; V59-K142 HydrophobicContact CG1-CB 4.17Å; V59-K142 HydrophobicContact CG1-CD 4.12Å; V59-K142 WeakPolarHBondContact O-CB 3.46Å; V59-K142 PolarHBondContact O-N 3.02Å; V59-E143 HydrophobicContact CB-CB 4.08Å; V59-E143 HydrophobicContact CG2-CB 4.01Å; V59-E143 PolarHBondContact N-O 3.35Å; V59-F145 HydrophobicContact CG2-CD1 4.12Å; V59-F145 HydrophobicContact CG2-CE1 3.82Å; V59-Y186 HydrophobicContact CG2-CD1 3.99Å; V59-Y186 HydrophobicContact CG2-CE1 3.9Å
60	R	98	Very high	94.5	Very high	41 Å²	41	54.7 Å²	54.7	16%	0.155	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	137.6	-179.7	-67.9	179.8	65.6	74.5	-2.5	110.7	L64 R66 E67 G69 E70 C72	R60-L64 HydrophobicContact CB-CD1 4.1Å; R60-R66 PolarHBondContact NE-O 3.05Å; R60-R66 PolarHBondContact NH2-O 3.07Å; R60-E67 WeakPolarHBondContact CB-O 3.49Å; R60-E67 VanDerWaalsContact CD-O 3.31Å; R60-E67 WeakPolarHBondContact CD-O 3.43Å; R60-E67 PolarHBondContact NE-O 3.17Å; R60-G69 VanDerWaalsContact O-CA 3.28Å; R60-G69 WeakPolarHBondContact O-CA 3.36Å; R60-G69 PolarHBondContact O-N 3.33Å; R60-E70 WeakPolarHBondContact CG-O 3.5Å; R60-E70 PolarHBondContact N-O 2.96Å; R60-C72 WeakPolarHBondContact CG-SG 3.46Å
61	S	96.8	Very high	95	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.049	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-58	140.5	177.3	178.4	0	0	0	0	111.2	K63 L64 A138 D139 E140	S61-K63 PolarHBondContact O-N 3.15Å; S61-K63 VanDerWaalsContact O-N 3.09Å; S61-K63 PolarHBondContact OG-N 3.39Å; S61-L64 WeakPolarHBondContact O-CB 3.32Å; S61-L64 PolarHBondContact O-N 3.28Å; S61-L64 VanDerWaalsContact O-N 3.11Å; S61-A138 PolarHBondContact OG-O 2.95Å; S61-D139 WeakPolarHBondContact CB-O 3.34Å; S61-D139 PolarHBondContact OG-O 3.09Å; S61-E140 VanDerWaalsContact CB-C 3.46Å; S61-E140 WeakPolarHBondContact CB-O 3.35Å; S61-E140 PolarHBondContact N-O 2.8Å
62	D	95.3	Very high	95.4	Very high	100 Å²	100	51.6 Å²	51.6	54%	0.535	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-13.8	175.9	-61.9	-45.5	0	0	0	111.8	K142	D62-K142 IonicContact OD1-NZ 2.78Å; D62-K142 IonicContact OD2-NZ 2.74Å; D62-K142 PolarHBondContact OD2-NZ 3.1Å
63	K	93.3	Very high	95.5	Very high	144 Å²	144	47.2 Å²	47.2	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.1	177	-57.5	178.9	-170.3	171.4	0	113.5	S61 D139	S61-K63 PolarHBondContact O-N 3.15Å; S61-K63 VanDerWaalsContact O-N 3.09Å; S61-K63 PolarHBondContact OG-N 3.39Å; K63-D139 IonicContact NZ-OD1 2.79Å; K63-D139 PolarHBondContact NZ-OD1 3.03Å
64	L	91	Very high	95.6	Very high	41 Å²	41	46.8 Å²	46.8	22%	0.215	23%	0.23	C	C	.	.			trans	-75.5	143	-173.6	-68.8	174.5	0	0	0	111.9	R60 S61 R66 E140	R60-L64 HydrophobicContact CB-CD1 4.1Å; S61-L64 WeakPolarHBondContact O-CB 3.32Å; S61-L64 PolarHBondContact O-N 3.28Å; S61-L64 VanDerWaalsContact O-N 3.11Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.14Å; L64-E140 VanDerWaalsContact CD1-O 3.26Å; L64-E140 WeakPolarHBondContact CD1-O 3.29Å
65	K	90.1	Very high	95.5	Very high	220 Å²	220	45.5 Å²	45.5	96%	0.957	23%	0.227	S	C	*	.	S	Bend	trans	-68.5	-31.5	178.5	-68.7	-177.5	-180	176.8	0	113.2
66	R	85.4	Confident	95.4	Very high	95 Å²	95	46 Å²	46	36%	0.358	23%	0.233	S	C	.	.	S	Bend	trans	-113.2	126.3	-175.2	-179	172.7	167.8	-165.6	-19.9	109.9	R60 L64	R60-R66 PolarHBondContact NE-O 3.05Å; R60-R66 PolarHBondContact NH2-O 3.07Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.14Å
67	E	85.7	Confident	95.3	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	26%	0.258	S	S	.	.	S	Bend	trans	51.9	50.2	173.5	-65.7	159.9	-155.9	0	0	112.8	R60 G69 E70	R60-E67 WeakPolarHBondContact CB-O 3.49Å; R60-E67 VanDerWaalsContact CD-O 3.31Å; R60-E67 WeakPolarHBondContact CD-O 3.43Å; R60-E67 PolarHBondContact NE-O 3.17Å; E67-G69 PolarHBondContact O-N 3.29Å; E67-E70 HydrophobicContact CB-CB 4.1Å; E67-E70 HydrophobicContact CB-CG 3.86Å; E67-E70 WeakPolarHBondContact CG-OE2 3.44Å; E67-E70 PolarHBondContact O-N 2.96Å
68	P	92.6	Very high	95.3	Very high	69 Å²	69	55.3 Å²	55.3	45%	0.448	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	135.5	179.1	27.1	-34	0	0	0	110.8	E70	P68-E70 PolarHBondContact O-N 2.94Å
69	G	95.9	Very high	95.2	Very high	33 Å²	33	58.5 Å²	58.5	34%	0.34	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	-1.8	180	0	0	0	0	0	115.3	R60 E67	R60-G69 VanDerWaalsContact O-CA 3.28Å; R60-G69 WeakPolarHBondContact O-CA 3.36Å; R60-G69 PolarHBondContact O-N 3.33Å; E67-G69 PolarHBondContact O-N 3.29Å
70	E	96.8	Very high	95.1	Very high	82 Å²	82	64.2 Å²	64.2	38%	0.383	33%	0.326	S	S	.	.			trans	-73.8	149.7	177.2	-67.8	-159.1	166.6	0	0	112.3	R60 E67 P68	R60-E70 WeakPolarHBondContact CG-O 3.5Å; R60-E70 PolarHBondContact N-O 2.96Å; E67-E70 HydrophobicContact CB-CB 4.1Å; E67-E70 HydrophobicContact CB-CG 3.86Å; E67-E70 WeakPolarHBondContact CG-OE2 3.44Å; E67-E70 PolarHBondContact O-N 2.96Å; P68-E70 PolarHBondContact O-N 2.94Å
71	V	98.5	Very high	95	Very high	15 Å²	15	67.6 Å²	67.6	9%	0.091	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	125.4	171.5	177	0	0	0	0	109.9	F57 T58 V59 F145 L187 I188 T192	F57-V71 HydrophobicContact CB-CG1 3.83Å; F57-V71 HydrophobicContact CD1-CG1 3.89Å; F57-V71 HydrophobicContact CG-CG1 4.07Å; T58-V71 WeakPolarHBondContact O-CA 2.96Å; V59-V71 HydrophobicContact CG2-CG2 4.34Å; V71-F145 HydrophobicContact CB-CZ 4.46Å; V71-F145 HydrophobicContact CG1-CE1 3.92Å; V71-F145 HydrophobicContact CG1-CZ 3.62Å; V71-F145 HydrophobicContact CG2-CE1 4.05Å; V71-F145 HydrophobicContact CG2-CZ 3.93Å; V71-L187 WeakPolarHBondContact CG2-O 3.4Å; V71-I188 HydrophobicContact CG1-CG1 4.17Å; V71-I188 HydrophobicContact CG1-CG2 4.41Å; V71-T192 PolarHBondContact O-OG1 3.2Å
72	C	98.3	Very high	95.1	Very high	19 Å²	19	67.9 Å²	67.9	13%	0.128	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	172.1	173.8	64.3	0	0	0	0	112.5	F57 T58 R60	F57-C72 WeakPolarHBondContact CA-O 3.23Å; T58-C72 PolarHBondContact N-O 3.45Å; T58-C72 PolarHBondContact O-N 3.1Å; T58-C72 PolarHBondContact OG1-O 3.36Å; T58-C72 PolarHBondContact OG1-SG 3.49Å; R60-C72 WeakPolarHBondContact CG-SG 3.46Å
73	F	98.7	Very high	95.2	Very high	5 Å²	5	68.7 Å²	68.7	2%	0.022	36%	0.36	C	S	.	.			trans	-79	154	160.9	-74	-59.4	0	0	0	109.5	V42 L43 V44 L55 M56 F57 G75 T192 L195 A196	V42-F73 HydrophobicContact CB-CB 4.11Å; L43-F73 WeakPolarHBondContact O-CB 3.45Å; V44-F73 HydrophobicContact CG1-CE1 4.03Å; V44-F73 HydrophobicContact CG1-CZ 3.99Å; V44-F73 HydrophobicContact CG2-CD2 4.23Å; V44-F73 HydrophobicContact CG2-CE2 4.26Å; V44-F73 HydrophobicContact CG2-CG 4.44Å; V44-F73 HydrophobicContact CG2-CZ 4.49Å; L55-F73 HydrophobicContact CB-CE1 4.43Å; L55-F73 HydrophobicContact CD1-CZ 4.31Å; L55-F73 HydrophobicContact CD2-CE1 4.2Å; L55-F73 HydrophobicContact CD2-CZ 4.47Å; M56-F73 WeakPolarHBondContact O-CD1 3.41Å; F57-F73 HydrophobicContact CD1-CD1 4.05Å; F57-F73 AromaticContact CD1-CE1 3.8Å; F57-F73 HydrophobicContact CD1-CE1 3.8Å; F57-F73 HydrophobicContact CD1-CZ 4.21Å; F57-F73 HydrophobicContact CE1-CD1 4.01Å; F57-F73 AromaticContact CE1-CE1 3.33Å; F57-F73 HydrophobicContact CE1-CE1 3.33Å; F57-F73 HydrophobicContact CE1-CE2 4.05Å; F57-F73 AromaticContact CE1-CZ 3.36Å; F57-F73 HydrophobicContact CE1-CZ 3.36Å; F57-F73 AromaticContact CZ-CE1 3.77Å; F57-F73 HydrophobicContact CZ-CE1 3.77Å; F57-F73 AromaticContact CZ-CZ 3.81Å; F57-F73 HydrophobicContact CZ-CZ 3.81Å; F73-G75 PolarHBondContact O-N 3.11Å; F73-T192 HydrophobicContact CD2-CG2 4.07Å; F73-T192 HydrophobicContact CE2-CG2 4.03Å; F73-L195 HydrophobicContact CD2-CB 4.45Å; F73-L195 HydrophobicContact CD2-CD1 4.29Å; F73-L195 HydrophobicContact CE2-CB 3.79Å; F73-L195 HydrophobicContact CE2-CD1 4.44Å; F73-A196 HydrophobicContact CZ-CB 4.26Å
74	P	98.6	Very high	95.3	Very high	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-58.2	137.6	171.6	-18.4	27.1	0	0	0	111.4	V42 L43 P45 M56 T58 A93 E96	V42-P74 CarbonylContact C-O 3.51Å; V42-P74 WeakPolarHBondContact CA-O 3.48Å; L43-P74 PolarHBondContact N-O 2.86Å; P45-P74 HydrophobicContact CG-CG 4.14Å; M56-P74 HydrophobicContact CE-CG 3.52Å; T58-P74 HydrophobicContact CG2-CG 3.96Å; P74-A93 HydrophobicContact CB-CB 3.98Å; P74-E96 WeakPolarHBondContact CA-OE2 3.18Å
75	G	98.2	Very high	95.7	Very high	10 Å²	10	63.5 Å²	63.5	10%	0.103	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.2	169.6	178.1	0	0	0	0	0	114.7	S41 F73	S41-G75 CarbonylContact O-C 3.22Å; S41-G75 VanDerWaalsContact O-CA 3.24Å; S41-G75 WeakPolarHBondContact O-CA 3.46Å; F73-G75 PolarHBondContact O-N 3.11Å
76	G	96.8	Very high	96.1	Very high	12 Å²	12	54.2 Å²	54.2	12%	0.124	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	-160.4	-172.6	0	0	0	0	0	113.1	F40 S41 E92	F40-G76 CarbonylContact C-O 3.53Å; F40-G76 WeakPolarHBondContact CA-O 3.18Å; F40-G76 WeakPolarHBondContact CB-O 3.42Å; F40-G76 WeakPolarHBondContact CD1-O 3.41Å; S41-G76 PolarHBondContact N-O 2.86Å; S41-G76 PolarHBondContact O-N 2.88Å; S41-G76 VanDerWaalsContact O-N 3.08Å; G76-E92 VanDerWaalsContact CA-CD 3.44Å
77	K	96.6	Very high	96.7	Very high	119 Å²	119	50.8 Å²	50.8	52%	0.517	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	142	-173.3	-167.7	175.4	-179.2	178.5	0	109.1	F40 D79 R91 E92	F40-K77 HydrophobicContact CD1-CB 3.89Å; F40-K77 HydrophobicContact CD1-CG 4.39Å; F40-K77 HydrophobicContact CE1-CB 3.56Å; F40-K77 HydrophobicContact CE1-CD 4.43Å; F40-K77 HydrophobicContact CE1-CG 3.96Å; F40-K77 HydrophobicContact CE2-CG 4.22Å; F40-K77 HydrophobicContact CZ-CB 3.98Å; F40-K77 HydrophobicContact CZ-CD 4.03Å; F40-K77 HydrophobicContact CZ-CG 3.86Å; K77-D79 PolarHBondContact O-N 3.36Å; K77-R91 PolarHBondContact O-NH2 3.22Å; K77-E92 PolarHBondContact N-OE1 2.92Å
78	R	97.5	Very high	97.3	Very high	76 Å²	76	48 Å²	48	29%	0.287	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-62.9	128.5	172.8	-177	165.4	-178.9	170.9	-2	111.1	K39 D82 T83 D85 T88	K39-R78 HydrophobicContact CB-CB 4.08Å; K39-R78 WeakPolarHBondContact O-CB 3.38Å; K39-R78 PolarHBondContact O-N 3.11Å; R78-D82 HydrophobicContact CG-CB 4.08Å; R78-D82 PolarHBondContact NE-O 3.1Å; R78-D82 PolarHBondContact NH2-O 3.32Å; R78-T83 PolarHBondContact NH2-O 3.19Å; R78-T83 VanDerWaalsContact NH2-O 3.11Å; R78-D85 IonicContact NH1-OD1 3.7Å; R78-D85 PolarHBondContact NH1-OD1 2.87Å; R78-D85 VanDerWaalsContact NH1-OD1 3.09Å; R78-T88 HydrophobicContact CB-CG2 4.12Å; R78-T88 WeakPolarHBondContact CG-OG1 3.35Å
79	D	97.2	Very high	97.6	Very high	68 Å²	68	44.7 Å²	44.7	36%	0.364	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-91.2	147.7	171.4	-169.2	-70.1	0	0	0	110.1	K77 V81 D82	K77-D79 PolarHBondContact O-N 3.36Å; D79-V81 HydrophobicContact CB-CG2 4.17Å; D79-V81 PolarHBondContact O-N 2.9Å; D79-V81 VanDerWaalsContact O-N 3.08Å; D79-V81 WeakPolarHBondContact OD1-CG2 3.32Å; D79-V81 PolarHBondContact OD1-N 3.33Å; D79-D82 PolarHBondContact N-OD2 3.4Å; D79-D82 WeakPolarHBondContact O-CB 3.21Å; D79-D82 PolarHBondContact O-N 2.92Å
80	P	96.2	Very high	97.7	Very high	133 Å²	133	44.5 Å²	44.5	86%	0.864	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-27.5	169.4	-31.3	35.8	0	0	0	116.3
81	V	96.5	Very high	97.8	Very high	112 Å²	112	42.9 Å²	42.9	68%	0.679	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.8	178.1	-54.3	0	0	0	0	113.6	D79 T83	D79-V81 HydrophobicContact CB-CG2 4.17Å; D79-V81 PolarHBondContact O-N 2.9Å; D79-V81 VanDerWaalsContact O-N 3.08Å; D79-V81 WeakPolarHBondContact OD1-CG2 3.32Å; D79-V81 PolarHBondContact OD1-N 3.33Å; V81-T83 PolarHBondContact O-N 3.42Å
82	D	97.8	Very high	97.8	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.064	24%	0.241	C	C	.	.			trans	-72.4	119	-177.2	-64.3	-35.3	0	0	0	110.4	R78 D79 D84 A87 T88 R91	R78-D82 HydrophobicContact CG-CB 4.08Å; R78-D82 PolarHBondContact NE-O 3.1Å; R78-D82 PolarHBondContact NH2-O 3.32Å; D79-D82 PolarHBondContact N-OD2 3.4Å; D79-D82 WeakPolarHBondContact O-CB 3.21Å; D79-D82 PolarHBondContact O-N 2.92Å; D82-D84 VanDerWaalsContact C-N 3.29Å; D82-D84 PolarHBondContact O-N 3.34Å; D82-A87 HydrophobicContact CB-CB 4.24Å; D82-T88 PolarHBondContact OD2-OG1 2.81Å; D82-R91 IonicContact OD1-CZ 3.29Å; D82-R91 IonicContact OD1-NE 3.05Å; D82-R91 PolarHBondContact OD1-NE 3.44Å; D82-R91 IonicContact OD1-NH2 3.53Å; D82-R91 IonicContact OD2-CZ 3.07Å; D82-R91 IonicContact OD2-NE 2.72Å; D82-R91 PolarHBondContact OD2-NE 3.45Å; D82-R91 IonicContact OD2-NH2 2.96Å; D82-R91 PolarHBondContact OD2-NH2 3.42Å
83	T	96.9	Very high	97.8	Very high	117 Å²	117	42.3 Å²	42.3	72%	0.718	24%	0.235	S	C	*	.	S	Bend	trans	-64	-35.2	-178	51.7	0	0	0	0	112.4	R78 V81	R78-T83 PolarHBondContact NH2-O 3.19Å; R78-T83 VanDerWaalsContact NH2-O 3.11Å; V81-T83 PolarHBondContact O-N 3.42Å
84	D	97.1	Very high	97.8	Very high	67 Å²	67	45.8 Å²	45.8	36%	0.358	25%	0.251	S	S	.	.	S	Bend	trans	-155.1	-174.7	179	58.2	36.9	0	0	0	111.5	D82 T86 A87 T88	D82-D84 VanDerWaalsContact C-N 3.29Å; D82-D84 PolarHBondContact O-N 3.34Å; D84-T86 VanDerWaalsContact C-N 3.28Å; D84-T86 PolarHBondContact O-N 2.77Å; D84-T86 WeakPolarHBondContact OD1-CA 3.42Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 PolarHBondContact OD1-N 3.39Å; D84-A87 PolarHBondContact O-N 2.99Å; D84-A87 PolarHBondContact OD1-N 3.48Å; D84-T88 PolarHBondContact O-N 3.14Å; D84-T88 PolarHBondContact O-OG1 3.09Å; D84-T88 VanDerWaalsContact O-OG1 3.12Å
85	D	97.7	Very high	97.8	Very high	9 Å²	9	50 Å²	50	5%	0.048	27%	0.271	C	S	.	.	H	α-helix	trans	-70.8	-26.3	-178.6	-61.7	-18.7	0	0	0	111.6	S33 K39 S41 R78 A89 T122	S33-D85 WeakPolarHBondContact CB-OD2 3.47Å; K39-D85 VanDerWaalsContact CE-CG 3.46Å; K39-D85 WeakPolarHBondContact CE-OD1 3.19Å; K39-D85 WeakPolarHBondContact CE-OD2 3.42Å; K39-D85 VanDerWaalsContact NZ-CG 3.31Å; K39-D85 IonicContact NZ-OD1 2.76Å; K39-D85 PolarHBondContact NZ-OD1 2.79Å; K39-D85 VanDerWaalsContact NZ-OD1 3.14Å; K39-D85 IonicContact NZ-OD2 3.94Å; K39-D85 PolarHBondContact NZ-OD2 3.1Å; S41-D85 WeakPolarHBondContact CB-O 3.4Å; S41-D85 WeakPolarHBondContact OG-CB 3.25Å; S41-D85 PolarHBondContact OG-O 3.05Å; S41-D85 VanDerWaalsContact OG-O 3.09Å; R78-D85 IonicContact NH1-OD1 3.7Å; R78-D85 PolarHBondContact NH1-OD1 2.87Å; R78-D85 VanDerWaalsContact NH1-OD1 3.09Å; D85-A89 PolarHBondContact O-N 2.9Å; D85-A89 VanDerWaalsContact O-N 3.12Å; D85-T122 HydrophobicContact CB-CG2 4.11Å
86	T	98.4	Very high	97.8	Very high	25 Å²	25	50 Å²	50	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-69.2	-46	172.2	-66.9	0	0	0	0	111.1	D84 T88 A89 L90 V106 H109 V124	D84-T86 VanDerWaalsContact C-N 3.28Å; D84-T86 PolarHBondContact O-N 2.77Å; D84-T86 WeakPolarHBondContact OD1-CA 3.42Å; D84-T86 VanDerWaalsContact OD1-CB 3.3Å; D84-T86 WeakPolarHBondContact OD1-CB 3.47Å; D84-T86 PolarHBondContact OD1-N 3.39Å; T86-T88 PolarHBondContact O-N 3.12Å; T86-A89 PolarHBondContact O-N 2.78Å; T86-A89 VanDerWaalsContact O-N 3.14Å; T86-L90 HydrophobicContact CG2-CD1 3.79Å; T86-L90 HydrophobicContact CG2-CG 4.1Å; T86-L90 WeakPolarHBondContact O-CG 3.24Å; T86-L90 PolarHBondContact O-N 3.36Å; T86-V106 HydrophobicContact CG2-CB 4.44Å; T86-V106 HydrophobicContact CG2-CG1 4.25Å; T86-V106 HydrophobicContact CG2-CG2 3.91Å; T86-H109 PolarHBondContact OG1-CE1 2.77Å; T86-H109 PolarHBondContact OG1-NE2 3.37Å; T86-V124 HydrophobicContact CG2-CG1 4.48Å
87	A	98.4	Very high	97.9	Very high	24 Å²	24	49.4 Å²	49.4	20%	0.198	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-41.2	176.4	0	0	0	0	0	111.2	D82 D84 L90 R91	D82-A87 HydrophobicContact CB-CB 4.24Å; D84-A87 PolarHBondContact O-N 2.99Å; D84-A87 PolarHBondContact OD1-N 3.48Å; A87-L90 PolarHBondContact O-N 3.4Å; A87-R91 WeakPolarHBondContact O-CB 3.38Å; A87-R91 PolarHBondContact O-N 2.82Å
88	T	98.6	Very high	98	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-54.3	173.7	-51.9	0	0	0	0	111.2	R78 D82 D84 T86 L90 R91 E92	R78-T88 HydrophobicContact CB-CG2 4.12Å; R78-T88 WeakPolarHBondContact CG-OG1 3.35Å; D82-T88 PolarHBondContact OD2-OG1 2.81Å; D84-T88 PolarHBondContact O-N 3.14Å; D84-T88 PolarHBondContact O-OG1 3.09Å; D84-T88 VanDerWaalsContact O-OG1 3.12Å; T86-T88 PolarHBondContact O-N 3.12Å; T88-L90 VanDerWaalsContact C-N 3.29Å; T88-L90 PolarHBondContact O-N 2.82Å; T88-R91 PolarHBondContact O-N 2.74Å; T88-E92 HydrophobicContact CG2-CG 4.43Å; T88-E92 WeakPolarHBondContact O-CB 3.24Å; T88-E92 WeakPolarHBondContact O-CG 3.41Å; T88-E92 PolarHBondContact O-N 3.09Å; T88-E92 VanDerWaalsContact O-N 3.1Å
89	A	98.7	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.7	-38.3	-178.3	0	0	0	0	0	112.7	L43 D85 T86 A93 V124	L43-A89 HydrophobicContact CB-CB 4.31Å; D85-A89 PolarHBondContact O-N 2.9Å; D85-A89 VanDerWaalsContact O-N 3.12Å; T86-A89 PolarHBondContact O-N 2.78Å; T86-A89 VanDerWaalsContact O-N 3.14Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.19Å; A89-A93 PolarHBondContact O-N 2.79Å; A89-V124 HydrophobicContact CB-CB 3.99Å; A89-V124 HydrophobicContact CB-CG2 3.81Å
90	L	98.8	Very high	98.1	Very high	29 Å²	29	41.7 Å²	41.7	15%	0.152	23%	0.234	C	C	.	.	H	α-helix	trans	-74	-41.1	-179.6	-66.8	-178.4	0	0	0	112.7	T86 A87 T88 A93 Q94 V104 V106	T86-L90 HydrophobicContact CG2-CD1 3.79Å; T86-L90 HydrophobicContact CG2-CG 4.1Å; T86-L90 WeakPolarHBondContact O-CG 3.24Å; T86-L90 PolarHBondContact O-N 3.36Å; A87-L90 PolarHBondContact O-N 3.4Å; T88-L90 VanDerWaalsContact C-N 3.29Å; T88-L90 PolarHBondContact O-N 2.82Å; L90-A93 PolarHBondContact O-N 2.81Å; L90-Q94 WeakPolarHBondContact O-CB 3.48Å; L90-Q94 PolarHBondContact O-N 2.91Å; L90-V104 HydrophobicContact CD2-CG1 3.45Å; L90-V104 VanDerWaalsContact CD2-CG1 3.45Å; L90-V106 HydrophobicContact CD1-CG2 4.43Å; L90-V106 HydrophobicContact CD2-CG2 4.11Å
91	R	98.6	Very high	98.2	Very high	49 Å²	49	38.5 Å²	38.5	19%	0.185	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-52.3	175.8	176.2	-177.1	54.9	67.8	3.7	110.4	K77 D82 A87 T88 A93 Q94 E95	K77-R91 PolarHBondContact O-NH2 3.22Å; D82-R91 IonicContact OD1-CZ 3.29Å; D82-R91 IonicContact OD1-NE 3.05Å; D82-R91 PolarHBondContact OD1-NE 3.44Å; D82-R91 IonicContact OD1-NH2 3.53Å; D82-R91 IonicContact OD2-CZ 3.07Å; D82-R91 IonicContact OD2-NE 2.72Å; D82-R91 PolarHBondContact OD2-NE 3.45Å; D82-R91 IonicContact OD2-NH2 2.96Å; D82-R91 PolarHBondContact OD2-NH2 3.42Å; A87-R91 WeakPolarHBondContact O-CB 3.38Å; A87-R91 PolarHBondContact O-N 2.82Å; T88-R91 PolarHBondContact O-N 2.74Å; R91-A93 PolarHBondContact O-N 2.92Å; R91-Q94 WeakPolarHBondContact O-CB 3.37Å; R91-Q94 PolarHBondContact O-N 2.87Å; R91-Q94 VanDerWaalsContact O-N 3.1Å; R91-E95 WeakPolarHBondContact CG-OE1 3.38Å; R91-E95 IonicContact NH1-OE1 3.35Å; R91-E95 IonicContact NH1-OE2 3.69Å; R91-E95 PolarHBondContact NH1-OE2 2.9Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.27Å
92	E	98.6	Very high	98.2	Very high	21 Å²	21	40.5 Å²	40.5	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-62	-43.2	-179.5	-63.9	-79.8	173.1	0	0	111.1	G76 K77 T88 Q94 E95 E96	G76-E92 VanDerWaalsContact CA-CD 3.44Å; K77-E92 PolarHBondContact N-OE1 2.92Å; T88-E92 HydrophobicContact CG2-CG 4.43Å; T88-E92 WeakPolarHBondContact O-CB 3.24Å; T88-E92 WeakPolarHBondContact O-CG 3.41Å; T88-E92 PolarHBondContact O-N 3.09Å; T88-E92 VanDerWaalsContact O-N 3.1Å; E92-Q94 VanDerWaalsContact C-N 3.28Å; E92-Q94 PolarHBondContact O-N 3Å; E92-E95 PolarHBondContact O-N 3.31Å; E92-E96 WeakPolarHBondContact O-CB 3.3Å; E92-E96 WeakPolarHBondContact O-CG 3.4Å; E92-E96 PolarHBondContact O-N 2.85Å
93	A	98.8	Very high	98.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.8	-33.1	175.4	0	0	0	0	0	112.9	L43 P74 A89 L90 R91 V97 L99	L43-A93 HydrophobicContact CB-CB 4.4Å; L43-A93 HydrophobicContact CD2-CB 3.76Å; P74-A93 HydrophobicContact CB-CB 3.98Å; A89-A93 VanDerWaalsContact O-CB 3.24Å; A89-A93 WeakPolarHBondContact O-CB 3.19Å; A89-A93 PolarHBondContact O-N 2.79Å; L90-A93 PolarHBondContact O-N 2.81Å; R91-A93 PolarHBondContact O-N 2.92Å; A93-V97 WeakPolarHBondContact O-CG2 3.42Å; A93-V97 PolarHBondContact O-N 3.49Å; A93-V97 VanDerWaalsContact O-N 3.11Å; A93-L99 HydrophobicContact CB-CB 4.34Å; A93-L99 HydrophobicContact CB-CD2 4.11Å; A93-L99 PolarHBondContact O-N 3.4Å
94	Q	98.6	Very high	98.3	Very high	79 Å²	79	36.7 Å²	36.7	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-67.9	-43.9	173.7	-170.3	179.6	-32.2	0	0	111.5	L90 R91 E92 G98 L99 H100	L90-Q94 WeakPolarHBondContact O-CB 3.48Å; L90-Q94 PolarHBondContact O-N 2.91Å; R91-Q94 WeakPolarHBondContact O-CB 3.37Å; R91-Q94 PolarHBondContact O-N 2.87Å; R91-Q94 VanDerWaalsContact O-N 3.1Å; E92-Q94 VanDerWaalsContact C-N 3.28Å; E92-Q94 PolarHBondContact O-N 3Å; Q94-G98 WeakPolarHBondContact O-CA 3.45Å; Q94-G98 PolarHBondContact O-N 3.19Å; Q94-L99 WeakPolarHBondContact CA-O 3.37Å; Q94-L99 VanDerWaalsContact CB-O 3.31Å; Q94-L99 WeakPolarHBondContact CB-O 3.12Å; Q94-H100 PolarHBondContact NE2-ND1 3.47Å
95	E	98.2	Very high	98.4	Very high	88 Å²	88	37.6 Å²	37.6	41%	0.411	19%	0.191	S	C	.	.	H	α-helix	trans	-64.8	-44.2	178.9	-72.3	166	-177.7	0	0	112	R91 E92 N137	R91-E95 WeakPolarHBondContact CG-OE1 3.38Å; R91-E95 IonicContact NH1-OE1 3.35Å; R91-E95 IonicContact NH1-OE2 3.69Å; R91-E95 PolarHBondContact NH1-OE2 2.9Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.27Å; E92-E95 PolarHBondContact O-N 3.31Å; E95-N137 VanDerWaalsContact O-CB 3.25Å; E95-N137 WeakPolarHBondContact O-CB 3.33Å
96	E	98.5	Very high	98.4	Very high	9 Å²	9	39.4 Å²	39.4	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-78.2	-41.6	-174.4	-76.1	-171.9	-176.4	0	0	113.6	P74 E92 P136 N137 V141	P74-E96 WeakPolarHBondContact CA-OE2 3.18Å; E92-E96 WeakPolarHBondContact O-CB 3.3Å; E92-E96 WeakPolarHBondContact O-CG 3.4Å; E92-E96 PolarHBondContact O-N 2.85Å; E96-P136 WeakPolarHBondContact O-CA 3.34Å; E96-N137 PolarHBondContact O-N 2.84Å; E96-V141 HydrophobicContact CB-CG2 3.73Å; E96-V141 HydrophobicContact CG-CG2 4.1Å
97	V	98.7	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-132	7.7	-169.9	-58.5	0	0	0	0	114.7	M56 T58 A93 L99 F132 A134 Q135 V141 V144	M56-V97 HydrophobicContact CE-CB 4.47Å; M56-V97 HydrophobicContact CE-CG1 4.37Å; M56-V97 HydrophobicContact CE-CG2 3.79Å; T58-V97 HydrophobicContact CG2-CG1 3.62Å; A93-V97 WeakPolarHBondContact O-CG2 3.42Å; A93-V97 PolarHBondContact O-N 3.49Å; A93-V97 VanDerWaalsContact O-N 3.11Å; V97-L99 VanDerWaalsContact C-N 3.28Å; V97-L99 HydrophobicContact CG2-CB 3.96Å; V97-L99 PolarHBondContact O-N 3.39Å; V97-F132 HydrophobicContact CG2-CZ 4.19Å; V97-A134 HydrophobicContact CB-CB 4.45Å; V97-Q135 CarbonylContact C-O 3.53Å; V97-Q135 VanDerWaalsContact C-O 3.28Å; V97-Q135 PolarHBondContact O-N 3.09Å; V97-V141 HydrophobicContact CG1-CG2 4.45Å; V97-V144 HydrophobicContact CB-CG2 4.48Å; V97-V144 HydrophobicContact CG1-CG2 3.62Å
98	G	98.4	Very high	98.4	Very high	17 Å²	17	37.7 Å²	37.7	18%	0.175	19%	0.19	C	C	.	.			trans	70.2	21.5	179.2	0	0	0	0	0	114.1	Q94 H100	Q94-G98 WeakPolarHBondContact O-CA 3.45Å; Q94-G98 PolarHBondContact O-N 3.19Å; G98-H100 PolarHBondContact O-N 2.98Å
99	L	98.7	Very high	98.4	Very high	2 Å²	2	39 Å²	39	1%	0.01	20%	0.196	C	C	.	.			trans	-78.4	103.6	179.4	-179.5	65.6	0	0	0	111.1	L43 A93 Q94 V97 Q103 V104 L128 F132	L43-L99 HydrophobicContact CD2-CD2 3.33Å; A93-L99 HydrophobicContact CB-CB 4.34Å; A93-L99 HydrophobicContact CB-CD2 4.11Å; A93-L99 PolarHBondContact O-N 3.4Å; Q94-L99 WeakPolarHBondContact CA-O 3.37Å; Q94-L99 VanDerWaalsContact CB-O 3.31Å; Q94-L99 WeakPolarHBondContact CB-O 3.12Å; V97-L99 VanDerWaalsContact C-N 3.28Å; V97-L99 HydrophobicContact CG2-CB 3.96Å; V97-L99 PolarHBondContact O-N 3.39Å; L99-Q103 HydrophobicContact CD1-CB 3.81Å; L99-V104 HydrophobicContact CD1-CB 4.37Å; L99-V104 HydrophobicContact CD2-CB 4.11Å; L99-V104 HydrophobicContact CD2-CG1 4.12Å; L99-V104 HydrophobicContact CD2-CG2 4.5Å; L99-V104 HydrophobicContact CG-CB 4.42Å; L99-V104 HydrophobicContact CG-CG1 4.26Å; L99-L128 HydrophobicContact CD1-CD2 3.64Å; L99-L128 HydrophobicContact CD2-CD2 3.54Å; L99-L128 HydrophobicContact CG-CD2 4.26Å; L99-F132 HydrophobicContact CB-CE2 3.78Å; L99-F132 HydrophobicContact CB-CZ 4.06Å; L99-F132 HydrophobicContact CD1-CD1 4.45Å; L99-F132 HydrophobicContact CD1-CD2 3.43Å; L99-F132 VanDerWaalsContact CD1-CD2 3.43Å; L99-F132 HydrophobicContact CD1-CE1 4.49Å; L99-F132 HydrophobicContact CD1-CE2 3.51Å; L99-F132 HydrophobicContact CD1-CG 3.93Å; L99-F132 HydrophobicContact CD1-CZ 4.04Å; L99-F132 HydrophobicContact CG-CE2 4.26Å
100	H	98.3	Very high	98.4	Very high	82 Å²	82	39 Å²	39	38%	0.38	20%	0.196	S	C	.	.			trans	-74.4	148.9	176.4	-70.1	-74.1	0	0	0	112.2	Q94 G98 H102 Q103	Q94-H100 PolarHBondContact NE2-ND1 3.47Å; G98-H100 PolarHBondContact O-N 2.98Å; H100-H102 WeakPolarHBondContact CB-CE1 3.49Å; H100-H102 WeakPolarHBondContact CB-ND1 3.46Å; H100-H102 AromaticContact CG-CE1 3.9Å; H100-H102 PolarHBondContact O-N 3.29Å; H100-Q103 HydrophobicContact CB-CG 4.27Å; H100-Q103 WeakPolarHBondContact O-CB 3.21Å; H100-Q103 PolarHBondContact O-N 3.29Å
101	P	97.3	Very high	98.3	Very high	66 Å²	66	38.2 Å²	38.2	43%	0.429	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-55.1	-30.5	-178.5	-30.3	35.6	0	0	0	115.5	Q103 V104	P101-Q103 PolarHBondContact O-N 3.12Å; P101-V104 PolarHBondContact O-N 2.97Å; P101-V104 VanDerWaalsContact O-O 3.1Å
102	H	97.6	Very high	98.2	Very high	155 Å²	155	36.2 Å²	36.2	72%	0.718	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-75.5	-10.8	177.9	68.4	-87.8	0	0	0	113.7	H100	H100-H102 WeakPolarHBondContact CB-CE1 3.49Å; H100-H102 WeakPolarHBondContact CB-ND1 3.46Å; H100-H102 AromaticContact CG-CE1 3.9Å; H100-H102 PolarHBondContact O-N 3.29Å
103	Q	98.4	Very high	97.9	Very high	34 Å²	34	37.6 Å²	37.6	16%	0.159	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-97.1	7.2	178.5	-56.8	178.4	-72.2	0	0	112	L99 H100 P101 L128 D129	L99-Q103 HydrophobicContact CD1-CB 3.81Å; H100-Q103 HydrophobicContact CB-CG 4.27Å; H100-Q103 WeakPolarHBondContact O-CB 3.21Å; H100-Q103 PolarHBondContact O-N 3.29Å; P101-Q103 PolarHBondContact O-N 3.12Å; Q103-L128 CarbonylContact O-C 3.57Å; Q103-L128 WeakPolarHBondContact O-CA 3.44Å; Q103-D129 HydrophobicContact CB-CB 4.28Å; Q103-D129 PolarHBondContact O-N 3.3Å
104	V	98.5	Very high	97.5	Very high	15 Å²	15	38.2 Å²	38.2	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	127.5	178.4	58	0	0	0	0	111.1	L43 L90 L99 P101 F127 L128	L43-V104 HydrophobicContact CD1-CG2 4.36Å; L43-V104 HydrophobicContact CD2-CG2 4.47Å; L90-V104 HydrophobicContact CD2-CG1 3.45Å; L90-V104 VanDerWaalsContact CD2-CG1 3.45Å; L99-V104 HydrophobicContact CD1-CB 4.37Å; L99-V104 HydrophobicContact CD2-CB 4.11Å; L99-V104 HydrophobicContact CD2-CG1 4.12Å; L99-V104 HydrophobicContact CD2-CG2 4.5Å; L99-V104 HydrophobicContact CG-CB 4.42Å; L99-V104 HydrophobicContact CG-CG1 4.26Å; P101-V104 PolarHBondContact O-N 2.97Å; P101-V104 VanDerWaalsContact O-O 3.1Å; V104-F127 VanDerWaalsContact CA-O 3.3Å; V104-F127 WeakPolarHBondContact CA-O 3.47Å; V104-L128 HydrophobicContact CB-CD2 4.37Å; V104-L128 HydrophobicContact CG2-CD2 4.34Å
105	E	98.4	Very high	96.8	Very high	85 Å²	85	37 Å²	37	40%	0.397	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	111.2	169.5	-177.5	-174.6	151	0	0	108.9	K20 R24 V107 G126 F127	K20-E105 VanDerWaalsContact CE-OE1 3.24Å; K20-E105 WeakPolarHBondContact CE-OE1 3.27Å; K20-E105 WeakPolarHBondContact CE-OE2 3.19Å; K20-E105 IonicContact NZ-OE1 2.57Å; K20-E105 PolarHBondContact NZ-OE1 3.17Å; K20-E105 IonicContact NZ-OE2 3.09Å; K20-E105 PolarHBondContact NZ-OE2 3.03Å; R24-E105 IonicContact NH2-OE1 3.48Å; E105-V107 WeakPolarHBondContact O-CG2 3.17Å; E105-G126 CarbonylContact O-C 3.59Å; E105-G126 WeakPolarHBondContact O-CA 3.08Å; E105-F127 PolarHBondContact N-O 3.25Å; E105-F127 PolarHBondContact O-N 2.98Å
106	V	98.6	Very high	95.6	Very high	47 Å²	47	37.8 Å²	37.8	29%	0.285	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.7	173.7	175.4	0	0	0	0	109.6	T86 L90 V124	T86-V106 HydrophobicContact CG2-CB 4.44Å; T86-V106 HydrophobicContact CG2-CG1 4.25Å; T86-V106 HydrophobicContact CG2-CG2 3.91Å; L90-V106 HydrophobicContact CD1-CG2 4.43Å; L90-V106 HydrophobicContact CD2-CG2 4.11Å; V106-V124 HydrophobicContact CB-CG1 4.39Å; V106-V124 HydrophobicContact CG1-CG1 3.44Å; V106-V124 VanDerWaalsContact CG1-CG1 3.44Å; V106-V124 HydrophobicContact CG2-CG1 4.05Å
107	V	98.4	Very high	94.4	Very high	13 Å²	13	44.4 Å²	44.4	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-38.1	-170.3	-179.7	0	0	0	0	112.9	K20 L23 R24 E105 V125 F127	K20-V107 HydrophobicContact CB-CG1 4.09Å; K20-V107 HydrophobicContact CD-CG2 4.43Å; K20-V107 HydrophobicContact CG-CG1 4Å; K20-V107 HydrophobicContact CG-CG2 3.91Å; L23-V107 HydrophobicContact CB-CG1 3.89Å; L23-V107 HydrophobicContact CD1-CG1 4.27Å; R24-V107 HydrophobicContact CG-CG1 4.07Å; E105-V107 WeakPolarHBondContact O-CG2 3.17Å; V107-V125 PolarHBondContact N-O 2.74Å; V107-F127 HydrophobicContact CG2-CD2 3.68Å; V107-F127 HydrophobicContact CG2-CE2 4.17Å
108	S	98.3	Very high	93.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.007	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	158.1	-178	62.3	0	0	0	0	112.8	L23 V125	L23-S108 WeakPolarHBondContact O-CB 3.38Å; S108-V125 PolarHBondContact O-N 3.43Å
109	H	98.4	Very high	93.4	Very high	27 Å²	27	45.7 Å²	45.7	13%	0.125	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.8	164.9	-57.8	80.2	0	0	0	108.4	D27 V28 T86 P123	D27-H109 WeakPolarHBondContact CA-O 3.34Å; D27-H109 PolarHBondContact OD1-N 3.41Å; D27-H109 IonicContact OD1-ND1 3.17Å; V28-H109 HydrophobicContact CG2-CB 4.48Å; V28-H109 WeakPolarHBondContact CG2-O 3.39Å; V28-H109 PolarHBondContact N-O 2.86Å; T86-H109 PolarHBondContact OG1-CE1 2.77Å; T86-H109 PolarHBondContact OG1-NE2 3.37Å; H109-P123 WeakPolarHBondContact CA-O 3.16Å
110	L	98	Very high	93.2	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-88.5	168.1	175.2	-54	-176.7	0	0	0	110.9	V28 P123 V125 L198 V199 I202	V28-L110 WeakPolarHBondContact CG2-O 3.44Å; L110-P123 HydrophobicContact CB-CB 4.1Å; L110-P123 HydrophobicContact CB-CG 4.11Å; L110-P123 PolarHBondContact N-O 2.91Å; L110-V125 HydrophobicContact CD1-CG2 3.76Å; L110-V125 HydrophobicContact CD2-CG2 4.04Å; L110-V125 HydrophobicContact CG-CG2 3.67Å; L110-L198 HydrophobicContact CD1-CD2 4.16Å; L110-V199 HydrophobicContact CD1-CG2 3.66Å; L110-I202 HydrophobicContact CD2-CD1 4.03Å
111	V	96.4	Very high	93.2	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.067	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-53.5	127.8	174.2	-175.7	0	0	0	0	109.7	V28 I220 C223 E224 F227	V28-V111 HydrophobicContact CG1-CG2 3.93Å; V111-I220 HydrophobicContact CG2-CG2 4.17Å; V111-C223 HydrophobicContact CB-CB 4.08Å; V111-C223 HydrophobicContact CG1-CB 4.33Å; V111-C223 HydrophobicContact CG2-CB 3.8Å; V111-E224 HydrophobicContact CG1-CG 4.19Å; V111-E224 HydrophobicContact CG2-CG 3.58Å; V111-F227 HydrophobicContact CG1-CB 3.52Å; V111-F227 HydrophobicContact CG1-CD1 4.12Å; V111-F227 HydrophobicContact CG1-CG 3.86Å
112	P	96.2	Very high	93.2	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.052	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-62.2	158.7	-179.9	-23.1	32.8	0	0	0	113.4	Y32 V121 F227	Y32-P112 HydrophobicContact CD2-CG 4.06Å; Y32-P112 HydrophobicContact CG-CG 4.27Å; P112-V121 CarbonylContact C-O 3.59Å; P112-V121 VanDerWaalsContact CA-O 3.25Å; P112-V121 WeakPolarHBondContact CA-O 3.46Å; P112-V121 WeakPolarHBondContact CB-O 3.42Å; P112-F227 HydrophobicContact CB-CD2 4.24Å; P112-F227 HydrophobicContact CB-CE2 3.83Å; P112-F227 HydrophobicContact CB-CZ 4.18Å; P112-F227 HydrophobicContact CG-CE2 4.44Å; P112-F227 HydrophobicContact CG-CZ 4.32Å; P112-F227 WeakPolarHBondContact O-CD2 3.4Å
113	Y	92.9	Very high	93.2	Very high	49 Å²	49	31.9 Å²	31.9	19%	0.192	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	133.8	172.2	-158.7	-92.8	0	0	0	110.3	V121 M191 K194 R230	Y113-V121 PolarHBondContact N-O 2.79Å; Y113-V121 PolarHBondContact O-N 2.77Å; Y113-M191 HydrophobicContact CD1-CB 4.27Å; Y113-M191 HydrophobicContact CD1-CG 3.78Å; Y113-M191 HydrophobicContact CD1-SD 3.65Å; Y113-M191 HydrophobicContact CD2-CG 4.12Å; Y113-M191 HydrophobicContact CE1-CB 4.22Å; Y113-M191 HydrophobicContact CE1-CG 4.2Å; Y113-M191 HydrophobicContact CE1-SD 4.47Å; Y113-M191 HydrophobicContact CG-CG 3.73Å; Y113-M191 HydrophobicContact CG-SD 3.8Å; Y113-K194 HydrophobicContact CE2-CD 4.21Å; Y113-R230 PolarHBondContact OH-NH1 3Å
114	V	90.8	Very high	93.3	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.085	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	125.7	173.1	-175.5	0	0	0	0	108.8	A119 L120 F227 R230 Y231	V114-A119 WeakPolarHBondContact CA-O 3.42Å; V114-L120 HydrophobicContact CB-CD2 4.4Å; V114-L120 HydrophobicContact CG2-CD2 3.75Å; V114-F227 HydrophobicContact CG2-CD2 3.74Å; V114-F227 HydrophobicContact CG2-CE2 3.64Å; V114-R230 HydrophobicContact CB-CB 4.06Å; V114-R230 HydrophobicContact CG2-CB 3.99Å; V114-Y231 HydrophobicContact CG2-CD2 4.35Å
115	F	83.7	Confident	93.3	Very high	54 Å²	54	29.6 Å²	29.6	24%	0.237	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	155.5	179.3	-175.1	-92.9	0	0	0	109.9	N117 D118 A119 V121	F115-N117 PolarHBondContact O-N 3.42Å; F115-D118 PolarHBondContact O-N 2.98Å; F115-A119 PolarHBondContact N-O 2.97Å; F115-A119 WeakPolarHBondContact O-CA 3.26Å; F115-A119 VanDerWaalsContact O-CB 3.24Å; F115-A119 WeakPolarHBondContact O-CB 3.48Å; F115-A119 PolarHBondContact O-N 2.85Å; F115-A119 VanDerWaalsContact O-O 3.12Å; F115-V121 HydrophobicContact CB-CG2 4.38Å
116	D	73.6	Confident	93.3	Very high	103 Å²	103	25.5 Å²	25.5	55%	0.551	13%	0.134	S	C	*	.	G	3₁₀ helix	trans	25.3	84.5	177.5	-77.7	0.1	0	0	0	116.4	D118 A119	D116-D118 PolarHBondContact O-N 2.87Å; D116-A119 PolarHBondContact O-N 3.36Å
117	N	73.9	Confident	93.3	Very high	148 Å²	148	23.8 Å²	23.8	79%	0.791	12%	0.123	S	C	*	.	G	3₁₀ helix	trans	59.4	7.7	165.7	-64.5	-13.1	0	0	0	118.5	F115	F115-N117 PolarHBondContact O-N 3.42Å
118	D	83.9	Confident	93.3	Very high	43 Å²	43	23.7 Å²	23.7	23%	0.23	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	150	1.1	166.3	67	-0.8	0	0	0	113.2	S36 N38 F115 D116 L120 K235	S36-D118 WeakPolarHBondContact CB-O 3.4Å; S36-D118 PolarHBondContact OG-O 2.96Å; N38-D118 PolarHBondContact ND2-OD1 2.86Å; F115-D118 PolarHBondContact O-N 2.98Å; D116-D118 PolarHBondContact O-N 2.87Å; D118-L120 PolarHBondContact O-N 2.88Å; D118-K235 IonicContact OD2-NZ 3.48Å; D118-K235 PolarHBondContact OD2-NZ 3.08Å
119	A	91.4	Very high	93.2	Very high	2 Å²	2	26.4 Å²	26.4	2%	0.017	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	129.8	175.4	0	0	0	0	0	110.1	N38 F40 V114 F115 D116	N38-A119 WeakPolarHBondContact ND2-CB 3.36Å; N38-A119 VanDerWaalsContact O-CA 3.32Å; N38-A119 WeakPolarHBondContact O-CA 3.43Å; F40-A119 HydrophobicContact CD2-CB 4.19Å; F40-A119 HydrophobicContact CE2-CB 4.1Å; V114-A119 WeakPolarHBondContact CA-O 3.42Å; F115-A119 PolarHBondContact N-O 2.97Å; F115-A119 WeakPolarHBondContact O-CA 3.26Å; F115-A119 VanDerWaalsContact O-CB 3.24Å; F115-A119 WeakPolarHBondContact O-CB 3.48Å; F115-A119 PolarHBondContact O-N 2.85Å; F115-A119 VanDerWaalsContact O-O 3.12Å; D116-A119 PolarHBondContact O-N 3.36Å
120	L	95.3	Very high	93	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	118.4	177.3	-68.9	-173.5	0	0	0	110.2	L35 S36 N38 F40 V114 D118 F227 Y231	L35-L120 HydrophobicContact CB-CD1 3.71Å; S36-L120 VanDerWaalsContact CB-CD1 3.49Å; N38-L120 PolarHBondContact O-N 3.39Å; F40-L120 PolarHBondContact N-O 2.99Å; F40-L120 VanDerWaalsContact O-O 3.05Å; V114-L120 HydrophobicContact CB-CD2 4.4Å; V114-L120 HydrophobicContact CG2-CD2 3.75Å; D118-L120 PolarHBondContact O-N 2.88Å; L120-F227 HydrophobicContact CD2-CE2 3.67Å; L120-F227 HydrophobicContact CD2-CZ 4.2Å; L120-Y231 HydrophobicContact CD1-CD2 4.5Å; L120-Y231 HydrophobicContact CD1-CE2 4.27Å; L120-Y231 HydrophobicContact CD2-CD2 4.01Å; L120-Y231 HydrophobicContact CD2-CE2 4.44Å
121	V	96.8	Very high	92.8	Very high	9 Å²	9	34.4 Å²	34.4	6%	0.055	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.4	172.3	-175.8	0	0	0	0	108.7	F40 V42 P112 Y113 F115 P123 M191	F40-V121 HydrophobicContact CB-CB 4.5Å; F40-V121 HydrophobicContact CB-CG2 4.03Å; F40-V121 CarbonylContact O-C 3.5Å; F40-V121 WeakPolarHBondContact O-CA 3.36Å; V42-V121 HydrophobicContact CB-CG1 4.4Å; V42-V121 HydrophobicContact CG1-CG1 3.78Å; V42-V121 HydrophobicContact CG2-CG1 3.84Å; P112-V121 CarbonylContact C-O 3.59Å; P112-V121 VanDerWaalsContact CA-O 3.25Å; P112-V121 WeakPolarHBondContact CA-O 3.46Å; P112-V121 WeakPolarHBondContact CB-O 3.42Å; Y113-V121 PolarHBondContact N-O 2.79Å; Y113-V121 PolarHBondContact O-N 2.77Å; F115-V121 HydrophobicContact CB-CG2 4.38Å; V121-P123 WeakPolarHBondContact O-CD 3.47Å; V121-M191 HydrophobicContact CB-CE 4.39Å; V121-M191 HydrophobicContact CB-SD 3.92Å; V121-M191 HydrophobicContact CG1-CE 3.91Å; V121-M191 HydrophobicContact CG1-SD 3.99Å; V121-M191 HydrophobicContact CG2-CE 4.21Å; V121-M191 HydrophobicContact CG2-SD 3.92Å
122	T	98	Very high	92.9	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	114.7	176.7	-52.5	0	0	0	0	109.9	F40 S41 V42 D85	F40-T122 PolarHBondContact O-N 3.03Å; S41-T122 VanDerWaalsContact CA-O 3.31Å; S41-T122 WeakPolarHBondContact CA-O 3.05Å; V42-T122 PolarHBondContact N-O 2.88Å; D85-T122 HydrophobicContact CB-CG2 4.11Å
123	P	98.6	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.7	176.4	-5.9	23.8	0	0	0	110.3	V42 V44 H109 L110 V121 L195	V42-P123 HydrophobicContact CG2-CB 4.16Å; V44-P123 HydrophobicContact CG2-CB 4.13Å; H109-P123 WeakPolarHBondContact CA-O 3.16Å; L110-P123 HydrophobicContact CB-CB 4.1Å; L110-P123 HydrophobicContact CB-CG 4.11Å; L110-P123 PolarHBondContact N-O 2.91Å; V121-P123 WeakPolarHBondContact O-CD 3.47Å; P123-L195 HydrophobicContact CB-CD1 4.14Å; P123-L195 HydrophobicContact CB-CD2 3.89Å; P123-L195 HydrophobicContact CG-CD1 4.06Å; P123-L195 HydrophobicContact CG-CD2 3.45Å; P123-L195 VanDerWaalsContact CG-CD2 3.45Å; P123-L195 HydrophobicContact CG-CG 4.42Å
124	V	98.8	Very high	93.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.8	177.4	-177.5	0	0	0	0	107.5	V42 L43 V44 T86 A89 V106	V42-V124 PolarHBondContact O-N 2.78Å; L43-V124 CarbonylContact C-O 3.56Å; L43-V124 WeakPolarHBondContact CA-O 3.32Å; L43-V124 HydrophobicContact CD1-CG1 4.42Å; V44-V124 PolarHBondContact N-O 2.86Å; T86-V124 HydrophobicContact CG2-CG1 4.48Å; A89-V124 HydrophobicContact CB-CB 3.99Å; A89-V124 HydrophobicContact CB-CG2 3.81Å; V106-V124 HydrophobicContact CB-CG1 4.39Å; V106-V124 HydrophobicContact CG1-CG1 3.44Å; V106-V124 VanDerWaalsContact CG1-CG1 3.44Å; V106-V124 HydrophobicContact CG2-CG1 4.05Å
125	V	98.9	Very high	93.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	128.5	-179.3	-168.8	0	0	0	0	109.4	L23 V44 L46 V107 S108 L110	L23-V125 HydrophobicContact CD1-CG1 3.77Å; L23-V125 HydrophobicContact CD2-CB 4.37Å; L23-V125 HydrophobicContact CD2-CG1 3.99Å; L23-V125 HydrophobicContact CD2-CG2 4.22Å; V44-V125 HydrophobicContact CB-CG2 4.23Å; L46-V125 HydrophobicContact CD1-CG1 3.68Å; L46-V125 HydrophobicContact CG-CG1 4.47Å; V107-V125 PolarHBondContact N-O 2.74Å; S108-V125 PolarHBondContact O-N 3.43Å; L110-V125 HydrophobicContact CD1-CG2 3.76Å; L110-V125 HydrophobicContact CD2-CG2 4.04Å; L110-V125 HydrophobicContact CG-CG2 3.67Å
126	G	98.6	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.7	179.9	0	0	0	0	0	113.2	V44 P45 L46 E105	V44-G126 PolarHBondContact O-N 3.24Å; V44-G126 VanDerWaalsContact O-N 3.1Å; P45-G126 WeakPolarHBondContact CA-O 3.24Å; L46-G126 PolarHBondContact N-O 3.12Å; E105-G126 CarbonylContact O-C 3.59Å; E105-G126 WeakPolarHBondContact O-CA 3.08Å
127	F	98.5	Very high	95.4	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.2	172.6	-82.2	-100	0	0	0	110.2	I16 A19 K20 L23 L46 L53 V104 E105 V107	I16-F127 HydrophobicContact CB-CD1 4.48Å; I16-F127 HydrophobicContact CB-CE1 4.28Å; I16-F127 HydrophobicContact CG1-CD1 4.13Å; I16-F127 HydrophobicContact CG1-CE1 4.05Å; I16-F127 HydrophobicContact CG2-CD1 3.84Å; I16-F127 HydrophobicContact CG2-CE1 3.93Å; I16-F127 HydrophobicContact CG2-CG 4.29Å; I16-F127 HydrophobicContact CG2-CZ 4.45Å; A19-F127 HydrophobicContact CB-CE1 4.47Å; A19-F127 HydrophobicContact CB-CZ 3.69Å; K20-F127 HydrophobicContact CG-CD2 4.1Å; K20-F127 HydrophobicContact CG-CE2 3.8Å; K20-F127 HydrophobicContact CG-CZ 4.39Å; L23-F127 HydrophobicContact CD1-CE2 3.77Å; L23-F127 HydrophobicContact CD1-CZ 4.39Å; L46-F127 HydrophobicContact CB-CD1 4.06Å; L46-F127 HydrophobicContact CB-CD2 4.5Å; L46-F127 HydrophobicContact CB-CE1 4.03Å; L46-F127 HydrophobicContact CB-CE2 4.48Å; L46-F127 HydrophobicContact CB-CG 4.31Å; L46-F127 HydrophobicContact CB-CZ 4.24Å; L46-F127 HydrophobicContact CD1-CD2 4.4Å; L46-F127 HydrophobicContact CD1-CE1 4.35Å; L46-F127 HydrophobicContact CD1-CE2 3.78Å; L46-F127 HydrophobicContact CD1-CZ 3.74Å; L46-F127 CarbonylContact O-C 3.58Å; L46-F127 WeakPolarHBondContact O-CA 3.19Å; L53-F127 HydrophobicContact CD2-CE1 3.86Å; V104-F127 VanDerWaalsContact CA-O 3.3Å; V104-F127 WeakPolarHBondContact CA-O 3.47Å; E105-F127 PolarHBondContact N-O 3.25Å; E105-F127 PolarHBondContact O-N 2.98Å; V107-F127 HydrophobicContact CG2-CD2 3.68Å; V107-F127 HydrophobicContact CG2-CE2 4.17Å
128	L	98.4	Very high	96.5	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.052	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.3	175.5	-59.9	-178.1	0	0	0	110.8	P45 L46 L47 M56 L99 Q103 V104 F132 F146	P45-L128 HydrophobicContact CB-CD1 3.89Å; P45-L128 HydrophobicContact CB-CD2 3.88Å; P45-L128 HydrophobicContact CB-CG 3.9Å; L46-L128 PolarHBondContact O-N 3.46Å; L47-L128 HydrophobicContact CB-CD1 4.37Å; L47-L128 HydrophobicContact CD1-CB 4.09Å; M56-L128 HydrophobicContact CB-CD1 4.34Å; M56-L128 HydrophobicContact SD-CD1 3.98Å; L99-L128 HydrophobicContact CD1-CD2 3.64Å; L99-L128 HydrophobicContact CD2-CD2 3.54Å; L99-L128 HydrophobicContact CG-CD2 4.26Å; Q103-L128 CarbonylContact O-C 3.57Å; Q103-L128 WeakPolarHBondContact O-CA 3.44Å; V104-L128 HydrophobicContact CB-CD2 4.37Å; V104-L128 HydrophobicContact CG2-CD2 4.34Å; L128-F132 HydrophobicContact CD1-CD1 3.85Å; L128-F132 HydrophobicContact CD1-CE1 4.17Å; L128-F146 HydrophobicContact CD1-CE1 4.19Å
129	D	96.3	Very high	97.1	Very high	58 Å²	58	43.9 Å²	43.9	31%	0.31	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-59.8	146.7	165.5	-179.5	-108.5	0	0	0	110.1	Q103 N131 F132	Q103-D129 HydrophobicContact CB-CB 4.28Å; Q103-D129 PolarHBondContact O-N 3.3Å; D129-N131 PolarHBondContact O-N 3.47Å; D129-N131 WeakPolarHBondContact OD1-CA 2.75Å; D129-N131 VanDerWaalsContact OD1-CB 3.28Å; D129-N131 WeakPolarHBondContact OD1-CB 3.48Å; D129-N131 PolarHBondContact OD1-N 3.08Å; D129-N131 PolarHBondContact OD1-ND2 3.26Å; D129-F132 VanDerWaalsContact O-CB 3.26Å; D129-F132 WeakPolarHBondContact O-CB 3.31Å; D129-F132 PolarHBondContact O-N 3.43Å; D129-F132 VanDerWaalsContact O-N 3.13Å
130	H	94	Very high	97.3	Very high	93 Å²	93	46.7 Å²	46.7	43%	0.431	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.3	-177.4	72.3	-78.9	0	0	0	115.3
131	N	94.5	Very high	97.4	Very high	104 Å²	104	46.8 Å²	46.8	56%	0.556	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	2.1	177.6	-57.1	-53.6	0	0	0	112.1	D129 Q133	D129-N131 PolarHBondContact O-N 3.47Å; D129-N131 WeakPolarHBondContact OD1-CA 2.75Å; D129-N131 VanDerWaalsContact OD1-CB 3.28Å; D129-N131 WeakPolarHBondContact OD1-CB 3.48Å; D129-N131 PolarHBondContact OD1-N 3.08Å; D129-N131 PolarHBondContact OD1-ND2 3.26Å; N131-Q133 PolarHBondContact O-N 3.33Å
132	F	97.4	Very high	97.5	Very high	15 Å²	15	52 Å²	52	7%	0.066	27%	0.274	C	S	.	.			trans	-58.5	128.9	175.1	172.4	-106.8	0	0	0	110.2	M56 V97 L99 L128 D129 A134	M56-F132 HydrophobicContact SD-CE1 3.64Å; M56-F132 HydrophobicContact SD-CZ 4.36Å; V97-F132 HydrophobicContact CG2-CZ 4.19Å; L99-F132 HydrophobicContact CB-CE2 3.78Å; L99-F132 HydrophobicContact CB-CZ 4.06Å; L99-F132 HydrophobicContact CD1-CD1 4.45Å; L99-F132 HydrophobicContact CD1-CD2 3.43Å; L99-F132 VanDerWaalsContact CD1-CD2 3.43Å; L99-F132 HydrophobicContact CD1-CE1 4.49Å; L99-F132 HydrophobicContact CD1-CE2 3.51Å; L99-F132 HydrophobicContact CD1-CG 3.93Å; L99-F132 HydrophobicContact CD1-CZ 4.04Å; L99-F132 HydrophobicContact CG-CE2 4.26Å; L128-F132 HydrophobicContact CD1-CD1 3.85Å; L128-F132 HydrophobicContact CD1-CE1 4.17Å; D129-F132 VanDerWaalsContact O-CB 3.26Å; D129-F132 WeakPolarHBondContact O-CB 3.31Å; D129-F132 PolarHBondContact O-N 3.43Å; D129-F132 VanDerWaalsContact O-N 3.13Å; F132-A134 HydrophobicContact CE1-CB 4.02Å; F132-A134 HydrophobicContact CZ-CB 3.91Å
133	Q	97.2	Very high	97.4	Very high	157 Å²	157	54.7 Å²	54.7	73%	0.734	29%	0.286	S	S	*	.			trans	-124.9	122.5	170.3	-66.3	-171.1	-1.9	0	0	107.5	N131	N131-Q133 PolarHBondContact O-N 3.33Å
134	A	98	Very high	97.4	Very high	34 Å²	34	56 Å²	56	28%	0.281	29%	0.294	S	S	.	.			trans	-64.7	138.5	-179.8	0	0	0	0	0	110.9	V97 F132 V144	V97-A134 HydrophobicContact CB-CB 4.45Å; F132-A134 HydrophobicContact CE1-CB 4.02Å; F132-A134 HydrophobicContact CZ-CB 3.91Å; A134-V144 HydrophobicContact CB-CB 4.1Å; A134-V144 HydrophobicContact CB-CG1 3.84Å; A134-V144 HydrophobicContact CB-CG2 4.14Å
135	Q	98.3	Very high	97.4	Very high	145 Å²	145	56.3 Å²	56.3	68%	0.678	30%	0.296	S	S	*	.			trans	-121.2	83.4	171.9	-63.6	-179	20	0	0	107.5	V97 N137	V97-Q135 CarbonylContact C-O 3.53Å; V97-Q135 VanDerWaalsContact C-O 3.28Å; V97-Q135 PolarHBondContact O-N 3.09Å; Q135-N137 PolarHBondContact O-N 3.14Å
136	P	98	Very high	97.3	Very high	60 Å²	60	59 Å²	59	39%	0.39	31%	0.307	S	S	.	.			trans	-63.5	130	-173.8	-18.5	31.2	0	0	0	111.2	E96 A138 V141 V144	E96-P136 WeakPolarHBondContact O-CA 3.34Å; P136-A138 PolarHBondContact O-N 2.87Å; P136-V141 HydrophobicContact CB-CB 4.13Å; P136-V141 HydrophobicContact CB-CG1 3.94Å; P136-V144 HydrophobicContact CB-CG2 4.2Å; P136-V144 HydrophobicContact CG-CB 4.43Å; P136-V144 HydrophobicContact CG-CG2 3.73Å
137	N	98.2	Very high	97.3	Very high	56 Å²	56	59 Å²	59	30%	0.299	31%	0.307	S	S	.	.			trans	-74.5	108	167.7	175.4	4.5	0	0	0	109.2	E95 E96 Q135 D139 E140 V141	E95-N137 VanDerWaalsContact O-CB 3.25Å; E95-N137 WeakPolarHBondContact O-CB 3.33Å; E96-N137 PolarHBondContact O-N 2.84Å; Q135-N137 PolarHBondContact O-N 3.14Å; N137-D139 PolarHBondContact O-N 2.99Å; N137-D139 PolarHBondContact OD1-N 3.01Å; N137-D139 VanDerWaalsContact OD1-N 3.14Å; N137-E140 PolarHBondContact O-N 2.84Å; N137-V141 PolarHBondContact O-N 3.08Å
138	A	96.7	Very high	97.3	Very high	67 Å²	67	59.4 Å²	59.4	55%	0.554	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.6	-175	0	0	0	0	0	115.1	S61 P136 E140	S61-A138 PolarHBondContact OG-O 2.95Å; P136-A138 PolarHBondContact O-N 2.87Å; A138-E140 VanDerWaalsContact C-N 3.34Å
139	D	96.4	Very high	97.3	Very high	94 Å²	94	59 Å²	59	50%	0.503	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-22.9	173.6	-70.4	-30.1	0	0	0	112.7	S61 K63 N137	S61-D139 WeakPolarHBondContact CB-O 3.34Å; S61-D139 PolarHBondContact OG-O 3.09Å; K63-D139 IonicContact NZ-OD1 2.79Å; K63-D139 PolarHBondContact NZ-OD1 3.03Å; N137-D139 PolarHBondContact O-N 2.99Å; N137-D139 PolarHBondContact OD1-N 3.01Å; N137-D139 VanDerWaalsContact OD1-N 3.14Å
140	E	96.7	Very high	97.4	Very high	62 Å²	62	58.9 Å²	58.9	29%	0.29	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	-35.4	-173.9	-63.1	-175.1	164.5	0	0	113.2	S61 L64 N137 A138	S61-E140 VanDerWaalsContact CB-C 3.46Å; S61-E140 WeakPolarHBondContact CB-O 3.35Å; S61-E140 PolarHBondContact N-O 2.8Å; L64-E140 VanDerWaalsContact CD1-O 3.26Å; L64-E140 WeakPolarHBondContact CD1-O 3.29Å; N137-E140 PolarHBondContact O-N 2.84Å; A138-E140 VanDerWaalsContact C-N 3.34Å
141	V	98.1	Very high	97.6	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.3	-177.2	-179.2	0	0	0	0	110.1	T58 E96 V97 P136 N137 E143 V144	T58-V141 HydrophobicContact CG2-CG1 4.08Å; T58-V141 HydrophobicContact CG2-CG2 4.06Å; E96-V141 HydrophobicContact CB-CG2 3.73Å; E96-V141 HydrophobicContact CG-CG2 4.1Å; V97-V141 HydrophobicContact CG1-CG2 4.45Å; P136-V141 HydrophobicContact CB-CB 4.13Å; P136-V141 HydrophobicContact CB-CG1 3.94Å; N137-V141 PolarHBondContact O-N 3.08Å; V141-E143 VanDerWaalsContact CG1-O 3.24Å; V141-E143 WeakPolarHBondContact CG1-O 3.36Å; V141-V144 HydrophobicContact CG1-CG2 3.84Å
142	K	97.1	Very high	97.8	Very high	117 Å²	117	50.7 Å²	50.7	51%	0.509	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-42	173.1	179.7	173.9	-177.9	164.4	0	111.7	V59 D62	V59-K142 HydrophobicContact CB-CB 4.27Å; V59-K142 HydrophobicContact CG1-CB 4.17Å; V59-K142 HydrophobicContact CG1-CD 4.12Å; V59-K142 WeakPolarHBondContact O-CB 3.46Å; V59-K142 PolarHBondContact O-N 3.02Å; D62-K142 IonicContact OD1-NZ 2.78Å; D62-K142 IonicContact OD2-NZ 2.74Å; D62-K142 PolarHBondContact OD2-NZ 3.1Å
143	E	97.2	Very high	97.8	Very high	63 Å²	63	50 Å²	50	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	151.3	-172.2	-172.3	159.9	-156.8	0	0	111.2	T58 V59 V141 Y186	T58-E143 CarbonylContact C-O 3.28Å; T58-E143 WeakPolarHBondContact CA-O 3.31Å; V59-E143 HydrophobicContact CB-CB 4.08Å; V59-E143 HydrophobicContact CG2-CB 4.01Å; V59-E143 PolarHBondContact N-O 3.35Å; V141-E143 VanDerWaalsContact CG1-O 3.24Å; V141-E143 WeakPolarHBondContact CG1-O 3.36Å; E143-Y186 HydrophobicContact CG-CE1 4.5Å; E143-Y186 PolarHBondContact OE1-OH 3.3Å; E143-Y186 PolarHBondContact OE2-OH 2.95Å
144	V	98.3	Very high	97.8	Very high	28 Å²	28	47.1 Å²	47.1	17%	0.17	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	132.3	173	177.1	0	0	0	0	108	M56 F57 T58 V97 A134 P136 V141 F146	M56-V144 HydrophobicContact CG-CG1 3.66Å; M56-V144 HydrophobicContact SD-CG1 3.85Å; F57-V144 WeakPolarHBondContact O-CA 3.42Å; T58-V144 HydrophobicContact CG2-CG2 4.28Å; V97-V144 HydrophobicContact CB-CG2 4.48Å; V97-V144 HydrophobicContact CG1-CG2 3.62Å; A134-V144 HydrophobicContact CB-CB 4.1Å; A134-V144 HydrophobicContact CB-CG1 3.84Å; A134-V144 HydrophobicContact CB-CG2 4.14Å; P136-V144 HydrophobicContact CB-CG2 4.2Å; P136-V144 HydrophobicContact CG-CB 4.43Å; P136-V144 HydrophobicContact CG-CG2 3.73Å; V141-V144 HydrophobicContact CG1-CG2 3.84Å; V144-F146 HydrophobicContact CG1-CE2 4.46Å
145	F	98.4	Very high	97.8	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.026	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	164.1	-179.7	69.3	-79.6	0	0	0	111.4	F57 V59 V71 V147 Y177 Y186 I188	F57-F145 HydrophobicContact CB-CD1 4.11Å; F57-F145 HydrophobicContact CB-CE1 3.58Å; F57-F145 HydrophobicContact CB-CE2 4.11Å; F57-F145 HydrophobicContact CB-CZ 3.6Å; F57-F145 HydrophobicContact CD2-CE2 4.12Å; F57-F145 HydrophobicContact CD2-CZ 4.34Å; F57-F145 HydrophobicContact CG-CE2 4.36Å; F57-F145 HydrophobicContact CG-CZ 4.11Å; F57-F145 PolarHBondContact N-O 2.97Å; F57-F145 PolarHBondContact O-N 2.94Å; F57-F145 VanDerWaalsContact O-N 3.09Å; V59-F145 HydrophobicContact CG2-CD1 4.12Å; V59-F145 HydrophobicContact CG2-CE1 3.82Å; V71-F145 HydrophobicContact CB-CZ 4.46Å; V71-F145 HydrophobicContact CG1-CE1 3.92Å; V71-F145 HydrophobicContact CG1-CZ 3.62Å; V71-F145 HydrophobicContact CG2-CE1 4.05Å; V71-F145 HydrophobicContact CG2-CZ 3.93Å; F145-V147 HydrophobicContact CD2-CG2 3.8Å; F145-V147 HydrophobicContact CE2-CG2 3.52Å; F145-Y177 HydrophobicContact CD2-CD1 4.45Å; F145-Y186 HydrophobicContact CB-CE1 4.41Å; F145-Y186 HydrophobicContact CB-CE2 4.05Å; F145-Y186 AromaticContact CD1-CD1 3.75Å; F145-Y186 HydrophobicContact CD1-CD1 3.75Å; F145-Y186 AromaticContact CD1-CE1 3.58Å; F145-Y186 HydrophobicContact CD1-CE1 3.58Å; F145-Y186 HydrophobicContact CD1-CE2 4.37Å; F145-Y186 HydrophobicContact CD1-CG 4.2Å; F145-Y186 AromaticContact CD1-CZ 3.89Å; F145-Y186 HydrophobicContact CD2-CD1 4.32Å; F145-Y186 AromaticContact CD2-CD2 3.71Å; F145-Y186 HydrophobicContact CD2-CD2 3.71Å; F145-Y186 HydrophobicContact CD2-CE1 4.45Å; F145-Y186 AromaticContact CD2-CE2 3.86Å; F145-Y186 HydrophobicContact CD2-CE2 3.86Å; F145-Y186 AromaticContact CD2-CG 3.93Å; F145-Y186 HydrophobicContact CD2-CG 3.93Å; F145-Y186 AromaticContact CE1-CD1 3.51Å; F145-Y186 HydrophobicContact CE1-CD1 3.51Å; F145-Y186 AromaticContact CE1-CE1 3.85Å; F145-Y186 HydrophobicContact CE1-CE1 3.85Å; F145-Y186 AromaticContact CE1-CG 3.91Å; F145-Y186 HydrophobicContact CE1-CG 3.91Å; F145-Y186 HydrophobicContact CE2-CD1 4.1Å; F145-Y186 AromaticContact CE2-CD2 3.79Å; F145-Y186 HydrophobicContact CE2-CD2 3.79Å; F145-Y186 HydrophobicContact CE2-CE2 4.38Å; F145-Y186 AromaticContact CE2-CG 3.6Å; F145-Y186 HydrophobicContact CE2-CG 3.6Å; F145-Y186 HydrophobicContact CG-CD1 4.14Å; F145-Y186 HydrophobicContact CG-CD2 4.09Å; F145-Y186 AromaticContact CG-CE1 3.91Å; F145-Y186 HydrophobicContact CG-CE1 3.91Å; F145-Y186 AromaticContact CG-CE2 3.84Å; F145-Y186 HydrophobicContact CG-CE2 3.84Å; F145-Y186 HydrophobicContact CG-CG 4.21Å; F145-Y186 AromaticContact CG-CZ 3.72Å; F145-Y186 AromaticContact CZ-CD1 3.69Å; F145-Y186 HydrophobicContact CZ-CD1 3.69Å; F145-Y186 HydrophobicContact CZ-CD2 4.23Å; F145-Y186 HydrophobicContact CZ-CE1 4.37Å; F145-Y186 AromaticContact CZ-CG 3.58Å; F145-Y186 HydrophobicContact CZ-CG 3.58Å; F145-I188 HydrophobicContact CE2-CD1 4.33Å; F145-I188 HydrophobicContact CZ-CG1 4.47Å
146	F	98.1	Very high	97.7	Very high	56 Å²	56	48.1 Å²	48.1	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.5	-177.1	-67.2	-94.6	0	0	0	110.5	L47 Y54 L55 M56 L128 V144	L47-F146 HydrophobicContact CB-CD1 4.26Å; L47-F146 HydrophobicContact CB-CE1 4Å; L47-F146 HydrophobicContact CD2-CD1 4.03Å; L47-F146 HydrophobicContact CD2-CE1 3.66Å; L47-F146 HydrophobicContact CD2-CZ 4.13Å; L47-F146 HydrophobicContact CG-CE1 4.46Å; Y54-F146 HydrophobicContact CD1-CB 4.14Å; L55-F146 WeakPolarHBondContact O-CA 3.4Å; M56-F146 HydrophobicContact CB-CD1 3.82Å; M56-F146 HydrophobicContact CB-CE1 3.5Å; M56-F146 VanDerWaalsContact CB-CE1 3.5Å; M56-F146 HydrophobicContact CB-CZ 4.11Å; M56-F146 HydrophobicContact CG-CD1 4.13Å; M56-F146 HydrophobicContact CG-CE1 3.6Å; M56-F146 HydrophobicContact CG-CE2 4.25Å; M56-F146 HydrophobicContact CG-CZ 3.66Å; M56-F146 HydrophobicContact SD-CE1 4.1Å; M56-F146 HydrophobicContact SD-CZ 3.83Å; L128-F146 HydrophobicContact CD1-CE1 4.19Å; V144-F146 HydrophobicContact CG1-CE2 4.46Å
147	V	98.6	Very high	97.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	130.8	177.3	-172.7	0	0	0	0	109	Y54 L55 F57 F145 L149 Y151 F152 Y177 I188	Y54-V147 CarbonylContact C-O 3.57Å; Y54-V147 VanDerWaalsContact CA-O 3.23Å; Y54-V147 WeakPolarHBondContact CA-O 3.49Å; L55-V147 PolarHBondContact N-O 3.37Å; L55-V147 PolarHBondContact O-N 3.21Å; F57-V147 HydrophobicContact CD2-CB 4.36Å; F57-V147 HydrophobicContact CD2-CG2 3.77Å; F57-V147 HydrophobicContact CE2-CB 3.9Å; F57-V147 HydrophobicContact CE2-CG2 3.73Å; F145-V147 HydrophobicContact CD2-CG2 3.8Å; F145-V147 HydrophobicContact CE2-CG2 3.52Å; V147-L149 PolarHBondContact O-N 2.58Å; V147-Y151 HydrophobicContact CG1-CD1 3.82Å; V147-Y151 HydrophobicContact CG1-CG 3.94Å; V147-F152 HydrophobicContact CB-CE2 3.89Å; V147-F152 HydrophobicContact CB-CZ 3.91Å; V147-F152 HydrophobicContact CG1-CE2 3.7Å; V147-F152 HydrophobicContact CG1-CZ 3.72Å; V147-F152 HydrophobicContact CG2-CZ 4.37Å; V147-Y177 HydrophobicContact CG1-CD1 4.33Å; V147-Y177 HydrophobicContact CG1-CD2 3.83Å; V147-Y177 HydrophobicContact CG1-CE2 4.06Å; V147-Y177 HydrophobicContact CG1-CG 3.97Å; V147-Y177 HydrophobicContact CG2-CD1 3.7Å; V147-Y177 HydrophobicContact CG2-CE1 4.02Å; V147-Y177 HydrophobicContact CG2-CG 4.04Å; V147-I188 HydrophobicContact CG2-CD1 3.87Å
148	P	98.3	Very high	97.6	Very high	20 Å²	20	48.1 Å²	48.1	13%	0.13	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	132.6	172.2	-22.9	31.1	0	0	0	111.1	Y54 D150 Y151	Y54-P148 HydrophobicContact CD1-CB 4.37Å; Y54-P148 HydrophobicContact CD1-CG 4.09Å; Y54-P148 HydrophobicContact CE1-CB 4.16Å; Y54-P148 HydrophobicContact CE1-CG 3.63Å; P148-D150 WeakPolarHBondContact CB-OD1 3.3Å; P148-D150 PolarHBondContact O-N 3.41Å; P148-Y151 WeakPolarHBondContact O-CB 3.13Å; P148-Y151 PolarHBondContact O-N 2.96Å
149	L	98.7	Very high	97.6	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-61.1	-34.6	-176.5	-176.2	65.7	0	0	0	112.1	L46 L53 L55 V147 Y151 F152 V199 A200 I203 L204	L46-L149 HydrophobicContact CD2-CD1 4.43Å; L46-L149 HydrophobicContact CD2-CD2 4.34Å; L53-L149 HydrophobicContact CB-CB 4.05Å; L53-L149 HydrophobicContact CB-CD2 3.99Å; L53-L149 HydrophobicContact CD1-CD2 4.07Å; L53-L149 WeakPolarHBondContact O-CB 3.07Å; L53-L149 PolarHBondContact O-N 2.95Å; L55-L149 HydrophobicContact CD1-CD1 3.66Å; L55-L149 HydrophobicContact CG-CD1 3.88Å; V147-L149 PolarHBondContact O-N 2.58Å; L149-Y151 PolarHBondContact O-N 3.4Å; L149-F152 PolarHBondContact O-N 3.19Å; L149-V199 HydrophobicContact CD1-CG1 4.14Å; L149-A200 HydrophobicContact CD1-CB 3.77Å; L149-A200 HydrophobicContact CG-CB 4.03Å; L149-I203 HydrophobicContact CD2-CB 3.92Å; L149-I203 HydrophobicContact CD2-CD1 3.94Å; L149-I203 HydrophobicContact CD2-CG2 3.8Å; L149-L204 HydrophobicContact CD2-CD1 4.41Å; L149-L204 HydrophobicContact CD2-CD2 4.17Å; L149-L204 HydrophobicContact CD2-CG 4.11Å; L149-L204 HydrophobicContact CG-CD1 4.11Å; L149-L204 HydrophobicContact CG-CG 4.34Å
150	D	97.8	Very high	97.5	Very high	55 Å²	55	48 Å²	48	29%	0.294	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-63.2	-23.2	176	55.4	-18.4	0	0	0	113	K52 P148 F152 L153 H154 L204	K52-D150 IonicContact NZ-OD2 2.64Å; K52-D150 PolarHBondContact NZ-OD2 2.64Å; P148-D150 WeakPolarHBondContact CB-OD1 3.3Å; P148-D150 PolarHBondContact O-N 3.41Å; D150-F152 PolarHBondContact O-N 3.04Å; D150-L153 PolarHBondContact O-N 3.26Å; D150-L153 VanDerWaalsContact O-N 3.12Å; D150-H154 PolarHBondContact O-N 3.38Å; D150-L204 HydrophobicContact CB-CD1 4.15Å
151	Y	98.3	Very high	97.3	Very high	24 Å²	24	49.4 Å²	49.4	9%	0.094	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.6	-34.4	175.9	-169.1	-101.6	0	0	0	112.7	V147 P148 L149 L153 H154 P155 Q156 V157 F175 E176 Y177	V147-Y151 HydrophobicContact CG1-CD1 3.82Å; V147-Y151 HydrophobicContact CG1-CG 3.94Å; P148-Y151 WeakPolarHBondContact O-CB 3.13Å; P148-Y151 PolarHBondContact O-N 2.96Å; L149-Y151 PolarHBondContact O-N 3.4Å; Y151-L153 PolarHBondContact O-N 3.39Å; Y151-H154 CarbonylContact O-C 3.56Å; Y151-P155 HydrophobicContact CD1-CB 4.49Å; Y151-P155 HydrophobicContact CE1-CB 4.04Å; Y151-P155 HydrophobicContact CE2-CB 4.34Å; Y151-P155 VanDerWaalsContact O-CA 3.23Å; Y151-P155 WeakPolarHBondContact O-CA 3.43Å; Y151-P155 WeakPolarHBondContact O-CB 3.32Å; Y151-P155 WeakPolarHBondContact O-CD 3.48Å; Y151-P155 VanDerWaalsContact O-N 3.07Å; Y151-Q156 HydrophobicContact CE2-CB 4.11Å; Y151-Q156 PolarHBondContact OH-N 2.92Å; Y151-V157 PolarHBondContact OH-N 3.35Å; Y151-V157 PolarHBondContact OH-O 2.96Å; Y151-F175 HydrophobicContact CE1-CB 4.21Å; Y151-F175 HydrophobicContact CE1-CD1 4.31Å; Y151-E176 PolarHBondContact OH-O 3.33Å; Y151-Y177 HydrophobicContact CD1-CD2 4.08Å; Y151-Y177 HydrophobicContact CD2-CD2 4.01Å; Y151-Y177 HydrophobicContact CD2-CE2 4.38Å; Y151-Y177 HydrophobicContact CE1-CD2 4.03Å; Y151-Y177 HydrophobicContact CE1-CG 4.49Å; Y151-Y177 AromaticContact CE2-CD2 3.97Å; Y151-Y177 HydrophobicContact CE2-CD2 3.97Å; Y151-Y177 HydrophobicContact CG-CD2 4.08Å
152	F	98.3	Very high	97	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-76.4	-7.1	-178.1	-62.2	-75.1	0	0	0	113.5	L55 F57 V147 L149 D150 F175 I188 A196 V197 A200 F210	L55-F152 HydrophobicContact CB-CE2 4.39Å; L55-F152 HydrophobicContact CD1-CD2 4.01Å; L55-F152 HydrophobicContact CD1-CE2 3.76Å; F57-F152 HydrophobicContact CE2-CE2 4.06Å; F57-F152 AromaticContact CE2-CZ 3.63Å; F57-F152 HydrophobicContact CE2-CZ 3.63Å; F57-F152 HydrophobicContact CZ-CE1 4.24Å; F57-F152 AromaticContact CZ-CE2 3.98Å; F57-F152 HydrophobicContact CZ-CE2 3.98Å; F57-F152 AromaticContact CZ-CZ 3.4Å; F57-F152 HydrophobicContact CZ-CZ 3.4Å; F57-F152 VanDerWaalsContact CZ-CZ 3.4Å; V147-F152 HydrophobicContact CB-CE2 3.89Å; V147-F152 HydrophobicContact CB-CZ 3.91Å; V147-F152 HydrophobicContact CG1-CE2 3.7Å; V147-F152 HydrophobicContact CG1-CZ 3.72Å; V147-F152 HydrophobicContact CG2-CZ 4.37Å; L149-F152 PolarHBondContact O-N 3.19Å; D150-F152 PolarHBondContact O-N 3.04Å; F152-F175 HydrophobicContact CD1-CD1 4.44Å; F152-F175 HydrophobicContact CD1-CD2 4.17Å; F152-F175 HydrophobicContact CD1-CE1 4.46Å; F152-F175 HydrophobicContact CD1-CE2 4.19Å; F152-F175 HydrophobicContact CD1-CG 4.3Å; F152-F175 HydrophobicContact CD1-CZ 4.34Å; F152-F175 HydrophobicContact CE1-CD2 4.47Å; F152-I188 HydrophobicContact CE1-CD1 3.87Å; F152-I188 HydrophobicContact CE1-CG2 4.27Å; F152-I188 HydrophobicContact CZ-CD1 3.87Å; F152-A196 HydrophobicContact CD1-CB 3.61Å; F152-A196 HydrophobicContact CD2-CB 4.06Å; F152-A196 HydrophobicContact CE1-CB 3.61Å; F152-A196 HydrophobicContact CE2-CB 4.07Å; F152-A196 HydrophobicContact CG-CB 3.83Å; F152-A196 HydrophobicContact CZ-CB 3.86Å; F152-V197 HydrophobicContact CB-CG2 4.35Å; F152-A200 HydrophobicContact CB-CB 4.06Å; F152-F210 WeakPolarHBondContact O-CE1 3.5Å; F152-F210 WeakPolarHBondContact O-CZ 3.33Å
153	L	97.6	Very high	96.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-33.4	171.6	-56.8	-174.9	0	0	0	111.8	D150 Y151 P155 A200 L201 L204 Q206 P208 A209	D150-L153 PolarHBondContact O-N 3.26Å; D150-L153 VanDerWaalsContact O-N 3.12Å; Y151-L153 PolarHBondContact O-N 3.39Å; L153-P155 VanDerWaalsContact C-CD 3.46Å; L153-P155 WeakPolarHBondContact O-CD 3.4Å; L153-A200 HydrophobicContact CD1-CB 4.3Å; L153-A200 HydrophobicContact CD2-CB 3.87Å; L153-A200 HydrophobicContact CG-CB 3.84Å; L153-L201 HydrophobicContact CD2-CD2 3.69Å; L153-L201 HydrophobicContact CD2-CG 4.03Å; L153-L204 HydrophobicContact CD1-CB 3.86Å; L153-L204 HydrophobicContact CD1-CD1 3.73Å; L153-L204 HydrophobicContact CD1-CG 4.36Å; L153-L204 HydrophobicContact CG-CD1 4.36Å; L153-Q206 HydrophobicContact CD1-CB 3.72Å; L153-P208 HydrophobicContact CD2-CB 4.12Å; L153-P208 WeakPolarHBondContact O-CA 3.06Å; L153-A209 PolarHBondContact O-N 2.74Å
154	H	97.7	Very high	96	Very high	97 Å²	97	55.5 Å²	55.5	45%	0.449	27%	0.271	S	S	.	.	S	Bend	trans	-128.7	66.5	-178.9	-56.7	-63.9	0	0	0	111.3	D150 Y151	D150-H154 PolarHBondContact O-N 3.38Å; Y151-H154 CarbonylContact O-C 3.56Å
155	P	97.5	Very high	95	Very high	26 Å²	26	58.6 Å²	58.6	17%	0.169	28%	0.284	C	S	.	.			trans	-72.2	148	-176.2	30.8	-37.6	0	0	0	111.7	Y151 L153 Y158 F175 F210	Y151-P155 HydrophobicContact CD1-CB 4.49Å; Y151-P155 HydrophobicContact CE1-CB 4.04Å; Y151-P155 HydrophobicContact CE2-CB 4.34Å; Y151-P155 VanDerWaalsContact O-CA 3.23Å; Y151-P155 WeakPolarHBondContact O-CA 3.43Å; Y151-P155 WeakPolarHBondContact O-CB 3.32Å; Y151-P155 WeakPolarHBondContact O-CD 3.48Å; Y151-P155 VanDerWaalsContact O-N 3.07Å; L153-P155 VanDerWaalsContact C-CD 3.46Å; L153-P155 WeakPolarHBondContact O-CD 3.4Å; P155-Y158 HydrophobicContact CG-CD2 4.42Å; P155-Y158 HydrophobicContact CG-CG 3.94Å; P155-F175 HydrophobicContact CB-CD1 3.69Å; P155-F175 HydrophobicContact CB-CE1 3.94Å; P155-F175 HydrophobicContact CG-CD1 4.07Å; P155-F175 HydrophobicContact CG-CE1 3.84Å; P155-F210 HydrophobicContact CG-CD1 4.08Å; P155-F210 HydrophobicContact CG-CE1 4Å
156	Q	95.9	Very high	94	Very high	175 Å²	175	62.4 Å²	62.4	82%	0.818	31%	0.311	S	S	*	.	S	Bend	trans	-77.2	-39.9	171.5	-173	177.7	-2.4	0	0	111.1	Y151	Y151-Q156 HydrophobicContact CE2-CB 4.11Å; Y151-Q156 PolarHBondContact OH-N 2.92Å
157	V	96.9	Very high	93.1	Very high	63 Å²	63	63.2 Å²	63.2	38%	0.382	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	115.9	176.4	-174.1	0	0	0	0	109.1	Y151 E176	Y151-V157 PolarHBondContact OH-N 3.35Å; Y151-V157 PolarHBondContact OH-O 2.96Å; V157-E176 HydrophobicContact CB-CB 3.91Å; V157-E176 HydrophobicContact CG1-CB 3.73Å; V157-E176 HydrophobicContact CG1-CG 4.19Å; V157-E176 PolarHBondContact O-N 3.06Å; V157-E176 VanDerWaalsContact O-N 3.08Å
158	Y	97.6	Very high	92.2	Very high	52 Å²	52	69.2 Å²	69.2	20%	0.204	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	142.1	-178.3	163.2	-92.8	0	0	0	110.8	P155 Q160 H173 C174 F175 F210	P155-Y158 HydrophobicContact CG-CD2 4.42Å; P155-Y158 HydrophobicContact CG-CG 3.94Å; Y158-Q160 PolarHBondContact OH-OE1 3.07Å; Y158-H173 HydrophobicContact CE2-CB 3.92Å; Y158-H173 AromaticContact CE2-ND1 3.65Å; Y158-H173 AromaticContact CZ-ND1 3.72Å; Y158-H173 PolarHBondContact OH-ND1 3.09Å; Y158-C174 WeakPolarHBondContact CA-O 3.36Å; Y158-C174 WeakPolarHBondContact CD2-O 3.24Å; Y158-F175 AromaticContact CD2-CD1 3.83Å; Y158-F175 HydrophobicContact CD2-CD1 3.83Å; Y158-F175 AromaticContact CD2-CE1 3.58Å; Y158-F175 HydrophobicContact CD2-CE1 3.58Å; Y158-F175 HydrophobicContact CD2-CE2 4.38Å; Y158-F175 HydrophobicContact CD2-CG 4.34Å; Y158-F175 AromaticContact CD2-CZ 3.88Å; Y158-F175 HydrophobicContact CD2-CZ 3.88Å; Y158-F175 HydrophobicContact CE2-CE1 4.18Å; Y158-F175 HydrophobicContact CE2-CE2 4.45Å; Y158-F175 HydrophobicContact CE2-CZ 4.02Å; Y158-F175 HydrophobicContact CG-CE1 4.4Å; Y158-F210 HydrophobicContact CD1-CB 3.95Å; Y158-F210 HydrophobicContact CD1-CD1 4.22Å; Y158-F210 HydrophobicContact CD1-CG 4.13Å; Y158-F210 HydrophobicContact CD2-CD1 4.41Å; Y158-F210 HydrophobicContact CE1-CB 3.32Å; Y158-F210 HydrophobicContact CE1-CD1 4.16Å; Y158-F210 HydrophobicContact CE1-CD2 4.12Å; Y158-F210 AromaticContact CE1-CG 3.61Å; Y158-F210 HydrophobicContact CE1-CG 3.61Å; Y158-F210 HydrophobicContact CE2-CD1 4.31Å; Y158-F210 AromaticContact CE2-CD2 3.98Å; Y158-F210 HydrophobicContact CE2-CD2 3.98Å; Y158-F210 HydrophobicContact CE2-CE2 4.21Å; Y158-F210 HydrophobicContact CE2-CG 4.05Å; Y158-F210 HydrophobicContact CE2-CZ 4.5Å; Y158-F210 HydrophobicContact CG-CD1 4.35Å; Y158-F210 AromaticContact CZ-CD2 3.58Å; Y158-F210 AromaticContact CZ-CG 3.55Å; Y158-F210 WeakPolarHBondContact OH-CD2 3.27Å
159	Y	96.6	Very high	91.5	Very high	78 Å²	78	73.1 Å²	73.1	31%	0.306	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	164.8	167.6	56.5	-84.3	0	0	0	110.2	C174 E176	Y159-C174 HydrophobicContact CD1-CB 4.22Å; Y159-C174 HydrophobicContact CD2-CB 3.66Å; Y159-C174 HydrophobicContact CE1-CB 3.91Å; Y159-C174 HydrophobicContact CE2-CB 3.33Å; Y159-C174 HydrophobicContact CG-CB 4.1Å; Y159-C174 VanDerWaalsContact CZ-CB 3.47Å; Y159-C174 PolarHBondContact N-O 2.91Å; Y159-C174 WeakPolarHBondContact O-CB 3.49Å; Y159-C174 PolarHBondContact O-N 2.87Å; Y159-E176 HydrophobicContact CE1-CG 4.21Å; Y159-E176 WeakPolarHBondContact CE1-OE1 3.47Å
160	Q	94.3	Very high	90.8	Very high	82 Å²	82	74 Å²	74	38%	0.383	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.9	179.6	56.3	-178.2	49.2	0	0	111	Y158 I171 M172	Y158-Q160 PolarHBondContact OH-OE1 3.07Å; Q160-I171 HydrophobicContact CB-CG2 3.83Å; Q160-M172 WeakPolarHBondContact CA-O 3.23Å
161	K	93.3	Very high	90.4	Very high	91 Å²	91	72.4 Å²	72.4	40%	0.396	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.2	166.4	-55.2	-172.7	-163.9	165.1	0	108.4	M172	K161-M172 HydrophobicContact CB-CB 4.45Å; K161-M172 HydrophobicContact CB-CE 4.08Å; K161-M172 HydrophobicContact CD-CE 3.59Å; K161-M172 HydrophobicContact CG-CE 4.12Å; K161-M172 PolarHBondContact N-O 3.3Å; K161-M172 PolarHBondContact O-N 3.11Å
162	Q	90.1	Very high	90.1	Very high	143 Å²	143	72.8 Å²	72.8	67%	0.668	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	130.1	167.5	-72.4	-167.6	-15.6	0	0	108.8
163	I	87.7	Confident	89.9	Confident	70 Å²	70	72.8 Å²	72.8	36%	0.359	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.3	176.8	-56.3	-173.7	0	0	0	107.7	F170 M172	I163-F170 PolarHBondContact N-O 3.41Å; I163-F170 PolarHBondContact O-N 2.97Å; I163-M172 HydrophobicContact CD1-CB 3.54Å; I163-M172 HydrophobicContact CD1-CE 3.98Å; I163-M172 HydrophobicContact CD1-CG 4.13Å; I163-M172 HydrophobicContact CD1-SD 3.62Å; I163-M172 HydrophobicContact CG1-CB 4.04Å
164	T	85.8	Confident	89.9	Confident	97 Å²	97	72.8 Å²	72.8	60%	0.595	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85	118.2	171.4	-49.7	0	0	0	0	108.9	R168 D169	T164-R168 CarbonylContact C-O 3.56Å; T164-R168 WeakPolarHBondContact CA-O 3.17Å; T164-D169 WeakPolarHBondContact CB-OD1 3.42Å; T164-D169 PolarHBondContact OG1-OD1 3.25Å
165	Q	77.8	Confident	90	Very high	93 Å²	93	68.1 Å²	68.1	44%	0.435	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.9	176.1	-170.6	179.6	20.6	0	0	108.9	G167 R168 F170	Q165-G167 PolarHBondContact O-N 2.85Å; Q165-R168 PolarHBondContact N-O 3.49Å; Q165-R168 PolarHBondContact O-N 2.98Å; Q165-F170 HydrophobicContact CB-CD2 3.9Å; Q165-F170 HydrophobicContact CB-CE2 3.92Å
166	S	76.3	Confident	90	Very high	86 Å²	86	70.3 Å²	70.3	60%	0.601	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	41.4	-179.4	-52.1	0	0	0	0	113.7	R168	S166-R168 VanDerWaalsContact C-N 3.29Å; S166-R168 PolarHBondContact O-N 3.14Å
167	G	79.7	Confident	90.1	Very high	74 Å²	74	62.9 Å²	62.9	76%	0.763	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	6.1	178.2	0	0	0	0	0	115.8	Q165	Q165-G167 PolarHBondContact O-N 2.85Å
168	R	79.6	Confident	90.2	Very high	126 Å²	126	66.1 Å²	66.1	48%	0.475	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.5	169.2	-72.4	-165	-176.7	170.6	-0.8	111.3	T164 Q165 S166 F170 W229	T164-R168 CarbonylContact C-O 3.56Å; T164-R168 WeakPolarHBondContact CA-O 3.17Å; Q165-R168 PolarHBondContact N-O 3.49Å; Q165-R168 PolarHBondContact O-N 2.98Å; S166-R168 VanDerWaalsContact C-N 3.29Å; S166-R168 PolarHBondContact O-N 3.14Å; R168-F170 HydrophobicContact CB-CE2 3.73Å; R168-F170 HydrophobicContact CB-CZ 3.82Å; R168-F170 WeakPolarHBondContact O-CD2 3.41Å; R168-F170 WeakPolarHBondContact O-CE2 3.49Å; R168-W229 HydrophobicContact CB-CH2 3.85Å; R168-W229 HydrophobicContact CB-CZ2 4.3Å; R168-W229 VanDerWaalsContact CD-CH2 3.49Å; R168-W229 HydrophobicContact CG-CH2 3.71Å; R168-W229 HydrophobicContact CG-CZ2 3.63Å
169	D	84	Confident	90.1	Very high	102 Å²	102	64.6 Å²	64.6	55%	0.545	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	132	172.9	-63.2	-27.6	0	0	0	110.1	T164	T164-D169 WeakPolarHBondContact CB-OD1 3.42Å; T164-D169 PolarHBondContact OG1-OD1 3.25Å
170	F	84	Confident	90.1	Very high	21 Å²	21	66 Å²	66	9%	0.092	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	147.1	174.8	-64.4	-79	0	0	0	109.9	I163 Q165 R168 W229 R230	I163-F170 PolarHBondContact N-O 3.41Å; I163-F170 PolarHBondContact O-N 2.97Å; Q165-F170 HydrophobicContact CB-CD2 3.9Å; Q165-F170 HydrophobicContact CB-CE2 3.92Å; R168-F170 HydrophobicContact CB-CE2 3.73Å; R168-F170 HydrophobicContact CB-CZ 3.82Å; R168-F170 WeakPolarHBondContact O-CD2 3.41Å; R168-F170 WeakPolarHBondContact O-CE2 3.49Å; F170-W229 HydrophobicContact CE1-CZ3 4.41Å; F170-W229 HydrophobicContact CE2-CH2 4.27Å; F170-W229 HydrophobicContact CE2-CZ3 4.12Å; F170-W229 HydrophobicContact CZ-CE3 4.33Å; F170-W229 AromaticContact CZ-CH2 3.88Å; F170-W229 HydrophobicContact CZ-CH2 3.88Å; F170-W229 AromaticContact CZ-CZ3 3.42Å; F170-W229 HydrophobicContact CZ-CZ3 3.42Å; F170-W229 VanDerWaalsContact CZ-CZ3 3.42Å; F170-R230 VanDerWaalsContact CD2-NH2 3.29Å
171	I	89	Confident	90	Very high	21 Å²	21	68.8 Å²	68.8	11%	0.108	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	124.4	168.6	-62.5	175.3	0	0	0	108.1	Q160 H173 K194 K211 D213	Q160-I171 HydrophobicContact CB-CG2 3.83Å; I171-H173 VanDerWaalsContact CG2-CE1 3.41Å; I171-H173 WeakPolarHBondContact CG2-CE1 3.07Å; I171-K194 WeakPolarHBondContact O-CE 3.45Å; I171-K194 PolarHBondContact O-NZ 3.05Å; I171-K194 VanDerWaalsContact O-NZ 3.12Å; I171-K211 HydrophobicContact CD1-CB 4.4Å; I171-D213 VanDerWaalsContact CB-OD1 3.28Å; I171-D213 WeakPolarHBondContact CB-OD1 3.39Å; I171-D213 VanDerWaalsContact CD1-OD1 3.26Å; I171-D213 WeakPolarHBondContact CD1-OD1 3.32Å; I171-D213 WeakPolarHBondContact CG1-OD1 3.46Å; I171-D213 PolarHBondContact N-OD1 3.44Å; I171-D213 PolarHBondContact N-OD2 3.46Å
172	M	92.4	Very high	90.1	Very high	31 Å²	31	68.3 Å²	68.3	15%	0.153	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.6	161.1	-175.3	173.7	71	0	0	108.8	Q160 K161 I163	Q160-M172 WeakPolarHBondContact CA-O 3.23Å; K161-M172 HydrophobicContact CB-CB 4.45Å; K161-M172 HydrophobicContact CB-CE 4.08Å; K161-M172 HydrophobicContact CD-CE 3.59Å; K161-M172 HydrophobicContact CG-CE 4.12Å; K161-M172 PolarHBondContact N-O 3.3Å; K161-M172 PolarHBondContact O-N 3.11Å; I163-M172 HydrophobicContact CD1-CB 3.54Å; I163-M172 HydrophobicContact CD1-CE 3.98Å; I163-M172 HydrophobicContact CD1-CG 4.13Å; I163-M172 HydrophobicContact CD1-SD 3.62Å; I163-M172 HydrophobicContact CG1-CB 4.04Å
173	H	95.2	Very high	90.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	129.7	175.6	-58.5	-64.8	0	0	0	109.8	Y158 I171 F175 Q189 S193 F210 K211	Y158-H173 HydrophobicContact CE2-CB 3.92Å; Y158-H173 AromaticContact CE2-ND1 3.65Å; Y158-H173 AromaticContact CZ-ND1 3.72Å; Y158-H173 PolarHBondContact OH-ND1 3.09Å; I171-H173 VanDerWaalsContact CG2-CE1 3.41Å; I171-H173 WeakPolarHBondContact CG2-CE1 3.07Å; H173-F175 HydrophobicContact CB-CD2 4.31Å; H173-F175 HydrophobicContact CB-CE2 3.61Å; H173-F175 HydrophobicContact CB-CZ 4.24Å; H173-Q189 WeakPolarHBondContact O-CA 3.37Å; H173-S193 WeakPolarHBondContact O-CB 3.46Å; H173-S193 PolarHBondContact O-OG 2.83Å; H173-F210 AromaticContact CE1-CE2 3.97Å; H173-F210 AromaticContact ND1-CE2 3.89Å; H173-K211 PolarHBondContact CE1-O 2.79Å
174	C	97.5	Very high	90.8	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117	175	-63.4	0	0	0	0	108.7	Y158 Y159 L187	Y158-C174 WeakPolarHBondContact CA-O 3.36Å; Y158-C174 WeakPolarHBondContact CD2-O 3.24Å; Y159-C174 HydrophobicContact CD1-CB 4.22Å; Y159-C174 HydrophobicContact CD2-CB 3.66Å; Y159-C174 HydrophobicContact CE1-CB 3.91Å; Y159-C174 HydrophobicContact CE2-CB 3.33Å; Y159-C174 HydrophobicContact CG-CB 4.1Å; Y159-C174 VanDerWaalsContact CZ-CB 3.47Å; Y159-C174 PolarHBondContact N-O 2.91Å; Y159-C174 WeakPolarHBondContact O-CB 3.49Å; Y159-C174 PolarHBondContact O-N 2.87Å; C174-L187 HydrophobicContact CB-CD1 4.16Å
175	F	98.4	Very high	91.4	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.7	178.1	-63.5	-88.5	0	0	0	109.2	Y151 F152 P155 Y158 H173 L187 I188 V197 F210	Y151-F175 HydrophobicContact CE1-CB 4.21Å; Y151-F175 HydrophobicContact CE1-CD1 4.31Å; F152-F175 HydrophobicContact CD1-CD1 4.44Å; F152-F175 HydrophobicContact CD1-CD2 4.17Å; F152-F175 HydrophobicContact CD1-CE1 4.46Å; F152-F175 HydrophobicContact CD1-CE2 4.19Å; F152-F175 HydrophobicContact CD1-CG 4.3Å; F152-F175 HydrophobicContact CD1-CZ 4.34Å; F152-F175 HydrophobicContact CE1-CD2 4.47Å; P155-F175 HydrophobicContact CB-CD1 3.69Å; P155-F175 HydrophobicContact CB-CE1 3.94Å; P155-F175 HydrophobicContact CG-CD1 4.07Å; P155-F175 HydrophobicContact CG-CE1 3.84Å; Y158-F175 AromaticContact CD2-CD1 3.83Å; Y158-F175 HydrophobicContact CD2-CD1 3.83Å; Y158-F175 AromaticContact CD2-CE1 3.58Å; Y158-F175 HydrophobicContact CD2-CE1 3.58Å; Y158-F175 HydrophobicContact CD2-CE2 4.38Å; Y158-F175 HydrophobicContact CD2-CG 4.34Å; Y158-F175 AromaticContact CD2-CZ 3.88Å; Y158-F175 HydrophobicContact CD2-CZ 3.88Å; Y158-F175 HydrophobicContact CE2-CE1 4.18Å; Y158-F175 HydrophobicContact CE2-CE2 4.45Å; Y158-F175 HydrophobicContact CE2-CZ 4.02Å; Y158-F175 HydrophobicContact CG-CE1 4.4Å; H173-F175 HydrophobicContact CB-CD2 4.31Å; H173-F175 HydrophobicContact CB-CE2 3.61Å; H173-F175 HydrophobicContact CB-CZ 4.24Å; F175-L187 WeakPolarHBondContact O-CA 3.15Å; F175-I188 HydrophobicContact CB-CB 4.28Å; F175-I188 PolarHBondContact N-O 3.39Å; F175-I188 PolarHBondContact O-N 3.23Å; F175-V197 HydrophobicContact CE2-CG2 3.71Å; F175-V197 HydrophobicContact CZ-CG2 3.53Å; F175-F210 AromaticContact CE1-CE1 3.86Å; F175-F210 HydrophobicContact CE1-CE1 3.86Å; F175-F210 AromaticContact CE1-CZ 3.94Å; F175-F210 HydrophobicContact CE1-CZ 3.94Å; F175-F210 HydrophobicContact CZ-CE1 4.02Å; F175-F210 HydrophobicContact CZ-CE2 4.28Å; F175-F210 AromaticContact CZ-CZ 3.6Å; F175-F210 HydrophobicContact CZ-CZ 3.6Å
176	E	98.2	Very high	92.4	Very high	71 Å²	71	58.8 Å²	58.8	33%	0.332	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	114	169.2	-69	-179.9	-158.9	0	0	108.3	Y151 V157 Y159 Y186 L187	Y151-E176 PolarHBondContact OH-O 3.33Å; V157-E176 HydrophobicContact CB-CB 3.91Å; V157-E176 HydrophobicContact CG1-CB 3.73Å; V157-E176 HydrophobicContact CG1-CG 4.19Å; V157-E176 PolarHBondContact O-N 3.06Å; V157-E176 VanDerWaalsContact O-N 3.08Å; Y159-E176 HydrophobicContact CE1-CG 4.21Å; Y159-E176 WeakPolarHBondContact CE1-OE1 3.47Å; E176-Y186 CarbonylContact C-O 3.52Å; E176-Y186 VanDerWaalsContact CA-O 3.31Å; E176-Y186 WeakPolarHBondContact CA-O 3.45Å; E176-L187 HydrophobicContact CG-CD1 3.98Å
177	Y	98.5	Very high	93.4	Very high	20 Å²	20	57.6 Å²	57.6	8%	0.078	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.3	179.1	177.6	-107.5	0	0	0	109.9	F145 V147 Y151 D179 P180 N185 Y186	F145-Y177 HydrophobicContact CD2-CD1 4.45Å; V147-Y177 HydrophobicContact CG1-CD1 4.33Å; V147-Y177 HydrophobicContact CG1-CD2 3.83Å; V147-Y177 HydrophobicContact CG1-CE2 4.06Å; V147-Y177 HydrophobicContact CG1-CG 3.97Å; V147-Y177 HydrophobicContact CG2-CD1 3.7Å; V147-Y177 HydrophobicContact CG2-CE1 4.02Å; V147-Y177 HydrophobicContact CG2-CG 4.04Å; Y151-Y177 HydrophobicContact CD1-CD2 4.08Å; Y151-Y177 HydrophobicContact CD2-CD2 4.01Å; Y151-Y177 HydrophobicContact CD2-CE2 4.38Å; Y151-Y177 HydrophobicContact CE1-CD2 4.03Å; Y151-Y177 HydrophobicContact CE1-CG 4.49Å; Y151-Y177 AromaticContact CE2-CD2 3.97Å; Y151-Y177 HydrophobicContact CE2-CD2 3.97Å; Y151-Y177 HydrophobicContact CG-CD2 4.08Å; Y177-D179 HydrophobicContact CE1-CB 4.13Å; Y177-P180 WeakPolarHBondContact OH-CD 3.11Å; Y177-N185 CarbonylContact O-C 3.57Å; Y177-N185 WeakPolarHBondContact O-CA 3.28Å; Y177-Y186 HydrophobicContact CD1-CD2 4.2Å; Y177-Y186 PolarHBondContact N-O 3.24Å; Y177-Y186 PolarHBondContact O-N 2.87Å
178	K	98	Very high	94.3	Very high	130 Å²	130	54.1 Å²	54.1	57%	0.565	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.2	170.8	-174.2	165.1	-170.6	177	0	109.3	P180 G183 V184 N185	K178-P180 WeakPolarHBondContact O-CD 3.42Å; K178-G183 VanDerWaalsContact CE-O 3.29Å; K178-G183 WeakPolarHBondContact CE-O 3.45Å; K178-V184 CarbonylContact C-O 3.45Å; K178-V184 WeakPolarHBondContact CA-O 3.45Å; K178-N185 WeakPolarHBondContact CB-OD1 3.4Å; K178-N185 VanDerWaalsContact CD-OD1 3.3Å; K178-N185 WeakPolarHBondContact CD-OD1 3.15Å; K178-N185 WeakPolarHBondContact CG-OD1 3.29Å
179	D	96.8	Very high	95.1	Very high	21 Å²	21	50.6 Å²	50.6	11%	0.112	27%	0.271	C	S	.	.			trans	-65.4	120.9	174.3	174.9	-4	0	0	0	109.3	Y177 E181 T182 G183 V184 Y186	Y177-D179 HydrophobicContact CE1-CB 4.13Å; D179-E181 VanDerWaalsContact C-N 3.28Å; D179-E181 PolarHBondContact O-N 2.89Å; D179-E181 WeakPolarHBondContact OD1-CB 3.39Å; D179-E181 PolarHBondContact OD1-N 3.29Å; D179-T182 WeakPolarHBondContact CB-OG1 3.31Å; D179-T182 WeakPolarHBondContact OD2-CG2 3.48Å; D179-T182 PolarHBondContact OD2-OG1 3.44Å; D179-G183 WeakPolarHBondContact O-CA 3.42Å; D179-G183 PolarHBondContact O-N 2.85Å; D179-V184 PolarHBondContact N-O 3.28Å; D179-Y186 HydrophobicContact CB-CE2 3.89Å
180	P	95.1	Very high	95.5	Very high	107 Å²	107	46.8 Å²	46.8	70%	0.695	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.9	-178.6	29.2	-35.9	0	0	0	113.6	Y177 K178	Y177-P180 WeakPolarHBondContact OH-CD 3.11Å; K178-P180 WeakPolarHBondContact O-CD 3.42Å
181	E	93.5	Very high	96	Very high	140 Å²	140	47.7 Å²	47.7	65%	0.654	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-44.9	-179.1	-63.1	-177.2	-163.8	0	0	111	R49 D179	R49-E181 IonicContact CZ-OE1 3.96Å; R49-E181 IonicContact NH1-OE1 2.84Å; R49-E181 IonicContact NH2-OE1 3.14Å; R49-E181 PolarHBondContact NH2-OE1 3.02Å; D179-E181 VanDerWaalsContact C-N 3.28Å; D179-E181 PolarHBondContact O-N 2.89Å; D179-E181 WeakPolarHBondContact OD1-CB 3.39Å; D179-E181 PolarHBondContact OD1-N 3.29Å
182	T	94.8	Very high	96.4	Very high	81 Å²	81	47.3 Å²	47.3	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-21.7	-174.9	62.5	0	0	0	0	113.8	D179 V184	D179-T182 WeakPolarHBondContact CB-OG1 3.31Å; D179-T182 WeakPolarHBondContact OD2-CG2 3.48Å; D179-T182 PolarHBondContact OD2-OG1 3.44Å; T182-V184 PolarHBondContact O-N 2.82Å; T182-V184 PolarHBondContact OG1-N 2.76Å
183	G	96.4	Very high	96.6	Very high	38 Å²	38	45.9 Å²	45.9	39%	0.392	25%	0.253	S	S	.	.			trans	75.9	1.7	-173.1	0	0	0	0	0	114.5	K178 D179	K178-G183 VanDerWaalsContact CE-O 3.29Å; K178-G183 WeakPolarHBondContact CE-O 3.45Å; D179-G183 WeakPolarHBondContact O-CA 3.42Å; D179-G183 PolarHBondContact O-N 2.85Å
184	V	96.8	Very high	96.6	Very high	53 Å²	53	47.1 Å²	47.1	32%	0.321	26%	0.258	S	S	.	.			trans	-70.5	139.7	178.6	178.5	0	0	0	0	110.1	K178 D179 T182 Y186	K178-V184 CarbonylContact C-O 3.45Å; K178-V184 WeakPolarHBondContact CA-O 3.45Å; D179-V184 PolarHBondContact N-O 3.28Å; T182-V184 PolarHBondContact O-N 2.82Å; T182-V184 PolarHBondContact OG1-N 2.76Å; V184-Y186 HydrophobicContact CB-CE2 3.92Å; V184-Y186 HydrophobicContact CG1-CD1 4.31Å; V184-Y186 HydrophobicContact CG1-CD2 4.33Å; V184-Y186 HydrophobicContact CG1-CE1 3.74Å; V184-Y186 HydrophobicContact CG1-CE2 3.77Å; V184-Y186 VanDerWaalsContact CG1-CZ 3.46Å
185	N	97.4	Very high	96.5	Very high	101 Å²	101	47.5 Å²	47.5	54%	0.54	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129	174.1	-75.4	-6.3	0	0	0	110.2	Y177 K178	Y177-N185 CarbonylContact O-C 3.57Å; Y177-N185 WeakPolarHBondContact O-CA 3.28Å; K178-N185 WeakPolarHBondContact CB-OD1 3.4Å; K178-N185 VanDerWaalsContact CD-OD1 3.3Å; K178-N185 WeakPolarHBondContact CD-OD1 3.15Å; K178-N185 WeakPolarHBondContact CG-OD1 3.29Å
186	Y	98.3	Very high	96.5	Very high	11 Å²	11	47.5 Å²	47.5	4%	0.043	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	137	177.1	-57.3	-82.4	0	0	0	110.7	V59 E143 F145 E176 Y177 D179 V184	V59-Y186 HydrophobicContact CG2-CD1 3.99Å; V59-Y186 HydrophobicContact CG2-CE1 3.9Å; E143-Y186 HydrophobicContact CG-CE1 4.5Å; E143-Y186 PolarHBondContact OE1-OH 3.3Å; E143-Y186 PolarHBondContact OE2-OH 2.95Å; F145-Y186 HydrophobicContact CB-CE1 4.41Å; F145-Y186 HydrophobicContact CB-CE2 4.05Å; F145-Y186 AromaticContact CD1-CD1 3.75Å; F145-Y186 HydrophobicContact CD1-CD1 3.75Å; F145-Y186 AromaticContact CD1-CE1 3.58Å; F145-Y186 HydrophobicContact CD1-CE1 3.58Å; F145-Y186 HydrophobicContact CD1-CE2 4.37Å; F145-Y186 HydrophobicContact CD1-CG 4.2Å; F145-Y186 AromaticContact CD1-CZ 3.89Å; F145-Y186 HydrophobicContact CD2-CD1 4.32Å; F145-Y186 AromaticContact CD2-CD2 3.71Å; F145-Y186 HydrophobicContact CD2-CD2 3.71Å; F145-Y186 HydrophobicContact CD2-CE1 4.45Å; F145-Y186 AromaticContact CD2-CE2 3.86Å; F145-Y186 HydrophobicContact CD2-CE2 3.86Å; F145-Y186 AromaticContact CD2-CG 3.93Å; F145-Y186 HydrophobicContact CD2-CG 3.93Å; F145-Y186 AromaticContact CE1-CD1 3.51Å; F145-Y186 HydrophobicContact CE1-CD1 3.51Å; F145-Y186 AromaticContact CE1-CE1 3.85Å; F145-Y186 HydrophobicContact CE1-CE1 3.85Å; F145-Y186 AromaticContact CE1-CG 3.91Å; F145-Y186 HydrophobicContact CE1-CG 3.91Å; F145-Y186 HydrophobicContact CE2-CD1 4.1Å; F145-Y186 AromaticContact CE2-CD2 3.79Å; F145-Y186 HydrophobicContact CE2-CD2 3.79Å; F145-Y186 HydrophobicContact CE2-CE2 4.38Å; F145-Y186 AromaticContact CE2-CG 3.6Å; F145-Y186 HydrophobicContact CE2-CG 3.6Å; F145-Y186 HydrophobicContact CG-CD1 4.14Å; F145-Y186 HydrophobicContact CG-CD2 4.09Å; F145-Y186 AromaticContact CG-CE1 3.91Å; F145-Y186 HydrophobicContact CG-CE1 3.91Å; F145-Y186 AromaticContact CG-CE2 3.84Å; F145-Y186 HydrophobicContact CG-CE2 3.84Å; F145-Y186 HydrophobicContact CG-CG 4.21Å; F145-Y186 AromaticContact CG-CZ 3.72Å; F145-Y186 AromaticContact CZ-CD1 3.69Å; F145-Y186 HydrophobicContact CZ-CD1 3.69Å; F145-Y186 HydrophobicContact CZ-CD2 4.23Å; F145-Y186 HydrophobicContact CZ-CE1 4.37Å; F145-Y186 AromaticContact CZ-CG 3.58Å; F145-Y186 HydrophobicContact CZ-CG 3.58Å; E176-Y186 CarbonylContact C-O 3.52Å; E176-Y186 VanDerWaalsContact CA-O 3.31Å; E176-Y186 WeakPolarHBondContact CA-O 3.45Å; Y177-Y186 HydrophobicContact CD1-CD2 4.2Å; Y177-Y186 PolarHBondContact N-O 3.24Å; Y177-Y186 PolarHBondContact O-N 2.87Å; D179-Y186 HydrophobicContact CB-CE2 3.89Å; V184-Y186 HydrophobicContact CB-CE2 3.92Å; V184-Y186 HydrophobicContact CG1-CD1 4.31Å; V184-Y186 HydrophobicContact CG1-CD2 4.33Å; V184-Y186 HydrophobicContact CG1-CE1 3.74Å; V184-Y186 HydrophobicContact CG1-CE2 3.77Å; V184-Y186 VanDerWaalsContact CG1-CZ 3.46Å
187	L	98.2	Very high	96.5	Very high	62 Å²	62	44.1 Å²	44.1	33%	0.325	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.1	171.8	177.9	63.2	0	0	0	109.7	V71 C174 F175 E176 Q189	V71-L187 WeakPolarHBondContact CG2-O 3.4Å; C174-L187 HydrophobicContact CB-CD1 4.16Å; F175-L187 WeakPolarHBondContact O-CA 3.15Å; E176-L187 HydrophobicContact CG-CD1 3.98Å; L187-Q189 HydrophobicContact CG-CG 4.44Å
188	I	98.5	Very high	96.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.3	-179.8	-46.1	164.4	0	0	0	107.5	F57 V71 F145 V147 F152 F175 T192	F57-I188 HydrophobicContact CE1-CG2 4.16Å; V71-I188 HydrophobicContact CG1-CG1 4.17Å; V71-I188 HydrophobicContact CG1-CG2 4.41Å; F145-I188 HydrophobicContact CE2-CD1 4.33Å; F145-I188 HydrophobicContact CZ-CG1 4.47Å; V147-I188 HydrophobicContact CG2-CD1 3.87Å; F152-I188 HydrophobicContact CE1-CD1 3.87Å; F152-I188 HydrophobicContact CE1-CG2 4.27Å; F152-I188 HydrophobicContact CZ-CD1 3.87Å; F175-I188 HydrophobicContact CB-CB 4.28Å; F175-I188 PolarHBondContact N-O 3.39Å; F175-I188 PolarHBondContact O-N 3.23Å; I188-T192 HydrophobicContact CG2-CG2 3.92Å
189	Q	96.6	Very high	96.4	Very high	52 Å²	52	37.3 Å²	37.3	24%	0.243	22%	0.215	C	C	.	.			trans	-144.6	-179.9	-173	64.3	-177.6	-12.1	0	0	113.4	H173 L187 T192 S193	H173-Q189 WeakPolarHBondContact O-CA 3.37Å; L187-Q189 HydrophobicContact CG-CG 4.44Å; Q189-T192 PolarHBondContact O-N 3.45Å; Q189-S193 VanDerWaalsContact C-OG 3.26Å; Q189-S193 WeakPolarHBondContact CA-OG 3.45Å; Q189-S193 PolarHBondContact O-N 3.12Å
190	G	92.8	Very high	96.5	Very high	22 Å²	22	36.3 Å²	36.3	23%	0.227	21%	0.21	C	C	.	.	H	α-helix	trans	66.3	-137.6	172.9	0	0	0	0	0	114.2	T192 S193 K194	G190-T192 VanDerWaalsContact C-N 3.34Å; G190-S193 PolarHBondContact N-OG 3.18Å; G190-S193 PolarHBondContact O-OG 2.88Å; G190-S193 VanDerWaalsContact O-OG 3.05Å; G190-K194 PolarHBondContact O-N 3.27Å
191	M	93.3	Very high	96.5	Very high	41 Å²	41	31.6 Å²	31.6	20%	0.202	18%	0.179	C	C	.	.	H	α-helix	trans	-64.5	-40.1	177.7	-179.7	-173.2	70.5	0	0	111.4	Y113 V121 S193 K194 L195	Y113-M191 HydrophobicContact CD1-CB 4.27Å; Y113-M191 HydrophobicContact CD1-CG 3.78Å; Y113-M191 HydrophobicContact CD1-SD 3.65Å; Y113-M191 HydrophobicContact CD2-CG 4.12Å; Y113-M191 HydrophobicContact CE1-CB 4.22Å; Y113-M191 HydrophobicContact CE1-CG 4.2Å; Y113-M191 HydrophobicContact CE1-SD 4.47Å; Y113-M191 HydrophobicContact CG-CG 3.73Å; Y113-M191 HydrophobicContact CG-SD 3.8Å; V121-M191 HydrophobicContact CB-CE 4.39Å; V121-M191 HydrophobicContact CB-SD 3.92Å; V121-M191 HydrophobicContact CG1-CE 3.91Å; V121-M191 HydrophobicContact CG1-SD 3.99Å; V121-M191 HydrophobicContact CG2-CE 4.21Å; V121-M191 HydrophobicContact CG2-SD 3.92Å; M191-S193 VanDerWaalsContact C-N 3.35Å; M191-S193 PolarHBondContact O-N 2.9Å; M191-K194 PolarHBondContact O-N 3.41Å; M191-L195 HydrophobicContact CG-CD1 4.13Å; M191-L195 HydrophobicContact CG-CG 4.4Å; M191-L195 PolarHBondContact O-N 2.73Å
192	T	97.1	Very high	96.7	Very high	13 Å²	13	25.5 Å²	25.5	8%	0.08	15%	0.151	C	C	.	.	H	α-helix	trans	-56.1	-48.9	179.4	-53.1	0	0	0	0	111.1	F57 V71 F73 I188 Q189 G190 L195 A196	F57-T192 HydrophobicContact CD1-CG2 3.79Å; F57-T192 HydrophobicContact CE1-CG2 3.64Å; V71-T192 PolarHBondContact O-OG1 3.2Å; F73-T192 HydrophobicContact CD2-CG2 4.07Å; F73-T192 HydrophobicContact CE2-CG2 4.03Å; I188-T192 HydrophobicContact CG2-CG2 3.92Å; Q189-T192 PolarHBondContact O-N 3.45Å; G190-T192 VanDerWaalsContact C-N 3.34Å; T192-L195 PolarHBondContact O-N 3.33Å; T192-A196 WeakPolarHBondContact O-CB 3.25Å; T192-A196 PolarHBondContact O-N 2.91Å
193	S	97.2	Very high	96.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-37.1	178.5	66.7	0	0	0	0	112.8	H173 Q189 G190 M191 A196 V197	H173-S193 WeakPolarHBondContact O-CB 3.46Å; H173-S193 PolarHBondContact O-OG 2.83Å; Q189-S193 VanDerWaalsContact C-OG 3.26Å; Q189-S193 WeakPolarHBondContact CA-OG 3.45Å; Q189-S193 PolarHBondContact O-N 3.12Å; G190-S193 PolarHBondContact N-OG 3.18Å; G190-S193 PolarHBondContact O-OG 2.88Å; G190-S193 VanDerWaalsContact O-OG 3.05Å; M191-S193 VanDerWaalsContact C-N 3.35Å; M191-S193 PolarHBondContact O-N 2.9Å; S193-A196 PolarHBondContact O-N 3.08Å; S193-V197 VanDerWaalsContact O-CG2 3.32Å; S193-V197 WeakPolarHBondContact O-CG2 3.34Å; S193-V197 PolarHBondContact O-N 3.29Å
194	K	94.9	Very high	96.8	Very high	26 Å²	26	21.7 Å²	21.7	11%	0.113	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-44.5	174.6	-79	-171.6	172.9	-166	0	112.5	Y113 I171 G190 M191 L198 D213	Y113-K194 HydrophobicContact CE2-CD 4.21Å; I171-K194 WeakPolarHBondContact O-CE 3.45Å; I171-K194 PolarHBondContact O-NZ 3.05Å; I171-K194 VanDerWaalsContact O-NZ 3.12Å; G190-K194 PolarHBondContact O-N 3.27Å; M191-K194 PolarHBondContact O-N 3.41Å; K194-L198 WeakPolarHBondContact O-CB 3.46Å; K194-L198 PolarHBondContact O-N 2.85Å; K194-D213 IonicContact NZ-OD2 3.28Å; K194-D213 PolarHBondContact NZ-OD2 3.25Å
195	L	96.7	Very high	96.7	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-66.1	-41.4	176.9	-71.7	175.9	0	0	0	111.6	V42 F73 P123 M191 T192 L198 V199	V42-L195 HydrophobicContact CG2-CD1 4.05Å; F73-L195 HydrophobicContact CD2-CB 4.45Å; F73-L195 HydrophobicContact CD2-CD1 4.29Å; F73-L195 HydrophobicContact CE2-CB 3.79Å; F73-L195 HydrophobicContact CE2-CD1 4.44Å; P123-L195 HydrophobicContact CB-CD1 4.14Å; P123-L195 HydrophobicContact CB-CD2 3.89Å; P123-L195 HydrophobicContact CG-CD1 4.06Å; P123-L195 HydrophobicContact CG-CD2 3.45Å; P123-L195 VanDerWaalsContact CG-CD2 3.45Å; P123-L195 HydrophobicContact CG-CG 4.42Å; M191-L195 HydrophobicContact CG-CD1 4.13Å; M191-L195 HydrophobicContact CG-CG 4.4Å; M191-L195 PolarHBondContact O-N 2.73Å; T192-L195 PolarHBondContact O-N 3.33Å; L195-L198 PolarHBondContact O-N 2.88Å; L195-V199 WeakPolarHBondContact O-CG2 3.49Å; L195-V199 PolarHBondContact O-N 3.03Å
196	A	98.3	Very high	96.6	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-45.1	176.5	0	0	0	0	0	112.2	L55 F57 F73 F152 T192 S193 V199 A200	L55-A196 HydrophobicContact CD1-CB 3.77Å; F57-A196 HydrophobicContact CZ-CB 4.17Å; F73-A196 HydrophobicContact CZ-CB 4.26Å; F152-A196 HydrophobicContact CD1-CB 3.61Å; F152-A196 HydrophobicContact CD2-CB 4.06Å; F152-A196 HydrophobicContact CE1-CB 3.61Å; F152-A196 HydrophobicContact CE2-CB 4.07Å; F152-A196 HydrophobicContact CG-CB 3.83Å; F152-A196 HydrophobicContact CZ-CB 3.86Å; T192-A196 WeakPolarHBondContact O-CB 3.25Å; T192-A196 PolarHBondContact O-N 2.91Å; S193-A196 PolarHBondContact O-N 3.08Å; A196-V199 PolarHBondContact O-N 3.46Å; A196-A200 WeakPolarHBondContact O-CB 3.4Å; A196-A200 PolarHBondContact O-N 2.84Å
197	V	97	Very high	96.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61.7	-47.1	174.4	172.3	0	0	0	0	110.8	F152 F175 S193 V199 A200 L201 F210 I212 F214	F152-V197 HydrophobicContact CB-CG2 4.35Å; F175-V197 HydrophobicContact CE2-CG2 3.71Å; F175-V197 HydrophobicContact CZ-CG2 3.53Å; S193-V197 VanDerWaalsContact O-CG2 3.32Å; S193-V197 WeakPolarHBondContact O-CG2 3.34Å; S193-V197 PolarHBondContact O-N 3.29Å; V197-V199 VanDerWaalsContact C-N 3.33Å; V197-V199 PolarHBondContact O-N 3.39Å; V197-A200 PolarHBondContact O-N 3.26Å; V197-L201 HydrophobicContact CG1-CD1 3.87Å; V197-L201 HydrophobicContact CG1-CG 4.17Å; V197-L201 VanDerWaalsContact O-CG 3.27Å; V197-L201 WeakPolarHBondContact O-CG 3.06Å; V197-L201 PolarHBondContact O-N 3.36Å; V197-F210 HydrophobicContact CG2-CE2 4.43Å; V197-F210 HydrophobicContact CG2-CZ 4.09Å; V197-I212 HydrophobicContact CG1-CG2 4.2Å; V197-F214 HydrophobicContact CB-CE2 4.47Å; V197-F214 HydrophobicContact CG1-CD2 4.4Å; V197-F214 HydrophobicContact CG1-CE2 3.98Å
198	L	96.7	Very high	96.2	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.037	14%	0.142	C	C	.	.	H	α-helix	trans	-57.7	-46.4	179.7	177.9	59.8	0	0	0	111.7	L110 K194 L195 A200 L201 I202 F214 L219	L110-L198 HydrophobicContact CD1-CD2 4.16Å; K194-L198 WeakPolarHBondContact O-CB 3.46Å; K194-L198 PolarHBondContact O-N 2.85Å; L195-L198 PolarHBondContact O-N 2.88Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.49Å; L198-L201 PolarHBondContact O-N 2.89Å; L198-I202 HydrophobicContact CD1-CD1 3.98Å; L198-I202 HydrophobicContact CD1-CG1 4.32Å; L198-I202 HydrophobicContact CG-CD1 3.91Å; L198-I202 VanDerWaalsContact O-CG1 3.27Å; L198-I202 WeakPolarHBondContact O-CG1 3.3Å; L198-I202 PolarHBondContact O-N 3.32Å; L198-F214 HydrophobicContact CB-CZ 4.11Å; L198-F214 HydrophobicContact CD1-CE1 4.43Å; L198-L219 HydrophobicContact CD1-CD1 3.77Å; L198-L219 HydrophobicContact CD1-CD2 3.96Å; L198-L219 HydrophobicContact CD1-CG 3.82Å
199	V	98	Very high	95.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-41.2	178.4	174	0	0	0	0	110.9	V44 L46 L55 L110 L149 L195 A196 V197 I202 I203	V44-V199 HydrophobicContact CG1-CG1 4.5Å; V44-V199 HydrophobicContact CG1-CG2 3.81Å; L46-V199 HydrophobicContact CD1-CG1 4.39Å; L46-V199 HydrophobicContact CD2-CG1 4.36Å; L55-V199 HydrophobicContact CD2-CG1 4.41Å; L110-V199 HydrophobicContact CD1-CG2 3.66Å; L149-V199 HydrophobicContact CD1-CG1 4.14Å; L195-V199 WeakPolarHBondContact O-CG2 3.49Å; L195-V199 PolarHBondContact O-N 3.03Å; A196-V199 PolarHBondContact O-N 3.46Å; V197-V199 VanDerWaalsContact C-N 3.33Å; V197-V199 PolarHBondContact O-N 3.39Å; V199-I202 PolarHBondContact O-N 2.91Å; V199-I203 HydrophobicContact CG1-CD1 3.58Å; V199-I203 HydrophobicContact CG1-CG1 4.39Å; V199-I203 WeakPolarHBondContact O-CB 3.41Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 3.49Å
200	A	98.1	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.4	-42.3	176	0	0	0	0	0	111.9	L149 F152 L153 A196 V197 L198 I203 L204	L149-A200 HydrophobicContact CD1-CB 3.77Å; L149-A200 HydrophobicContact CG-CB 4.03Å; F152-A200 HydrophobicContact CB-CB 4.06Å; L153-A200 HydrophobicContact CD1-CB 4.3Å; L153-A200 HydrophobicContact CD2-CB 3.87Å; L153-A200 HydrophobicContact CG-CB 3.84Å; A196-A200 WeakPolarHBondContact O-CB 3.4Å; A196-A200 PolarHBondContact O-N 2.84Å; V197-A200 PolarHBondContact O-N 3.26Å; L198-A200 VanDerWaalsContact C-N 3.34Å; L198-A200 PolarHBondContact O-N 3.49Å; A200-I203 PolarHBondContact O-N 2.92Å; A200-L204 HydrophobicContact CB-CD1 4.4Å; A200-L204 WeakPolarHBondContact O-CB 3.32Å; A200-L204 WeakPolarHBondContact O-CG 3.47Å; A200-L204 PolarHBondContact O-N 3.14Å
201	L	97	Very high	95.6	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.047	19%	0.189	C	C	.	.	H	α-helix	trans	-61.1	-46.7	175.2	-69.9	172.7	0	0	0	111.8	L153 V197 L198 E205 Q206 P208 I212 F214 L216 L219	L153-L201 HydrophobicContact CD2-CD2 3.69Å; L153-L201 HydrophobicContact CD2-CG 4.03Å; V197-L201 HydrophobicContact CG1-CD1 3.87Å; V197-L201 HydrophobicContact CG1-CG 4.17Å; V197-L201 VanDerWaalsContact O-CG 3.27Å; V197-L201 WeakPolarHBondContact O-CG 3.06Å; V197-L201 PolarHBondContact O-N 3.36Å; L198-L201 PolarHBondContact O-N 2.89Å; L201-E205 WeakPolarHBondContact O-CA 3.41Å; L201-E205 PolarHBondContact O-N 3.16Å; L201-E205 VanDerWaalsContact O-N 3.1Å; L201-Q206 WeakPolarHBondContact CD2-O 3.4Å; L201-P208 HydrophobicContact CD2-CG 4.34Å; L201-I212 HydrophobicContact CD1-CD1 4.03Å; L201-F214 HydrophobicContact CD1-CD2 3.76Å; L201-F214 HydrophobicContact CD1-CE2 4.35Å; L201-F214 HydrophobicContact CD1-CG 4.43Å; L201-L216 HydrophobicContact CD1-CD2 4.12Å; L201-L216 HydrophobicContact CD2-CD2 3.75Å; L201-L216 HydrophobicContact CG-CD2 4.5Å; L201-L219 HydrophobicContact CB-CD2 3.91Å; L201-L219 HydrophobicContact CD1-CD1 4.14Å
202	I	97	Very high	95.4	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.056	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-47.7	179.4	-68.5	163.2	0	0	0	110.7	R22 L23 L110 L198 V199 L219 I220	R22-I202 HydrophobicContact CB-CG2 4.24Å; R22-I202 WeakPolarHBondContact CD-O 3.38Å; L23-I202 HydrophobicContact CD2-CG2 4.06Å; L23-I202 HydrophobicContact CG-CG2 4.43Å; L110-I202 HydrophobicContact CD2-CD1 4.03Å; L198-I202 HydrophobicContact CD1-CD1 3.98Å; L198-I202 HydrophobicContact CD1-CG1 4.32Å; L198-I202 HydrophobicContact CG-CD1 3.91Å; L198-I202 VanDerWaalsContact O-CG1 3.27Å; L198-I202 WeakPolarHBondContact O-CG1 3.3Å; L198-I202 PolarHBondContact O-N 3.32Å; V199-I202 PolarHBondContact O-N 2.91Å; I202-L219 HydrophobicContact CG1-CD2 3.82Å; I202-I220 HydrophobicContact CD1-CD1 4Å; I202-I220 HydrophobicContact CG1-CD1 4.38Å
203	I	97.6	Very high	94.7	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-82.3	-40.5	-170.7	-66.9	174	0	0	0	112	A19 R22 L23 L46 L53 L149 V199 A200	A19-I203 HydrophobicContact CB-CD1 4.44Å; A19-I203 HydrophobicContact CB-CG1 4.36Å; A19-I203 HydrophobicContact CB-CG2 3.66Å; R22-I203 WeakPolarHBondContact CD-O 3.48Å; R22-I203 PolarHBondContact NH1-O 2.93Å; L23-I203 HydrophobicContact CD1-CD1 3.9Å; L23-I203 HydrophobicContact CD1-CG1 4.23Å; L23-I203 HydrophobicContact CD2-CD1 4.22Å; L23-I203 HydrophobicContact CD2-CG1 4.15Å; L23-I203 HydrophobicContact CG-CD1 4.12Å; L23-I203 HydrophobicContact CG-CG1 3.95Å; L46-I203 HydrophobicContact CD1-CD1 3.49Å; L46-I203 VanDerWaalsContact CD1-CD1 3.49Å; L46-I203 HydrophobicContact CD2-CD1 4.2Å; L53-I203 HydrophobicContact CD1-CG2 3.6Å; L149-I203 HydrophobicContact CD2-CB 3.92Å; L149-I203 HydrophobicContact CD2-CD1 3.94Å; L149-I203 HydrophobicContact CD2-CG2 3.8Å; V199-I203 HydrophobicContact CG1-CD1 3.58Å; V199-I203 HydrophobicContact CG1-CG1 4.39Å; V199-I203 WeakPolarHBondContact O-CB 3.41Å; V199-I203 WeakPolarHBondContact O-CG1 3.33Å; V199-I203 PolarHBondContact O-N 3.49Å; A200-I203 PolarHBondContact O-N 2.92Å
204	L	96.3	Very high	93.9	Very high	37 Å²	37	38.7 Å²	38.7	19%	0.194	21%	0.206	C	C	.	.	H	α-helix	trans	-91	-17.1	-173.2	-56.6	178.9	0	0	0	112.8	L149 D150 L153 A200 Q206	L149-L204 HydrophobicContact CD2-CD1 4.41Å; L149-L204 HydrophobicContact CD2-CD2 4.17Å; L149-L204 HydrophobicContact CD2-CG 4.11Å; L149-L204 HydrophobicContact CG-CD1 4.11Å; L149-L204 HydrophobicContact CG-CG 4.34Å; D150-L204 HydrophobicContact CB-CD1 4.15Å; L153-L204 HydrophobicContact CD1-CB 3.86Å; L153-L204 HydrophobicContact CD1-CD1 3.73Å; L153-L204 HydrophobicContact CD1-CG 4.36Å; L153-L204 HydrophobicContact CG-CD1 4.36Å; A200-L204 HydrophobicContact CB-CD1 4.4Å; A200-L204 WeakPolarHBondContact O-CB 3.32Å; A200-L204 WeakPolarHBondContact O-CG 3.47Å; A200-L204 PolarHBondContact O-N 3.14Å; L204-Q206 HydrophobicContact CB-CB 4.43Å; L204-Q206 WeakPolarHBondContact O-CG 3.34Å; L204-Q206 PolarHBondContact O-N 2.97Å; L204-Q206 VanDerWaalsContact O-N 3.15Å; L204-Q206 PolarHBondContact O-NE2 2.87Å
205	E	94.1	Very high	93.5	Very high	124 Å²	124	40.5 Å²	40.5	58%	0.579	22%	0.217	S	C	*	.			trans	50.2	36.9	-178.7	-64.8	177.5	161.1	0	0	112.5	R22 L201	R22-E205 IonicContact CZ-OE2 3.85Å; R22-E205 IonicContact NE-OE1 3.82Å; R22-E205 PolarHBondContact NE-OE1 3.06Å; R22-E205 IonicContact NE-OE2 3.19Å; R22-E205 PolarHBondContact NE-OE2 3.45Å; R22-E205 IonicContact NH2-OE2 2.84Å; R22-E205 PolarHBondContact NH2-OE2 2.78Å; L201-E205 WeakPolarHBondContact O-CA 3.41Å; L201-E205 PolarHBondContact O-N 3.16Å; L201-E205 VanDerWaalsContact O-N 3.1Å
206	Q	94.4	Very high	92.9	Very high	94 Å²	94	43.8 Å²	43.8	44%	0.439	23%	0.234	S	C	.	.			trans	-118.8	145.5	-177.3	-79.4	167.2	57.2	0	0	110.9	L153 L201 L204	L153-Q206 HydrophobicContact CD1-CB 3.72Å; L201-Q206 WeakPolarHBondContact CD2-O 3.4Å; L204-Q206 HydrophobicContact CB-CB 4.43Å; L204-Q206 WeakPolarHBondContact O-CG 3.34Å; L204-Q206 PolarHBondContact O-N 2.97Å; L204-Q206 VanDerWaalsContact O-N 3.15Å; L204-Q206 PolarHBondContact O-NE2 2.87Å
207	S	93.3	Very high	92.3	Very high	83 Å²	83	52.7 Å²	52.7	58%	0.58	28%	0.275	S	S	*	.			trans	-76.2	136.4	174	-62.5	0	0	0	0	110.9
208	P	94.8	Very high	92	Very high	18 Å²	18	55.2 Å²	55.2	12%	0.117	29%	0.289	C	S	.	.			trans	-72.7	157.5	178.6	28.5	-29.2	0	0	0	111.3	L153 L201 F210 I212	L153-P208 HydrophobicContact CD2-CB 4.12Å; L153-P208 WeakPolarHBondContact O-CA 3.06Å; L201-P208 HydrophobicContact CD2-CG 4.34Å; P208-F210 HydrophobicContact CB-CD1 4.12Å; P208-F210 HydrophobicContact CB-CD2 4.25Å; P208-F210 HydrophobicContact CB-CE1 3.8Å; P208-F210 HydrophobicContact CB-CE2 3.95Å; P208-F210 HydrophobicContact CB-CG 4.32Å; P208-F210 HydrophobicContact CB-CZ 3.7Å; P208-F210 HydrophobicContact CG-CE2 4.44Å; P208-F210 PolarHBondContact O-N 2.78Å; P208-F210 VanDerWaalsContact O-N 3.16Å; P208-I212 HydrophobicContact CB-CG2 4.46Å; P208-I212 HydrophobicContact CG-CD1 3.89Å; P208-I212 HydrophobicContact CG-CG1 4.15Å; P208-I212 HydrophobicContact CG-CG2 3.67Å
209	A	93.5	Very high	91.6	Very high	79 Å²	79	56.2 Å²	56.2	65%	0.653	29%	0.294	S	S	*	.	S	Bend	trans	-74.6	6.4	175.4	0	0	0	0	0	113.9	L153	L153-A209 PolarHBondContact O-N 2.74Å
210	F	93.5	Very high	91.3	Very high	26 Å²	26	57.6 Å²	57.6	11%	0.114	30%	0.301	C	S	.	.	S	Bend	trans	-141.1	166.1	-174.8	52.8	-94.1	0	0	0	110.9	F152 P155 Y158 H173 F175 V197 P208 I212	F152-F210 WeakPolarHBondContact O-CE1 3.5Å; F152-F210 WeakPolarHBondContact O-CZ 3.33Å; P155-F210 HydrophobicContact CG-CD1 4.08Å; P155-F210 HydrophobicContact CG-CE1 4Å; Y158-F210 HydrophobicContact CD1-CB 3.95Å; Y158-F210 HydrophobicContact CD1-CD1 4.22Å; Y158-F210 HydrophobicContact CD1-CG 4.13Å; Y158-F210 HydrophobicContact CD2-CD1 4.41Å; Y158-F210 HydrophobicContact CE1-CB 3.32Å; Y158-F210 HydrophobicContact CE1-CD1 4.16Å; Y158-F210 HydrophobicContact CE1-CD2 4.12Å; Y158-F210 AromaticContact CE1-CG 3.61Å; Y158-F210 HydrophobicContact CE1-CG 3.61Å; Y158-F210 HydrophobicContact CE2-CD1 4.31Å; Y158-F210 AromaticContact CE2-CD2 3.98Å; Y158-F210 HydrophobicContact CE2-CD2 3.98Å; Y158-F210 HydrophobicContact CE2-CE2 4.21Å; Y158-F210 HydrophobicContact CE2-CG 4.05Å; Y158-F210 HydrophobicContact CE2-CZ 4.5Å; Y158-F210 HydrophobicContact CG-CD1 4.35Å; Y158-F210 AromaticContact CZ-CD2 3.58Å; Y158-F210 AromaticContact CZ-CG 3.55Å; Y158-F210 WeakPolarHBondContact OH-CD2 3.27Å; H173-F210 AromaticContact CE1-CE2 3.97Å; H173-F210 AromaticContact ND1-CE2 3.89Å; F175-F210 AromaticContact CE1-CE1 3.86Å; F175-F210 HydrophobicContact CE1-CE1 3.86Å; F175-F210 AromaticContact CE1-CZ 3.94Å; F175-F210 HydrophobicContact CE1-CZ 3.94Å; F175-F210 HydrophobicContact CZ-CE1 4.02Å; F175-F210 HydrophobicContact CZ-CE2 4.28Å; F175-F210 AromaticContact CZ-CZ 3.6Å; F175-F210 HydrophobicContact CZ-CZ 3.6Å; V197-F210 HydrophobicContact CG2-CE2 4.43Å; V197-F210 HydrophobicContact CG2-CZ 4.09Å; P208-F210 HydrophobicContact CB-CD1 4.12Å; P208-F210 HydrophobicContact CB-CD2 4.25Å; P208-F210 HydrophobicContact CB-CE1 3.8Å; P208-F210 HydrophobicContact CB-CE2 3.95Å; P208-F210 HydrophobicContact CB-CG 4.32Å; P208-F210 HydrophobicContact CB-CZ 3.7Å; P208-F210 HydrophobicContact CG-CE2 4.44Å; P208-F210 PolarHBondContact O-N 2.78Å; P208-F210 VanDerWaalsContact O-N 3.16Å; F210-I212 HydrophobicContact CD2-CG2 3.93Å; F210-I212 HydrophobicContact CE2-CG2 3.57Å
211	K	89.8	Confident	91.1	Very high	159 Å²	159	59.9 Å²	59.9	69%	0.691	32%	0.316	S	S	*	.			trans	-72.9	139.5	176.6	-66.7	-173.9	179.4	-177.5	0	110.7	I171 H173	I171-K211 HydrophobicContact CD1-CB 4.4Å; H173-K211 PolarHBondContact CE1-O 2.79Å
212	I	87.4	Confident	90.8	Very high	31 Å²	31	60.1 Å²	60.1	16%	0.159	32%	0.318	C	S	.	.			trans	-122.9	153.2	178.4	47.5	171.1	0	0	0	110.4	V197 L201 P208 F210 F214 L216	V197-I212 HydrophobicContact CG1-CG2 4.2Å; L201-I212 HydrophobicContact CD1-CD1 4.03Å; P208-I212 HydrophobicContact CB-CG2 4.46Å; P208-I212 HydrophobicContact CG-CD1 3.89Å; P208-I212 HydrophobicContact CG-CG1 4.15Å; P208-I212 HydrophobicContact CG-CG2 3.67Å; F210-I212 HydrophobicContact CD2-CG2 3.93Å; F210-I212 HydrophobicContact CE2-CG2 3.57Å; I212-F214 HydrophobicContact CB-CD2 4.16Å; I212-F214 HydrophobicContact CD1-CB 4.19Å; I212-L216 HydrophobicContact CD1-CD1 3.97Å; I212-L216 HydrophobicContact CD1-CD2 3.35Å; I212-L216 HydrophobicContact CD1-CG 3.53Å
213	D	82.8	Confident	90.6	Very high	60 Å²	60	60.2 Å²	60.2	32%	0.321	32%	0.32	S	S	.	.	S	Bend	trans	-78.4	-9.7	173.8	-67.8	-18.8	0	0	0	112.4	I171 K194	I171-D213 VanDerWaalsContact CB-OD1 3.28Å; I171-D213 WeakPolarHBondContact CB-OD1 3.39Å; I171-D213 VanDerWaalsContact CD1-OD1 3.26Å; I171-D213 WeakPolarHBondContact CD1-OD1 3.32Å; I171-D213 WeakPolarHBondContact CG1-OD1 3.46Å; I171-D213 PolarHBondContact N-OD1 3.44Å; I171-D213 PolarHBondContact N-OD2 3.46Å; K194-D213 IonicContact NZ-OD2 3.28Å; K194-D213 PolarHBondContact NZ-OD2 3.25Å
214	F	81	Confident	90.4	Very high	37 Å²	37	61.4 Å²	61.4	16%	0.162	33%	0.325	C	S	.	.	S	Bend	trans	-83	145	-178.4	-54.2	-68.3	0	0	0	111.9	V197 L198 L201 I212 L216 L219 C223	V197-F214 HydrophobicContact CB-CE2 4.47Å; V197-F214 HydrophobicContact CG1-CD2 4.4Å; V197-F214 HydrophobicContact CG1-CE2 3.98Å; L198-F214 HydrophobicContact CB-CZ 4.11Å; L198-F214 HydrophobicContact CD1-CE1 4.43Å; L201-F214 HydrophobicContact CD1-CD2 3.76Å; L201-F214 HydrophobicContact CD1-CE2 4.35Å; L201-F214 HydrophobicContact CD1-CG 4.43Å; I212-F214 HydrophobicContact CB-CD2 4.16Å; I212-F214 HydrophobicContact CD1-CB 4.19Å; F214-L216 PolarHBondContact O-N 2.95Å; F214-L219 HydrophobicContact CB-CD1 3.58Å; F214-L219 HydrophobicContact CD1-CD1 4.16Å; F214-L219 HydrophobicContact CG-CD1 3.87Å; F214-C223 VanDerWaalsContact CD1-SG 3.5Å; F214-C223 VanDerWaalsContact CE1-SG 3.56Å
215	D	85.8	Confident	90.2	Very high	65 Å²	65	65.6 Å²	65.6	35%	0.348	34%	0.338	S	S	.	.			trans	-82.4	107.8	166.9	-172.1	-21.8	0	0	0	108.8	H217 D218 L219	D215-H217 PolarHBondContact O-N 3.11Å; D215-H217 PolarHBondContact OD1-N 2.85Å; D215-D218 HydrophobicContact CB-CB 4.41Å; D215-D218 CarbonylContact O-C 3.59Å; D215-D218 PolarHBondContact O-N 3.35Å; D215-D218 VanDerWaalsContact O-N 3.14Å; D215-D218 PolarHBondContact OD1-N 3.5Å; D215-L219 WeakPolarHBondContact O-CA 3.45Å; D215-L219 PolarHBondContact O-N 2.9Å
216	L	84.4	Confident	90	Very high	76 Å²	76	62.1 Å²	62.1	40%	0.398	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.5	-178.4	-72.1	178.6	0	0	0	113.7	L201 I212 F214	L201-L216 HydrophobicContact CD1-CD2 4.12Å; L201-L216 HydrophobicContact CD2-CD2 3.75Å; L201-L216 HydrophobicContact CG-CD2 4.5Å; I212-L216 HydrophobicContact CD1-CD1 3.97Å; I212-L216 HydrophobicContact CD1-CD2 3.35Å; I212-L216 HydrophobicContact CD1-CG 3.53Å; F214-L216 PolarHBondContact O-N 2.95Å
217	H	85.4	Confident	89.9	Confident	187 Å²	187	58 Å²	58	87%	0.866	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-15.1	178.3	-63.1	-67.3	0	0	0	112.5	D215	D215-H217 PolarHBondContact O-N 3.11Å; D215-H217 PolarHBondContact OD1-N 2.85Å
218	D	90.4	Very high	89.8	Confident	53 Å²	53	57.8 Å²	57.8	28%	0.283	30%	0.299	S	S	.	.	S	Bend	trans	-144.9	49.5	-175.2	-168	34.9	0	0	0	111	D215 I220 P221 S222 R225	D215-D218 HydrophobicContact CB-CB 4.41Å; D215-D218 CarbonylContact O-C 3.59Å; D215-D218 PolarHBondContact O-N 3.35Å; D215-D218 VanDerWaalsContact O-N 3.14Å; D215-D218 PolarHBondContact OD1-N 3.5Å; D218-I220 PolarHBondContact O-N 2.69Å; D218-P221 WeakPolarHBondContact O-CD 3.02Å; D218-P221 WeakPolarHBondContact OD1-CB 3.48Å; D218-P221 VanDerWaalsContact OD1-CD 3.24Å; D218-P221 WeakPolarHBondContact OD1-CD 3.5Å; D218-P221 WeakPolarHBondContact OD1-CG 3.42Å; D218-P221 WeakPolarHBondContact OD2-CB 3.24Å; D218-S222 WeakPolarHBondContact O-CB 3.37Å; D218-S222 PolarHBondContact O-N 3.39Å; D218-R225 IonicContact OD2-CZ 2.88Å; D218-R225 VanDerWaalsContact OD2-CZ 3.23Å; D218-R225 IonicContact OD2-NH1 2.99Å; D218-R225 PolarHBondContact OD2-NH1 2.85Å; D218-R225 IonicContact OD2-NH2 3.99Å; D218-R225 PolarHBondContact OD2-NH2 3.48Å
219	L	90.1	Very high	89.6	Confident	28 Å²	28	59.5 Å²	59.5	15%	0.147	30%	0.303	C	S	.	.	H	α-helix	trans	-55.1	-54.8	-164.2	-177.9	59.3	0	0	0	113.4	L198 L201 I202 F214 D215 C223	L198-L219 HydrophobicContact CD1-CD1 3.77Å; L198-L219 HydrophobicContact CD1-CD2 3.96Å; L198-L219 HydrophobicContact CD1-CG 3.82Å; L201-L219 HydrophobicContact CB-CD2 3.91Å; L201-L219 HydrophobicContact CD1-CD1 4.14Å; I202-L219 HydrophobicContact CG1-CD2 3.82Å; F214-L219 HydrophobicContact CB-CD1 3.58Å; F214-L219 HydrophobicContact CD1-CD1 4.16Å; F214-L219 HydrophobicContact CG-CD1 3.87Å; D215-L219 WeakPolarHBondContact O-CA 3.45Å; D215-L219 PolarHBondContact O-N 2.9Å; L219-C223 PolarHBondContact O-N 3.36Å; L219-C223 PolarHBondContact O-SG 2.99Å
220	I	91.5	Very high	89.4	Confident	29 Å²	29	56.8 Å²	56.8	15%	0.149	28%	0.276	C	S	.	.	H	α-helix	trans	-71.6	-49.7	-175.8	-55.1	-57.6	0	0	0	111.5	V28 V111 I202 D218 S222 C223 E224	V28-I220 HydrophobicContact CG1-CG2 4.43Å; V111-I220 HydrophobicContact CG2-CG2 4.17Å; I202-I220 HydrophobicContact CD1-CD1 4Å; I202-I220 HydrophobicContact CG1-CD1 4.38Å; D218-I220 PolarHBondContact O-N 2.69Å; I220-S222 PolarHBondContact O-N 2.83Å; I220-C223 WeakPolarHBondContact O-CA 3.44Å; I220-C223 WeakPolarHBondContact O-CB 3.48Å; I220-C223 PolarHBondContact O-N 3.45Å; I220-E224 HydrophobicContact CG2-CG 4.49Å; I220-E224 PolarHBondContact O-N 3.5Å
221	P	92.7	Very high	89.2	Confident	48 Å²	48	57.2 Å²	57.2	31%	0.312	28%	0.277	S	S	.	.	H	α-helix	trans	-64	-29.4	178	-24.5	38.1	0	0	0	113	D218 E224 R225	D218-P221 WeakPolarHBondContact O-CD 3.02Å; D218-P221 WeakPolarHBondContact OD1-CB 3.48Å; D218-P221 VanDerWaalsContact OD1-CD 3.24Å; D218-P221 WeakPolarHBondContact OD1-CD 3.5Å; D218-P221 WeakPolarHBondContact OD1-CG 3.42Å; D218-P221 WeakPolarHBondContact OD2-CB 3.24Å; P221-E224 PolarHBondContact O-N 2.97Å; P221-R225 WeakPolarHBondContact O-CG 3.39Å; P221-R225 PolarHBondContact O-N 2.96Å
222	S	91.2	Very high	89.2	Confident	15 Å²	15	52.6 Å²	52.6	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-65.7	-40.9	171	-173.6	0	0	0	0	112.5	D218 I220 T226	D218-S222 WeakPolarHBondContact O-CB 3.37Å; D218-S222 PolarHBondContact O-N 3.39Å; I220-S222 PolarHBondContact O-N 2.83Å; S222-T226 WeakPolarHBondContact O-CB 3.26Å; S222-T226 PolarHBondContact O-N 2.92Å; S222-T226 PolarHBondContact O-OG1 2.82Å
223	C	92.3	Very high	89.1	Confident	12 Å²	12	53.4 Å²	53.4	8%	0.081	27%	0.269	C	S	.	.	H	α-helix	trans	-61.1	-46.7	171.4	-67.4	0	0	0	0	111.2	V111 F214 L219 I220 R225 T226 F227	V111-C223 HydrophobicContact CB-CB 4.08Å; V111-C223 HydrophobicContact CG1-CB 4.33Å; V111-C223 HydrophobicContact CG2-CB 3.8Å; F214-C223 VanDerWaalsContact CD1-SG 3.5Å; F214-C223 VanDerWaalsContact CE1-SG 3.56Å; L219-C223 PolarHBondContact O-N 3.36Å; L219-C223 PolarHBondContact O-SG 2.99Å; I220-C223 WeakPolarHBondContact O-CA 3.44Å; I220-C223 WeakPolarHBondContact O-CB 3.48Å; I220-C223 PolarHBondContact O-N 3.45Å; C223-R225 PolarHBondContact O-N 3.15Å; C223-T226 PolarHBondContact O-N 3.33Å; C223-F227 WeakPolarHBondContact O-CB 3.13Å; C223-F227 PolarHBondContact O-N 3.22Å
224	E	93.8	Very high	89.1	Confident	29 Å²	29	51.7 Å²	51.7	14%	0.136	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-44.1	179	-68.6	-172.7	144	0	0	112.2	V28 R31 Y32 V111 I220 P221 T226 F227 L228	V28-E224 WeakPolarHBondContact CG1-OE1 3.39Å; R31-E224 IonicContact CZ-OE1 2.74Å; R31-E224 IonicContact NH1-OE1 3.23Å; R31-E224 PolarHBondContact NH1-OE1 3.12Å; R31-E224 IonicContact NH1-OE2 3.53Å; R31-E224 PolarHBondContact NH1-OE2 2.72Å; Y32-E224 HydrophobicContact CE2-CG 4.34Å; Y32-E224 WeakPolarHBondContact OH-CG 2.93Å; Y32-E224 PolarHBondContact OH-OE1 3.44Å; V111-E224 HydrophobicContact CG1-CG 4.19Å; V111-E224 HydrophobicContact CG2-CG 3.58Å; I220-E224 HydrophobicContact CG2-CG 4.49Å; I220-E224 PolarHBondContact O-N 3.5Å; P221-E224 PolarHBondContact O-N 2.97Å; E224-T226 VanDerWaalsContact C-N 3.34Å; E224-T226 PolarHBondContact O-N 3.05Å; E224-F227 PolarHBondContact O-N 3.28Å; E224-L228 WeakPolarHBondContact O-CB 3.49Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.29Å; E224-L228 PolarHBondContact O-N 2.89Å
225	R	92	Very high	89.1	Confident	124 Å²	124	55 Å²	55	47%	0.468	28%	0.276	S	S	.	.	H	α-helix	trans	-59.7	-45	175	-75	-174.4	-61.8	-94	7.6	111.7	D218 P221 C223 W229	D218-R225 IonicContact OD2-CZ 2.88Å; D218-R225 VanDerWaalsContact OD2-CZ 3.23Å; D218-R225 IonicContact OD2-NH1 2.99Å; D218-R225 PolarHBondContact OD2-NH1 2.85Å; D218-R225 IonicContact OD2-NH2 3.99Å; D218-R225 PolarHBondContact OD2-NH2 3.48Å; P221-R225 WeakPolarHBondContact O-CG 3.39Å; P221-R225 PolarHBondContact O-N 2.96Å; C223-R225 PolarHBondContact O-N 3.15Å; R225-W229 VanDerWaalsContact O-CB 3.29Å; R225-W229 WeakPolarHBondContact O-CB 3.28Å; R225-W229 PolarHBondContact O-N 3.32Å
226	T	89.5	Confident	88.4	Confident	52 Å²	52	61.3 Å²	61.3	32%	0.319	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-43.4	178.4	-60.5	0	0	0	0	111.2	S222 C223 E224 R230	S222-T226 WeakPolarHBondContact O-CB 3.26Å; S222-T226 PolarHBondContact O-N 2.92Å; S222-T226 PolarHBondContact O-OG1 2.82Å; C223-T226 PolarHBondContact O-N 3.33Å; E224-T226 VanDerWaalsContact C-N 3.34Å; E224-T226 PolarHBondContact O-N 3.05Å; T226-R230 WeakPolarHBondContact O-CG 3.36Å; T226-R230 PolarHBondContact O-N 2.66Å
227	F	92.2	Very high	88.6	Confident	6 Å²	6	60.6 Å²	60.6	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-59.7	-54.9	175.8	163.1	-110.2	0	0	0	111.8	Y32 L35 V111 P112 V114 L120 C223 E224 W229 R230 Y231	Y32-F227 HydrophobicContact CD1-CD1 4.37Å; Y32-F227 AromaticContact CD1-CE1 3.56Å; Y32-F227 HydrophobicContact CD1-CE1 3.56Å; Y32-F227 HydrophobicContact CD1-CZ 4.42Å; Y32-F227 HydrophobicContact CD2-CE1 4.19Å; Y32-F227 HydrophobicContact CE1-CD1 4.27Å; Y32-F227 AromaticContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE1-CE1 3.87Å; Y32-F227 HydrophobicContact CE2-CD1 4.48Å; Y32-F227 HydrophobicContact CE2-CE1 4.46Å; Y32-F227 HydrophobicContact CG-CD1 4.48Å; Y32-F227 AromaticContact CG-CE1 3.7Å; Y32-F227 HydrophobicContact CG-CE1 3.7Å; Y32-F227 HydrophobicContact CG-CZ 4.32Å; L35-F227 HydrophobicContact CD1-CE1 3.9Å; L35-F227 HydrophobicContact CD1-CZ 3.78Å; V111-F227 HydrophobicContact CG1-CB 3.52Å; V111-F227 HydrophobicContact CG1-CD1 4.12Å; V111-F227 HydrophobicContact CG1-CG 3.86Å; P112-F227 HydrophobicContact CB-CD2 4.24Å; P112-F227 HydrophobicContact CB-CE2 3.83Å; P112-F227 HydrophobicContact CB-CZ 4.18Å; P112-F227 HydrophobicContact CG-CE2 4.44Å; P112-F227 HydrophobicContact CG-CZ 4.32Å; P112-F227 WeakPolarHBondContact O-CD2 3.4Å; V114-F227 HydrophobicContact CG2-CD2 3.74Å; V114-F227 HydrophobicContact CG2-CE2 3.64Å; L120-F227 HydrophobicContact CD2-CE2 3.67Å; L120-F227 HydrophobicContact CD2-CZ 4.2Å; C223-F227 WeakPolarHBondContact O-CB 3.13Å; C223-F227 PolarHBondContact O-N 3.22Å; E224-F227 PolarHBondContact O-N 3.28Å; F227-W229 VanDerWaalsContact C-N 3.28Å; F227-W229 PolarHBondContact O-N 3.09Å; F227-R230 PolarHBondContact O-N 3.11Å; F227-R230 VanDerWaalsContact O-N 3.15Å; F227-Y231 WeakPolarHBondContact O-CB 3.44Å; F227-Y231 PolarHBondContact O-N 3.32Å
228	L	92.5	Very high	88.8	Confident	80 Å²	80	53.9 Å²	53.9	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-61.6	-37.9	-178.7	-70.8	172.4	0	0	0	111.8	Y32 E224 Y231 S232	Y32-L228 HydrophobicContact CE1-CD2 4.1Å; E224-L228 WeakPolarHBondContact O-CB 3.49Å; E224-L228 VanDerWaalsContact O-CG 3.3Å; E224-L228 WeakPolarHBondContact O-CG 3.29Å; E224-L228 PolarHBondContact O-N 2.89Å; L228-Y231 PolarHBondContact O-N 2.92Å; L228-S232 WeakPolarHBondContact O-CB 3.41Å; L228-S232 PolarHBondContact O-N 3.42Å; L228-S232 PolarHBondContact O-OG 3.18Å
229	W	89.8	Confident	88.7	Confident	54 Å²	54	54 Å²	54	21%	0.205	27%	0.274	C	S	.	.	H	α-helix	trans	-62.7	-50.6	173.4	176.7	80.2	0	0	0	111.5	R168 F170 R225 F227 Y231 S232 L233	R168-W229 HydrophobicContact CB-CH2 3.85Å; R168-W229 HydrophobicContact CB-CZ2 4.3Å; R168-W229 VanDerWaalsContact CD-CH2 3.49Å; R168-W229 HydrophobicContact CG-CH2 3.71Å; R168-W229 HydrophobicContact CG-CZ2 3.63Å; F170-W229 HydrophobicContact CE1-CZ3 4.41Å; F170-W229 HydrophobicContact CE2-CH2 4.27Å; F170-W229 HydrophobicContact CE2-CZ3 4.12Å; F170-W229 HydrophobicContact CZ-CE3 4.33Å; F170-W229 AromaticContact CZ-CH2 3.88Å; F170-W229 HydrophobicContact CZ-CH2 3.88Å; F170-W229 AromaticContact CZ-CZ3 3.42Å; F170-W229 HydrophobicContact CZ-CZ3 3.42Å; F170-W229 VanDerWaalsContact CZ-CZ3 3.42Å; R225-W229 VanDerWaalsContact O-CB 3.29Å; R225-W229 WeakPolarHBondContact O-CB 3.28Å; R225-W229 PolarHBondContact O-N 3.32Å; F227-W229 VanDerWaalsContact C-N 3.28Å; F227-W229 PolarHBondContact O-N 3.09Å; W229-Y231 VanDerWaalsContact C-N 3.27Å; W229-Y231 PolarHBondContact O-N 3.27Å; W229-S232 PolarHBondContact O-N 2.71Å; W229-S232 PolarHBondContact O-OG 2.8Å; W229-L233 HydrophobicContact CD2-CD1 4Å; W229-L233 HydrophobicContact CE3-CD1 4.03Å; W229-L233 HydrophobicContact CH2-CD1 3.27Å; W229-L233 HydrophobicContact CZ2-CD1 3.25Å; W229-L233 HydrophobicContact CZ2-CG 4.35Å; W229-L233 HydrophobicContact CZ3-CD1 3.64Å; W229-L233 PolarHBondContact O-N 2.86Å
230	R	89	Confident	88.6	Confident	22 Å²	22	55.5 Å²	55.5	8%	0.083	28%	0.282	C	S	.	.	H	α-helix	trans	-58.8	-40.2	176.1	-75.3	179.5	171.3	-111.8	-11	111.9	Y113 V114 F170 T226 F227 L233 S234	Y113-R230 PolarHBondContact OH-NH1 3Å; V114-R230 HydrophobicContact CB-CB 4.06Å; V114-R230 HydrophobicContact CG2-CB 3.99Å; F170-R230 VanDerWaalsContact CD2-NH2 3.29Å; T226-R230 WeakPolarHBondContact O-CG 3.36Å; T226-R230 PolarHBondContact O-N 2.66Å; F227-R230 PolarHBondContact O-N 3.11Å; F227-R230 VanDerWaalsContact O-N 3.15Å; R230-L233 PolarHBondContact O-N 3.26Å; R230-S234 PolarHBondContact O-N 3.34Å; R230-S234 VanDerWaalsContact O-N 3.11Å
231	Y	89.9	Confident	88.5	Confident	34 Å²	34	57.2 Å²	57.2	13%	0.133	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-44.6	-180	-177.9	-107.5	0	0	0	111.2	L35 V114 L120 F227 L228 W229 L233 S234 K235	L35-Y231 HydrophobicContact CB-CE1 4.23Å; L35-Y231 HydrophobicContact CB-CE2 4.18Å; L35-Y231 HydrophobicContact CD1-CD1 4.29Å; L35-Y231 HydrophobicContact CD1-CE1 4.22Å; L35-Y231 HydrophobicContact CD2-CE1 4.18Å; L35-Y231 HydrophobicContact CG-CE1 4.46Å; L35-Y231 PolarHBondContact O-OH 3.34Å; V114-Y231 HydrophobicContact CG2-CD2 4.35Å; L120-Y231 HydrophobicContact CD1-CD2 4.5Å; L120-Y231 HydrophobicContact CD1-CE2 4.27Å; L120-Y231 HydrophobicContact CD2-CD2 4.01Å; L120-Y231 HydrophobicContact CD2-CE2 4.44Å; F227-Y231 WeakPolarHBondContact O-CB 3.44Å; F227-Y231 PolarHBondContact O-N 3.32Å; L228-Y231 PolarHBondContact O-N 2.92Å; W229-Y231 VanDerWaalsContact C-N 3.27Å; W229-Y231 PolarHBondContact O-N 3.27Å; Y231-L233 VanDerWaalsContact C-N 3.27Å; Y231-L233 PolarHBondContact O-N 3.31Å; Y231-S234 PolarHBondContact O-N 3.35Å; Y231-S234 VanDerWaalsContact O-N 3.09Å; Y231-S234 PolarHBondContact O-OG 3.04Å; Y231-K235 VanDerWaalsContact CZ-CE 3.48Å; Y231-K235 WeakPolarHBondContact OH-CE 3.39Å
232	S	89	Confident	88.2	Confident	63 Å²	63	57.8 Å²	57.8	44%	0.441	29%	0.289	S	S	.	.	H	α-helix	trans	-58.7	-38.1	175.7	71.6	0	0	0	0	112.8	L228 W229 K235	L228-S232 WeakPolarHBondContact O-CB 3.41Å; L228-S232 PolarHBondContact O-N 3.42Å; L228-S232 PolarHBondContact O-OG 3.18Å; W229-S232 PolarHBondContact O-N 2.71Å; W229-S232 PolarHBondContact O-OG 2.8Å; S232-K235 PolarHBondContact O-N 3.18Å
233	L	85.8	Confident	88	Confident	47 Å²	47	60.9 Å²	60.9	25%	0.246	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-31.6	175.9	-69.7	178.4	0	0	0	113.6	W229 R230 Y231 K235 L236	W229-L233 HydrophobicContact CD2-CD1 4Å; W229-L233 HydrophobicContact CE3-CD1 4.03Å; W229-L233 HydrophobicContact CH2-CD1 3.27Å; W229-L233 HydrophobicContact CZ2-CD1 3.25Å; W229-L233 HydrophobicContact CZ2-CG 4.35Å; W229-L233 HydrophobicContact CZ3-CD1 3.64Å; W229-L233 PolarHBondContact O-N 2.86Å; R230-L233 PolarHBondContact O-N 3.26Å; Y231-L233 VanDerWaalsContact C-N 3.27Å; Y231-L233 PolarHBondContact O-N 3.31Å; L233-K235 PolarHBondContact O-N 2.66Å; L233-L236 HydrophobicContact CD2-CD1 3.98Å; L233-L236 PolarHBondContact O-N 2.86Å
234	S	82.9	Confident	87.6	Confident	25 Å²	25	64.6 Å²	64.6	18%	0.175	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.1	176.6	71.7	0	0	0	0	113.8	R230 Y231	R230-S234 PolarHBondContact O-N 3.34Å; R230-S234 VanDerWaalsContact O-N 3.11Å; Y231-S234 PolarHBondContact O-N 3.35Å; Y231-S234 VanDerWaalsContact O-N 3.09Å; Y231-S234 PolarHBondContact O-OG 3.04Å
235	K	80.3	Confident	87.1	Confident	107 Å²	107	67.6 Å²	67.6	47%	0.465	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.5	178.3	-62.2	-56.2	-177	-170.3	0	113.7	D118 Y231 S232 L233	D118-K235 IonicContact OD2-NZ 3.48Å; D118-K235 PolarHBondContact OD2-NZ 3.08Å; Y231-K235 VanDerWaalsContact CZ-CE 3.48Å; Y231-K235 WeakPolarHBondContact OH-CE 3.39Å; S232-K235 PolarHBondContact O-N 3.18Å; L233-K235 PolarHBondContact O-N 2.66Å
236	L	72.2	Confident	86.7	Confident	197 Å²	197	62.5 Å²	62.5	100%	1.031	32%	0.322	S	S	*	.			trans	-91.5	0	173.2	-64.4	174.4	0	0	0	110.2	L233	L233-L236 HydrophobicContact CD2-CD1 3.98Å; L233-L236 PolarHBondContact O-N 2.86Å

Retrieved 236 of 236 residues in 933.8 ms (Link to these results)

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