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Serine/arginine-rich splicing factor 2

Necessary for the splicing of pre-mRNA. It is required for formation of the earliest ATP-dependent splicing complex and interacts with spliceosomal components bound to both the 5'- and 3'-splice sites during spliceosome assembly. It also is required for ATP-dependent interactions of both U1 and U2 snRNPs with pre-mRNA. Interacts with other spliceosomal components, via the RS domains, to form a bridge between the 5'- and 3'-splice site binding components, U1 snRNP and U2AF. Binds to purine-rich RNA sequences, either 5'-AGSAGAGTA-3' (S=C or G) or 5'-GTTCGAGTA-3'. Can bind to beta-globin mRNA and commit it to the splicing pathway. The phosphorylated form (by SRPK2) is required for cellular apoptosis in response to cisplatin treatment (By similarity).

AlphaFold DB , UniProt , Accession Q3MHR5, Species BOVIN (Bos taurus, Bovine), Gene SRSF2, Length 221 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	54.7	Low	207 Å²	207	125.8 Å²	125.8	100%	1.02	67%	0.671	S	S	*	*				0	133.8	0	-67.3	66.1	-177.9	0	0	107.8
2	S	44.9	Very low	56.3	Low	124 Å²	124	120.8 Å²	120.8	87%	0.867	67%	0.671	S	S	*	*			trans	-87.6	104.7	171.3	-164	0	0	0	0	107.8	G4	S2-G4 PolarHBondContact O-N 3.11Å
3	Y	47.6	Very low	58.2	Low	157 Å²	157	112.5 Å²	112.5	62%	0.616	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-69.6	120.4	166.9	-63.8	-75.4	0	0	0	106.8
4	G	54.1	Low	60.3	Low	62 Å²	62	106.6 Å²	106.6	64%	0.639	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.7	151.6	-178.3	0	0	0	0	0	111.4	S2	S2-G4 PolarHBondContact O-N 3.11Å
5	R	58.3	Low	62.2	Low	243 Å²	243	100.8 Å²	100.8	92%	0.917	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-55.6	136.3	163.8	-74.1	-179.8	171.5	-126.9	2.5	107.4
6	P	55.6	Low	64	Low	75 Å²	75	94.5 Å²	94.5	49%	0.487	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-56	141.1	170.2	26	-33.8	0	0	0	108.7	V10	P6-V10 HydrophobicContact CB-CG1 4.3Å
7	P	56.3	Low	65.7	Low	26 Å²	26	92.5 Å²	92.5	17%	0.169	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-57.7	142.6	173.5	25.7	-34	0	0	0	109.2	D9 V10 M13 D42	P7-D9 VanDerWaalsContact C-N 3.33Å; P7-D9 PolarHBondContact O-N 3.24Å; P7-V10 WeakPolarHBondContact O-CG1 3.43Å; P7-M13 HydrophobicContact CB-CE 3.86Å; P7-M13 HydrophobicContact CB-SD 4.46Å; P7-M13 HydrophobicContact CG-CE 4.02Å; P7-M13 HydrophobicContact CG-SD 3.96Å; P7-D42 HydrophobicContact CG-CB 4.42Å
8	P	59.5	Low	67.1	Low	117 Å²	117	87.3 Å²	87.3	76%	0.76	48%	0.483	S	S	*	.	S	Bend	trans	-61.9	-36.3	-165.6	18.5	-29	0	0	0	114.1	V10	P8-V10 VanDerWaalsContact C-N 3.27Å; P8-V10 PolarHBondContact O-N 3.3Å
9	D	60.2	Low	68.3	Low	112 Å²	112	85.5 Å²	85.5	60%	0.599	47%	0.472	S	S	*	.			trans	-84.9	57.7	-173.4	-56.5	-91.1	0	0	0	113.2	P7 E11 M13	P7-D9 VanDerWaalsContact C-N 3.33Å; P7-D9 PolarHBondContact O-N 3.24Å; D9-E11 PolarHBondContact O-N 2.81Å; D9-E11 VanDerWaalsContact O-N 3.11Å; D9-M13 HydrophobicContact CB-CE 3.94Å; D9-M13 WeakPolarHBondContact O-CG 3.49Å
10	V	62.9	Low	69.4	Low	64 Å²	64	84.7 Å²	84.7	39%	0.388	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-1.2	-176.1	-58.6	0	0	0	0	115.3	P6 P7 P8 R61	P6-V10 HydrophobicContact CB-CG1 4.3Å; P7-V10 WeakPolarHBondContact O-CG1 3.43Å; P8-V10 VanDerWaalsContact C-N 3.27Å; P8-V10 PolarHBondContact O-N 3.3Å; V10-R61 PolarHBondContact O-NH2 3.02Å
11	E	64.9	Low	70.3	Confident	197 Å²	197	80.8 Å²	80.8	92%	0.921	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-25.7	-174.4	-63.2	-175.5	92.2	0	0	113.5	D9	D9-E11 PolarHBondContact O-N 2.81Å; D9-E11 VanDerWaalsContact O-N 3.11Å
12	G	73.4	Confident	72.5	Confident	65 Å²	65	71.7 Å²	71.7	67%	0.67	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-18	177.6	0	0	0	0	0	115.4
13	M	81.4	Confident	74.2	Confident	14 Å²	14	71.9 Å²	71.9	7%	0.069	39%	0.385	C	S	.	.			trans	-85.5	122.2	-171.4	-69.5	-175.6	-159.3	0	0	113.5	P7 D9 R61 F62 H63	P7-M13 HydrophobicContact CB-CE 3.86Å; P7-M13 HydrophobicContact CB-SD 4.46Å; P7-M13 HydrophobicContact CG-CE 4.02Å; P7-M13 HydrophobicContact CG-SD 3.96Å; D9-M13 HydrophobicContact CB-CE 3.94Å; D9-M13 WeakPolarHBondContact O-CG 3.49Å; M13-R61 HydrophobicContact CB-CG 3.98Å; M13-R61 PolarHBondContact O-NE 2.71Å; M13-R61 PolarHBondContact O-NH2 3.07Å; M13-R61 HydrophobicContact SD-CG 4.24Å; M13-F62 CarbonylContact C-O 3.57Å; M13-F62 WeakPolarHBondContact CA-O 3.48Å; M13-F62 VanDerWaalsContact CB-O 3.26Å; M13-F62 WeakPolarHBondContact CB-O 3.4Å; M13-H63 VanDerWaalsContact CE-CE1 3.4Å; M13-H63 WeakPolarHBondContact CE-CE1 3.34Å
14	T	87.5	Confident	75.9	Confident	29 Å²	29	74.2 Å²	74.2	18%	0.178	39%	0.392	C	S	.	.			trans	-70.4	143.6	176.5	-59.7	0	0	0	0	111.4	F62 K65 A68	T14-F62 PolarHBondContact N-O 3.27Å; T14-F62 PolarHBondContact O-N 2.79Å; T14-K65 WeakPolarHBondContact OG1-CA 3.23Å; T14-K65 WeakPolarHBondContact OG1-CB 3.12Å; T14-A68 HydrophobicContact CG2-CB 3.53Å
15	S	89	Confident	77.2	Confident	20 Å²	20	71.6 Å²	71.6	14%	0.14	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.6	-179.6	-57.2	0	0	0	0	110.4	R61 A90	S15-R61 PolarHBondContact OG-NE 2.76Å; S15-A90 VanDerWaalsContact O-CB 3.3Å; S15-A90 WeakPolarHBondContact O-CB 3.22Å; S15-A90 PolarHBondContact O-N 2.84Å
16	L	91.2	Very high	78.5	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.9	171.1	-59.1	-177.3	0	0	0	109.9	F34 F59 V60 F62 A68 A71 M72 V87 Q88	L16-F34 HydrophobicContact CD1-CD1 4.46Å; L16-F34 HydrophobicContact CD1-CE1 4.14Å; L16-F59 CarbonylContact O-C 3.45Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.11Å; L16-V60 PolarHBondContact N-O 2.68Å; L16-V60 PolarHBondContact O-N 2.75Å; L16-F62 HydrophobicContact CD1-CD2 4.21Å; L16-F62 HydrophobicContact CD1-CE2 3.8Å; L16-F62 HydrophobicContact CG-CD2 4.41Å; L16-F62 HydrophobicContact CG-CE2 4.44Å; L16-A68 HydrophobicContact CD1-CB 4.38Å; L16-A68 WeakPolarHBondContact CD1-O 3.46Å; L16-A68 HydrophobicContact CD2-CB 4.09Å; L16-A68 WeakPolarHBondContact CD2-O 3.26Å; L16-A68 HydrophobicContact CG-CB 4.15Å; L16-A71 HydrophobicContact CD1-CB 4.25Å; L16-M72 HydrophobicContact CD1-CB 4.29Å; L16-M72 HydrophobicContact CD2-CB 4.17Å; L16-V87 HydrophobicContact CB-CG1 4.13Å; L16-V87 HydrophobicContact CD1-CG1 3.82Å; L16-V87 HydrophobicContact CG-CG1 4.42Å; L16-Q88 CarbonylContact C-O 3.5Å; L16-Q88 WeakPolarHBondContact CA-O 3.4Å
17	K	91.7	Very high	80.1	Confident	60 Å²	60	60.9 Å²	60.9	26%	0.261	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	125.7	165.8	-176.5	-161.2	172.2	-144.8	0	107.4	D19 A58 F59 V87 Q88 A90	K17-D19 WeakPolarHBondContact CE-OD2 3.19Å; K17-D19 IonicContact NZ-OD2 3.26Å; K17-D19 PolarHBondContact NZ-OD2 2.95Å; K17-A58 WeakPolarHBondContact CA-O 3.24Å; K17-F59 HydrophobicContact CB-CD1 4.03Å; K17-F59 HydrophobicContact CB-CE1 3.89Å; K17-F59 HydrophobicContact CG-CD1 4.26Å; K17-F59 HydrophobicContact CG-CE1 3.83Å; K17-F59 HydrophobicContact CG-CZ 4.44Å; K17-V87 WeakPolarHBondContact O-CA 3.39Å; K17-Q88 PolarHBondContact N-O 3.11Å; K17-Q88 PolarHBondContact O-N 2.7Å; K17-A90 HydrophobicContact CB-CB 4.19Å
18	V	91.5	Very high	81.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127	173.4	-173.6	0	0	0	0	107.6	L21 L30 F34 F57 A58 V60 L85 R86 V87	V18-L21 HydrophobicContact CB-CD1 4.26Å; V18-L21 HydrophobicContact CG1-CD1 4.03Å; V18-L21 HydrophobicContact CG1-CD2 3.98Å; V18-L21 HydrophobicContact CG1-CG 4.01Å; V18-L30 HydrophobicContact CG1-CD2 4.47Å; V18-F34 HydrophobicContact CG1-CZ 4.49Å; V18-F34 HydrophobicContact CG2-CE1 4.31Å; V18-F34 HydrophobicContact CG2-CE2 3.79Å; V18-F34 HydrophobicContact CG2-CZ 3.49Å; V18-F34 VanDerWaalsContact CG2-CZ 3.49Å; V18-F57 CarbonylContact O-C 3.52Å; V18-F57 WeakPolarHBondContact O-CA 3.25Å; V18-F57 VanDerWaalsContact O-CB 3.24Å; V18-F57 WeakPolarHBondContact O-CB 3.35Å; V18-A58 PolarHBondContact N-O 3.23Å; V18-A58 PolarHBondContact O-N 3.04Å; V18-V60 HydrophobicContact CG2-CG2 4.02Å; V18-L85 HydrophobicContact CG1-CD1 4.46Å; V18-L85 HydrophobicContact CG1-CD2 4.43Å; V18-R86 CarbonylContact C-O 3.52Å; V18-R86 WeakPolarHBondContact CA-O 3.46Å; V18-V87 HydrophobicContact CG1-CG2 4.36Å; V18-V87 HydrophobicContact CG2-CG1 4.43Å; V18-V87 HydrophobicContact CG2-CG2 4.41Å
19	D	90.9	Very high	83	Confident	52 Å²	52	62 Å²	62	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	173.6	-177	-144.2	-59.1	0	0	0	111.5	K17 L21 G56 F57 R86	K17-D19 WeakPolarHBondContact CE-OD2 3.19Å; K17-D19 IonicContact NZ-OD2 3.26Å; K17-D19 PolarHBondContact NZ-OD2 2.95Å; D19-L21 PolarHBondContact O-N 2.99Å; D19-G56 CarbonylContact C-O 3.54Å; D19-F57 HydrophobicContact CB-CB 4.37Å; D19-R86 HydrophobicContact CB-CB 4.42Å; D19-R86 PolarHBondContact N-O 2.97Å; D19-R86 PolarHBondContact O-N 3.11Å
20	N	89.4	Confident	84.4	Confident	69 Å²	69	56.7 Å²	56.7	37%	0.369	30%	0.299	S	S	.	.	S	Bend	trans	55.8	26.9	-171.6	-162.8	30.7	0	0	0	115.4	G56 R83 E84	N20-G56 PolarHBondContact N-O 3.04Å; N20-G56 VanDerWaalsContact N-O 3.12Å; N20-R83 WeakPolarHBondContact O-CB 3.46Å; N20-R83 VanDerWaalsContact O-CD 3.31Å; N20-R83 WeakPolarHBondContact O-CD 3.44Å; N20-E84 WeakPolarHBondContact CB-O 3.3Å; N20-E84 PolarHBondContact ND2-O 3.48Å
21	L	87.5	Confident	85.8	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	30%	0.304	C	S	.	.			trans	-65.9	145.6	176.8	-71	165.3	0	0	0	112	V18 D19 T25 L30 G56 A58 L80 R83 L85	V18-L21 HydrophobicContact CB-CD1 4.26Å; V18-L21 HydrophobicContact CG1-CD1 4.03Å; V18-L21 HydrophobicContact CG1-CD2 3.98Å; V18-L21 HydrophobicContact CG1-CG 4.01Å; D19-L21 PolarHBondContact O-N 2.99Å; L21-T25 HydrophobicContact CD2-CG2 4.14Å; L21-L30 HydrophobicContact CD1-CD1 4.14Å; L21-L30 HydrophobicContact CD1-CD2 4.3Å; L21-L30 HydrophobicContact CD2-CD2 3.81Å; L21-G56 WeakPolarHBondContact CB-O 3.38Å; L21-G56 PolarHBondContact N-O 3.46Å; L21-A58 HydrophobicContact CD1-CB 3.53Å; L21-L80 HydrophobicContact CD2-CD2 4.28Å; L21-R83 PolarHBondContact O-NH1 2.72Å; L21-R83 VanDerWaalsContact O-NH1 3.1Å; L21-L85 HydrophobicContact CD2-CD2 3.45Å; L21-L85 VanDerWaalsContact CD2-CD2 3.45Å; L21-L85 HydrophobicContact CG-CD2 4.16Å
22	T	83.8	Confident	87	Confident	15 Å²	15	59.8 Å²	59.8	9%	0.092	30%	0.295	C	S	.	.			trans	-61.8	146.5	162.9	178	0	0	0	0	110.5	R24 T25 D81	T22-R24 HydrophobicContact CG2-CB 4.22Å; T22-R24 PolarHBondContact O-N 2.67Å; T22-R24 VanDerWaalsContact O-N 3.12Å; T22-R24 PolarHBondContact OG1-N 2.62Å; T22-T25 WeakPolarHBondContact CG2-OG1 3.45Å; T22-T25 PolarHBondContact O-N 3.27Å; T22-T25 VanDerWaalsContact O-N 3.15Å; T22-T25 PolarHBondContact O-OG1 2.71Å; T22-D81 WeakPolarHBondContact CB-OD1 3.32Å; T22-D81 HydrophobicContact CG2-CB 3.39Å; T22-D81 VanDerWaalsContact CG2-OD1 3.22Å; T22-D81 WeakPolarHBondContact CG2-OD1 3.21Å; T22-D81 PolarHBondContact OG1-OD1 3.26Å
23	Y	82.5	Confident	87.8	Confident	128 Å²	128	58.4 Å²	58.4	50%	0.502	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-23.2	175.7	-60.7	-64.6	0	0	0	112.8	S54	Y23-S54 WeakPolarHBondContact CD1-O 3.32Å; Y23-S54 VanDerWaalsContact CE1-O 3.31Å; Y23-S54 WeakPolarHBondContact CE1-O 3.48Å; Y23-S54 PolarHBondContact O-OG 2.94Å
24	R	81.8	Confident	88.3	Confident	206 Å²	206	57.7 Å²	57.7	78%	0.777	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-14.3	179.6	-64.8	177.2	173.2	178.2	-2.6	114.3	T22 S26	T22-R24 HydrophobicContact CG2-CB 4.22Å; T22-R24 PolarHBondContact O-N 2.67Å; T22-R24 VanDerWaalsContact O-N 3.12Å; T22-R24 PolarHBondContact OG1-N 2.62Å; R24-S26 PolarHBondContact O-N 2.88Å
25	T	82.9	Confident	88.4	Confident	7 Å²	7	60.3 Å²	60.3	4%	0.043	28%	0.281	C	S	.	.			trans	-64	126.1	-175.3	-61.2	0	0	0	0	111.3	L21 T22 L30	L21-T25 HydrophobicContact CD2-CG2 4.14Å; T22-T25 WeakPolarHBondContact CG2-OG1 3.45Å; T22-T25 PolarHBondContact O-N 3.27Å; T22-T25 VanDerWaalsContact O-N 3.15Å; T22-T25 PolarHBondContact O-OG1 2.71Å; T25-L30 HydrophobicContact CG2-CD1 4.17Å; T25-L30 HydrophobicContact CG2-CD2 3.94Å; T25-L30 HydrophobicContact CG2-CG 3.63Å
26	S	84.8	Confident	88.5	Confident	49 Å²	49	65.9 Å²	65.9	34%	0.343	30%	0.302	S	S	.	.			trans	-92.4	151.1	172.1	-68.4	0	0	0	0	111	R24 D28 T29 L30	R24-S26 PolarHBondContact O-N 2.88Å; S26-D28 PolarHBondContact O-N 3.22Å; S26-T29 WeakPolarHBondContact O-CB 3.38Å; S26-T29 PolarHBondContact O-N 2.88Å; S26-L30 PolarHBondContact O-N 2.88Å
27	P	88	Confident	88.5	Confident	45 Å²	45	68 Å²	68	29%	0.292	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-29.7	178.5	26.6	-33.4	0	0	0	111.6	L30 R31 V43 I45	P27-L30 PolarHBondContact O-N 3.44Å; P27-R31 WeakPolarHBondContact O-CB 3.48Å; P27-R31 PolarHBondContact O-N 3.32Å; P27-V43 HydrophobicContact CB-CB 4.33Å; P27-V43 HydrophobicContact CB-CG1 3.76Å; P27-I45 HydrophobicContact CB-CD1 4.1Å; P27-I45 HydrophobicContact CB-CG1 4.3Å
28	D	89.3	Confident	88.4	Confident	105 Å²	105	66 Å²	66	56%	0.561	31%	0.307	S	S	*	.	H	α-helix	trans	-64	-36.7	173.3	-50.7	-97.4	0	0	0	112.6	S26 R32	S26-D28 PolarHBondContact O-N 3.22Å; D28-R32 WeakPolarHBondContact O-CG 3.33Å; D28-R32 PolarHBondContact O-N 3.24Å
29	T	89.4	Confident	88.3	Confident	61 Å²	61	73.8 Å²	73.8	37%	0.374	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-49.1	174.5	-46.9	0	0	0	0	110.2	S26 R31 R32 V33	S26-T29 WeakPolarHBondContact O-CB 3.38Å; S26-T29 PolarHBondContact O-N 2.88Å; T29-R31 PolarHBondContact O-N 2.97Å; T29-R32 PolarHBondContact O-N 3.04Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 2.98Å
30	L	89.6	Confident	88.3	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-58.1	-48.8	174.7	-69.2	173.2	0	0	0	110.7	V18 L21 T25 S26 P27 R32 V33 F34 V43 I45 A58 V60	V18-L30 HydrophobicContact CG1-CD2 4.47Å; L21-L30 HydrophobicContact CD1-CD1 4.14Å; L21-L30 HydrophobicContact CD1-CD2 4.3Å; L21-L30 HydrophobicContact CD2-CD2 3.81Å; T25-L30 HydrophobicContact CG2-CD1 4.17Å; T25-L30 HydrophobicContact CG2-CD2 3.94Å; T25-L30 HydrophobicContact CG2-CG 3.63Å; S26-L30 PolarHBondContact O-N 2.88Å; P27-L30 PolarHBondContact O-N 3.44Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 3.2Å; L30-V33 PolarHBondContact O-N 2.85Å; L30-V33 VanDerWaalsContact O-N 3.11Å; L30-F34 HydrophobicContact CD2-CD2 4.49Å; L30-F34 HydrophobicContact CD2-CE2 4.13Å; L30-F34 WeakPolarHBondContact O-CB 3.07Å; L30-F34 WeakPolarHBondContact O-CD2 3.2Å; L30-F34 PolarHBondContact O-N 3.03Å; L30-V43 HydrophobicContact CB-CG1 4.11Å; L30-V43 HydrophobicContact CD1-CG1 4.15Å; L30-I45 HydrophobicContact CD1-CD1 3.96Å; L30-I45 HydrophobicContact CD1-CG1 4.14Å; L30-A58 HydrophobicContact CD1-CB 3.38Å; L30-V60 HydrophobicContact CB-CG2 4.37Å
31	R	91.1	Very high	88.2	Confident	128 Å²	128	70.3 Å²	70.3	48%	0.483	33%	0.325	S	S	.	.	H	α-helix	trans	-53.3	-52.4	178.6	-175.2	-179.1	162.1	-156.1	-13.1	110.8	P27 T29 V33 F34 E35 V40 V43	P27-R31 WeakPolarHBondContact O-CB 3.48Å; P27-R31 PolarHBondContact O-N 3.32Å; T29-R31 PolarHBondContact O-N 2.97Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 2.98Å; R31-F34 PolarHBondContact O-N 3.03Å; R31-E35 IonicContact CZ-OE2 3.49Å; R31-E35 IonicContact NE-OE1 3.68Å; R31-E35 IonicContact NE-OE2 3.69Å; R31-E35 PolarHBondContact NE-OE2 3.15Å; R31-E35 IonicContact NH2-OE1 2.67Å; R31-E35 IonicContact NH2-OE2 2.62Å; R31-E35 PolarHBondContact NH2-OE2 3.16Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 PolarHBondContact O-N 2.91Å; R31-V40 HydrophobicContact CG-CG1 4.34Å; R31-V43 HydrophobicContact CB-CG2 4.1Å
32	R	91	Very high	88.1	Confident	197 Å²	197	72.7 Å²	72.7	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-59.3	-38.5	178.9	-70.8	174.2	-174.8	-168.9	1.9	113.4	D28 T29 L30	D28-R32 WeakPolarHBondContact O-CG 3.33Å; D28-R32 PolarHBondContact O-N 3.24Å; T29-R32 PolarHBondContact O-N 3.04Å; L30-R32 VanDerWaalsContact C-N 3.35Å; L30-R32 PolarHBondContact O-N 3.2Å
33	V	90.2	Very high	88.3	Confident	36 Å²	36	73.2 Å²	73.2	22%	0.218	34%	0.341	C	S	.	.	H	α-helix	trans	-71.9	-35	-179.9	170.4	0	0	0	0	112.2	T29 L30 R31 K36 M75	T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 2.98Å; L30-V33 PolarHBondContact O-N 2.85Å; L30-V33 VanDerWaalsContact O-N 3.11Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 2.98Å; V33-K36 WeakPolarHBondContact O-CD 3.24Å; V33-K36 VanDerWaalsContact O-CE 3.25Å; V33-K36 WeakPolarHBondContact O-CE 3.44Å; V33-K36 WeakPolarHBondContact O-CG 3.18Å; V33-M75 HydrophobicContact CG1-CE 3.42Å; V33-M75 VanDerWaalsContact CG1-CE 3.42Å; V33-M75 HydrophobicContact CG1-SD 3.77Å
34	F	90.4	Very high	88.5	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-90.7	-26	-178.7	-80.3	-88.4	0	0	0	113.6	L16 V18 L30 R31 K36 Y37 V40 V60 F62 A71 M75 V87	L16-F34 HydrophobicContact CD1-CD1 4.46Å; L16-F34 HydrophobicContact CD1-CE1 4.14Å; V18-F34 HydrophobicContact CG1-CZ 4.49Å; V18-F34 HydrophobicContact CG2-CE1 4.31Å; V18-F34 HydrophobicContact CG2-CE2 3.79Å; V18-F34 HydrophobicContact CG2-CZ 3.49Å; V18-F34 VanDerWaalsContact CG2-CZ 3.49Å; L30-F34 HydrophobicContact CD2-CD2 4.49Å; L30-F34 HydrophobicContact CD2-CE2 4.13Å; L30-F34 WeakPolarHBondContact O-CB 3.07Å; L30-F34 WeakPolarHBondContact O-CD2 3.2Å; L30-F34 PolarHBondContact O-N 3.03Å; R31-F34 PolarHBondContact O-N 3.03Å; F34-K36 PolarHBondContact O-N 3.13Å; F34-Y37 PolarHBondContact O-N 3.13Å; F34-V40 HydrophobicContact CB-CG2 3.95Å; F34-V60 HydrophobicContact CB-CG1 3.86Å; F34-V60 HydrophobicContact CD1-CG1 4.23Å; F34-V60 HydrophobicContact CD2-CG1 4.49Å; F34-V60 HydrophobicContact CD2-CG2 4Å; F34-V60 HydrophobicContact CE2-CG2 4.26Å; F34-V60 HydrophobicContact CG-CB 4.47Å; F34-V60 HydrophobicContact CG-CG1 3.93Å; F34-V60 HydrophobicContact CG-CG2 4.24Å; F34-F62 HydrophobicContact CB-CE2 4.39Å; F34-F62 HydrophobicContact CB-CZ 3.87Å; F34-F62 AromaticContact CD1-CE2 3.92Å; F34-F62 HydrophobicContact CD1-CE2 3.92Å; F34-F62 AromaticContact CD1-CZ 3.9Å; F34-F62 HydrophobicContact CD1-CZ 3.9Å; F34-F62 HydrophobicContact CG-CZ 4.38Å; F34-A71 HydrophobicContact CD1-CB 3.97Å; F34-A71 HydrophobicContact CE1-CB 4.34Å; F34-A71 WeakPolarHBondContact CE1-O 3.03Å; F34-M75 HydrophobicContact CE1-CB 4.32Å; F34-M75 HydrophobicContact CE1-CG 4.08Å; F34-M75 HydrophobicContact CZ-CB 4.23Å; F34-M75 HydrophobicContact CZ-CG 4.16Å; F34-V87 HydrophobicContact CE1-CG1 4.23Å; F34-V87 HydrophobicContact CZ-CG1 4.39Å; F34-V87 HydrophobicContact CZ-CG2 4.07Å
35	E	91.3	Very high	88.8	Confident	84 Å²	84	60.6 Å²	60.6	39%	0.393	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-14	178.7	-175.8	165.7	85.2	0	0	113.4	R31 V40	R31-E35 IonicContact CZ-OE2 3.49Å; R31-E35 IonicContact NE-OE1 3.68Å; R31-E35 IonicContact NE-OE2 3.69Å; R31-E35 PolarHBondContact NE-OE2 3.15Å; R31-E35 IonicContact NH2-OE1 2.67Å; R31-E35 IonicContact NH2-OE2 2.62Å; R31-E35 PolarHBondContact NH2-OE2 3.16Å; R31-E35 WeakPolarHBondContact O-CB 3.42Å; R31-E35 PolarHBondContact O-N 2.91Å; E35-V40 HydrophobicContact CB-CG2 4.35Å
36	K	91.3	Very high	88.7	Confident	136 Å²	136	61 Å²	61	59%	0.591	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.2	173.3	78.5	-172.2	179.2	170.8	0	114	V33 F34	V33-K36 WeakPolarHBondContact O-CD 3.24Å; V33-K36 VanDerWaalsContact O-CE 3.25Å; V33-K36 WeakPolarHBondContact O-CE 3.44Å; V33-K36 WeakPolarHBondContact O-CG 3.18Å; F34-K36 PolarHBondContact O-N 3.13Å
37	Y	90.8	Very high	88.6	Confident	45 Å²	45	64.2 Å²	64.2	18%	0.176	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-23.3	179.2	-60	-73.2	0	0	0	112.8	F34 D70 A71 A74 M75	F34-Y37 PolarHBondContact O-N 3.13Å; Y37-D70 WeakPolarHBondContact CD1-OD1 3.17Å; Y37-A71 HydrophobicContact CD1-CB 4.49Å; Y37-A71 HydrophobicContact CD2-CB 3.46Å; Y37-A71 VanDerWaalsContact CD2-CB 3.46Å; Y37-A71 HydrophobicContact CE2-CB 4.2Å; Y37-A71 HydrophobicContact CG-CB 3.63Å; Y37-A74 HydrophobicContact CE1-CB 3.47Å; Y37-A74 VanDerWaalsContact CE1-CB 3.47Å; Y37-A74 WeakPolarHBondContact OH-CB 3.36Å; Y37-A74 PolarHBondContact OH-O 3.2Å; Y37-M75 HydrophobicContact CD2-CG 4.44Å; Y37-M75 HydrophobicContact CE2-CG 3.37Å; Y37-M75 HydrophobicContact CE2-SD 3.74Å; Y37-M75 WeakPolarHBondContact OH-CG 3.4Å; Y37-M75 PolarHBondContact OH-SD 3.25Å
38	G	89.6	Confident	88.2	Confident	18 Å²	18	64.7 Å²	64.7	19%	0.186	30%	0.302	C	S	.	.	S	Bend	trans	164.8	-171.5	-175.5	0	0	0	0	0	114.7	V40 D67	G38-V40 PolarHBondContact O-N 3.1Å; G38-V40 VanDerWaalsContact O-N 3.09Å; G38-D67 WeakPolarHBondContact CA-OD2 3.24Å
39	R	89.5	Confident	87.3	Confident	163 Å²	163	68 Å²	68	62%	0.615	31%	0.307	S	S	*	.			trans	-84.4	94.8	-163.5	-164.7	174.4	-172.6	-99.9	-0.3	112.7	G41 F62 H63 D67	R39-G41 PolarHBondContact O-N 2.87Å; R39-F62 WeakPolarHBondContact O-CA 3.42Å; R39-H63 HydrophobicContact CB-CB 4.37Å; R39-H63 PolarHBondContact NH1-CD2 3.31Å; R39-H63 VanDerWaalsContact NH1-CD2 3.31Å; R39-H63 PolarHBondContact NH1-CE1 3.23Å; R39-H63 PolarHBondContact NH1-NE2 2.97Å; R39-H63 PolarHBondContact O-CD2 3.28Å; R39-H63 PolarHBondContact O-N 2.95Å; R39-D67 PolarHBondContact N-OD2 2.79Å
40	V	90.1	Very high	86.4	Confident	19 Å²	19	75 Å²	75	12%	0.115	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	124.4	171.6	-178.5	0	0	0	0	110.8	R31 F34 E35 G38 V43 V60 R61 F62	R31-V40 HydrophobicContact CG-CG1 4.34Å; F34-V40 HydrophobicContact CB-CG2 3.95Å; E35-V40 HydrophobicContact CB-CG2 4.35Å; G38-V40 PolarHBondContact O-N 3.1Å; G38-V40 VanDerWaalsContact O-N 3.09Å; V40-V43 HydrophobicContact CG1-CG2 3.62Å; V40-V60 HydrophobicContact CG1-CG1 4.02Å; V40-V60 HydrophobicContact CG2-CG1 4.11Å; V40-R61 CarbonylContact C-O 3.58Å; V40-R61 WeakPolarHBondContact CA-O 3.41Å; V40-F62 HydrophobicContact CG2-CD1 4.33Å; V40-F62 HydrophobicContact CG2-CE1 3.83Å; V40-F62 HydrophobicContact CG2-CZ 3.95Å
41	G	87.1	Confident	85.7	Confident	29 Å²	29	78.8 Å²	78.8	30%	0.299	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-25	179.5	0	0	0	0	0	115.3	R39 R61	R39-G41 PolarHBondContact O-N 2.87Å; G41-R61 PolarHBondContact N-O 2.84Å
42	D	85.8	Confident	84.7	Confident	54 Å²	54	80.6 Å²	80.6	29%	0.289	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	152	175.1	-172.9	24.6	0	0	0	110.8	P7 R61	P7-D42 HydrophobicContact CG-CB 4.42Å; D42-R61 HydrophobicContact CB-CB 3.97Å; D42-R61 WeakPolarHBondContact O-CB 3.35Å; D42-R61 PolarHBondContact O-N 3.33Å
43	V	88.8	Confident	83.7	Confident	27 Å²	27	76 Å²	76	16%	0.164	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	116.1	173.6	-178.5	0	0	0	0	109.6	P27 L30 R31 V40 F59 V60	P27-V43 HydrophobicContact CB-CB 4.33Å; P27-V43 HydrophobicContact CB-CG1 3.76Å; L30-V43 HydrophobicContact CB-CG1 4.11Å; L30-V43 HydrophobicContact CD1-CG1 4.15Å; R31-V43 HydrophobicContact CB-CG2 4.1Å; V40-V43 HydrophobicContact CG1-CG2 3.62Å; V43-F59 WeakPolarHBondContact CA-O 3.32Å; V43-V60 HydrophobicContact CG1-CG2 4.42Å; V43-V60 HydrophobicContact CG2-CG1 4.42Å
44	Y	85.4	Confident	82.9	Confident	52 Å²	52	74.7 Å²	74.7	20%	0.204	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115	-175.3	177.5	-121.1	0	0	0	111.2	P46 F59 R94	Y44-P46 HydrophobicContact CD1-CG 4.22Å; Y44-P46 HydrophobicContact CE1-CG 3.81Å; Y44-P46 WeakPolarHBondContact O-CD 3.15Å; Y44-F59 HydrophobicContact CD1-CD2 4.05Å; Y44-F59 PolarHBondContact N-O 3.49Å; Y44-F59 PolarHBondContact O-N 2.59Å; Y44-R94 HydrophobicContact CD1-CG 3.97Å; Y44-R94 HydrophobicContact CE1-CG 4.14Å
45	I	87.8	Confident	82.3	Confident	17 Å²	17	82.3 Å²	82.3	9%	0.087	37%	0.37	C	S	.	.			trans	-101.1	111.3	172.7	-53.2	-175.2	0	0	0	109	P27 L30 R47 A58	P27-I45 HydrophobicContact CB-CD1 4.1Å; P27-I45 HydrophobicContact CB-CG1 4.3Å; L30-I45 HydrophobicContact CD1-CD1 3.96Å; L30-I45 HydrophobicContact CD1-CG1 4.14Å; I45-R47 HydrophobicContact CG2-CG 4.3Å; I45-R47 PolarHBondContact O-N 3.3Å; I45-A58 HydrophobicContact CB-CB 4.5Å; I45-A58 HydrophobicContact CG1-CB 3.84Å
46	P	81.6	Confident	82	Confident	16 Å²	16	78.9 Å²	78.9	10%	0.104	36%	0.357	C	S	.	.			trans	-65.9	114	168.2	-19.7	34.1	0	0	0	110.3	Y44 R55 F57 F59	Y44-P46 HydrophobicContact CD1-CG 4.22Å; Y44-P46 HydrophobicContact CE1-CG 3.81Å; Y44-P46 WeakPolarHBondContact O-CD 3.15Å; P46-R55 WeakPolarHBondContact O-CG 3.41Å; P46-R55 PolarHBondContact O-N 3.43Å; P46-R55 VanDerWaalsContact O-N 3.15Å; P46-F57 HydrophobicContact CB-CE2 4.24Å; P46-F57 HydrophobicContact CB-CZ 4.36Å; P46-F57 HydrophobicContact CG-CD2 4.22Å; P46-F57 HydrophobicContact CG-CE2 3.7Å; P46-F57 HydrophobicContact CG-CZ 4.31Å; P46-F59 HydrophobicContact CG-CD2 4.08Å; P46-F59 HydrophobicContact CG-CE2 3.85Å
47	R	82.6	Confident	81.9	Confident	116 Å²	116	74.2 Å²	74.2	44%	0.438	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-102	145.4	169.1	-59	-164.2	166.5	158.7	1.9	109.6	I45 E53 S54	I45-R47 HydrophobicContact CG2-CG 4.3Å; I45-R47 PolarHBondContact O-N 3.3Å; R47-E53 CarbonylContact C-O 3.57Å; R47-E53 VanDerWaalsContact CA-O 3.22Å; R47-E53 WeakPolarHBondContact CA-O 3.24Å; R47-S54 PolarHBondContact NE-OG 3.48Å; R47-S54 VanDerWaalsContact NE-OG 3.11Å
48	D	79.1	Confident	81.9	Confident	54 Å²	54	72.1 Å²	72.1	29%	0.289	33%	0.328	S	S	.	.			trans	-64.7	151.2	173	-175.2	-102.5	0	0	0	111	Y50 T51 K52 E53	D48-Y50 WeakPolarHBondContact OD1-CA 3.45Å; D48-Y50 WeakPolarHBondContact OD1-CB 3.01Å; D48-Y50 PolarHBondContact OD1-N 2.91Å; D48-T51 PolarHBondContact OD1-N 2.99Å; D48-K52 VanDerWaalsContact O-CA 3.24Å; D48-K52 WeakPolarHBondContact O-CA 3.31Å; D48-K52 PolarHBondContact O-N 3.09Å; D48-E53 PolarHBondContact N-O 2.76Å
49	R	69.9	Low	81.9	Confident	176 Å²	176	73.3 Å²	73.3	66%	0.664	33%	0.329	S	S	*	.	S	Bend	trans	-88.7	-16.9	-173.2	-45.3	-166	85.1	-144.4	7.6	113.2	H99	R49-H99 VanDerWaalsContact CZ-CE1 3.42Å; R49-H99 VanDerWaalsContact CZ-NE2 3.31Å; R49-H99 PolarHBondContact NH1-CE1 2.83Å; R49-H99 VanDerWaalsContact NH1-CE1 3.28Å; R49-H99 PolarHBondContact NH2-CD2 2.86Å; R49-H99 PolarHBondContact NH2-CE1 3.39Å; R49-H99 VanDerWaalsContact NH2-CE1 3.27Å; R49-H99 PolarHBondContact NH2-NE2 3.02Å
50	Y	71.3	Confident	82	Confident	208 Å²	208	65.6 Å²	65.6	82%	0.816	30%	0.3	S	S	*	.	S	Bend	trans	-101.9	-54.4	-179.3	-56	-85.4	0	0	0	110.4	D48	D48-Y50 WeakPolarHBondContact OD1-CA 3.45Å; D48-Y50 WeakPolarHBondContact OD1-CB 3.01Å; D48-Y50 PolarHBondContact OD1-N 2.91Å
51	T	74.7	Confident	81.9	Confident	80 Å²	80	66.2 Å²	66.2	49%	0.491	30%	0.3	S	S	.	.	S	Bend	trans	-81.6	-18.5	-179.7	79.3	0	0	0	0	113.5	D48 E53	D48-T51 PolarHBondContact OD1-N 2.99Å; T51-E53 WeakPolarHBondContact CB-OE2 3.47Å; T51-E53 PolarHBondContact O-N 2.81Å; T51-E53 WeakPolarHBondContact OG1-CB 3.43Å; T51-E53 WeakPolarHBondContact OG1-CG 3.46Å; T51-E53 PolarHBondContact OG1-N 2.94Å; T51-E53 PolarHBondContact OG1-OE2 2.98Å
52	K	69.7	Low	82.1	Confident	166 Å²	166	64.9 Å²	64.9	72%	0.722	29%	0.286	S	S	*	.			trans	65.5	1.8	-172.6	-55.1	172.7	-176	164.7	0	115.1	D48	D48-K52 VanDerWaalsContact O-CA 3.24Å; D48-K52 WeakPolarHBondContact O-CA 3.31Å; D48-K52 PolarHBondContact O-N 3.09Å
53	E	69.8	Low	82.2	Confident	101 Å²	101	65.2 Å²	65.2	47%	0.472	29%	0.286	S	S	.	.			trans	-71.1	146.8	-179.4	-64.9	166.2	110.8	0	0	111.6	R47 D48 T51	R47-E53 CarbonylContact C-O 3.57Å; R47-E53 VanDerWaalsContact CA-O 3.22Å; R47-E53 WeakPolarHBondContact CA-O 3.24Å; D48-E53 PolarHBondContact N-O 2.76Å; T51-E53 WeakPolarHBondContact CB-OE2 3.47Å; T51-E53 PolarHBondContact O-N 2.81Å; T51-E53 WeakPolarHBondContact OG1-CB 3.43Å; T51-E53 WeakPolarHBondContact OG1-CG 3.46Å; T51-E53 PolarHBondContact OG1-N 2.94Å; T51-E53 PolarHBondContact OG1-OE2 2.98Å
54	S	73.6	Confident	82.2	Confident	8 Å²	8	66.9 Å²	66.9	6%	0.056	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-65	130.9	167.9	-54.3	0	0	0	0	109.1	Y23 R47 G56	Y23-S54 WeakPolarHBondContact CD1-O 3.32Å; Y23-S54 VanDerWaalsContact CE1-O 3.31Å; Y23-S54 WeakPolarHBondContact CE1-O 3.48Å; Y23-S54 PolarHBondContact O-OG 2.94Å; R47-S54 PolarHBondContact NE-OG 3.48Å; R47-S54 VanDerWaalsContact NE-OG 3.11Å; S54-G56 PolarHBondContact O-N 2.78Å
55	R	78.6	Confident	82.4	Confident	160 Å²	160	69.7 Å²	69.7	60%	0.604	31%	0.307	S	S	*	.			trans	-73.7	22.4	-172.7	-63.7	-172.1	69.9	-168.8	1	115.2	P46 F57	P46-R55 WeakPolarHBondContact O-CG 3.41Å; P46-R55 PolarHBondContact O-N 3.43Å; P46-R55 VanDerWaalsContact O-N 3.15Å; R55-F57 HydrophobicContact CB-CD1 3.86Å; R55-F57 HydrophobicContact CB-CE1 3.54Å; R55-F57 HydrophobicContact CB-CZ 4.31Å; R55-F57 WeakPolarHBondContact O-CD1 3.2Å; R55-F57 PolarHBondContact O-N 3.39Å
56	G	85.5	Confident	82.6	Confident	11 Å²	11	77.3 Å²	77.3	11%	0.113	33%	0.334	C	S	.	.	S	Bend	trans	74.1	-3.6	-171.5	0	0	0	0	0	114.9	D19 N20 L21 S54	D19-G56 CarbonylContact C-O 3.54Å; N20-G56 PolarHBondContact N-O 3.04Å; N20-G56 VanDerWaalsContact N-O 3.12Å; L21-G56 WeakPolarHBondContact CB-O 3.38Å; L21-G56 PolarHBondContact N-O 3.46Å; S54-G56 PolarHBondContact O-N 2.78Å
57	F	89.4	Confident	83.1	Confident	39 Å²	39	78.1 Å²	78.1	17%	0.171	34%	0.338	C	S	.	.			trans	-137.3	160.3	-179.4	69.6	-89.9	0	0	0	113.9	V18 D19 P46 R55 F59	V18-F57 CarbonylContact O-C 3.52Å; V18-F57 WeakPolarHBondContact O-CA 3.25Å; V18-F57 VanDerWaalsContact O-CB 3.24Å; V18-F57 WeakPolarHBondContact O-CB 3.35Å; D19-F57 HydrophobicContact CB-CB 4.37Å; P46-F57 HydrophobicContact CB-CE2 4.24Å; P46-F57 HydrophobicContact CB-CZ 4.36Å; P46-F57 HydrophobicContact CG-CD2 4.22Å; P46-F57 HydrophobicContact CG-CE2 3.7Å; P46-F57 HydrophobicContact CG-CZ 4.31Å; R55-F57 HydrophobicContact CB-CD1 3.86Å; R55-F57 HydrophobicContact CB-CE1 3.54Å; R55-F57 HydrophobicContact CB-CZ 4.31Å; R55-F57 WeakPolarHBondContact O-CD1 3.2Å; R55-F57 PolarHBondContact O-N 3.39Å; F57-F59 HydrophobicContact CD2-CE2 4.06Å; F57-F59 HydrophobicContact CD2-CZ 4.25Å; F57-F59 AromaticContact CE2-CE2 3.78Å; F57-F59 HydrophobicContact CE2-CE2 3.78Å; F57-F59 HydrophobicContact CE2-CZ 4.03Å
58	A	89.8	Confident	83.5	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	167.1	179.3	0	0	0	0	0	110.8	K17 V18 L21 L30 I45	K17-A58 WeakPolarHBondContact CA-O 3.24Å; V18-A58 PolarHBondContact N-O 3.23Å; V18-A58 PolarHBondContact O-N 3.04Å; L21-A58 HydrophobicContact CD1-CB 3.53Å; L30-A58 HydrophobicContact CD1-CB 3.38Å; I45-A58 HydrophobicContact CB-CB 4.5Å; I45-A58 HydrophobicContact CG1-CB 3.84Å
59	F	90.1	Very high	84.1	Confident	44 Å²	44	73.2 Å²	73.2	19%	0.193	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.7	169	-61.2	-81.1	0	0	0	109.7	L16 K17 V43 Y44 P46 F57 A90	L16-F59 CarbonylContact O-C 3.45Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.11Å; K17-F59 HydrophobicContact CB-CD1 4.03Å; K17-F59 HydrophobicContact CB-CE1 3.89Å; K17-F59 HydrophobicContact CG-CD1 4.26Å; K17-F59 HydrophobicContact CG-CE1 3.83Å; K17-F59 HydrophobicContact CG-CZ 4.44Å; V43-F59 WeakPolarHBondContact CA-O 3.32Å; Y44-F59 HydrophobicContact CD1-CD2 4.05Å; Y44-F59 PolarHBondContact N-O 3.49Å; Y44-F59 PolarHBondContact O-N 2.59Å; P46-F59 HydrophobicContact CG-CD2 4.08Å; P46-F59 HydrophobicContact CG-CE2 3.85Å; F57-F59 HydrophobicContact CD2-CE2 4.06Å; F57-F59 HydrophobicContact CD2-CZ 4.25Å; F57-F59 AromaticContact CE2-CE2 3.78Å; F57-F59 HydrophobicContact CE2-CE2 3.78Å; F57-F59 HydrophobicContact CE2-CZ 4.03Å; F59-A90 HydrophobicContact CD1-CB 3.93Å; F59-A90 HydrophobicContact CE1-CB 4.05Å
60	V	90.6	Very high	85.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.4	174.7	179.2	0	0	0	0	107.4	L16 V18 L30 F34 V40 V43 F62	L16-V60 PolarHBondContact N-O 2.68Å; L16-V60 PolarHBondContact O-N 2.75Å; V18-V60 HydrophobicContact CG2-CG2 4.02Å; L30-V60 HydrophobicContact CB-CG2 4.37Å; F34-V60 HydrophobicContact CB-CG1 3.86Å; F34-V60 HydrophobicContact CD1-CG1 4.23Å; F34-V60 HydrophobicContact CD2-CG1 4.49Å; F34-V60 HydrophobicContact CD2-CG2 4Å; F34-V60 HydrophobicContact CE2-CG2 4.26Å; F34-V60 HydrophobicContact CG-CB 4.47Å; F34-V60 HydrophobicContact CG-CG1 3.93Å; F34-V60 HydrophobicContact CG-CG2 4.24Å; V40-V60 HydrophobicContact CG1-CG1 4.02Å; V40-V60 HydrophobicContact CG2-CG1 4.11Å; V43-V60 HydrophobicContact CG1-CG2 4.42Å; V43-V60 HydrophobicContact CG2-CG1 4.42Å; V60-F62 HydrophobicContact CG1-CD2 4.25Å; V60-F62 HydrophobicContact CG1-CE2 3.74Å; V60-F62 HydrophobicContact CG1-CZ 4.37Å
61	R	89.1	Confident	86.2	Confident	33 Å²	33	59.5 Å²	59.5	13%	0.125	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.9	-175.4	-171.7	165.2	-148.5	173.5	5.4	110.9	V10 M13 S15 V40 G41 D42	V10-R61 PolarHBondContact O-NH2 3.02Å; M13-R61 HydrophobicContact CB-CG 3.98Å; M13-R61 PolarHBondContact O-NE 2.71Å; M13-R61 PolarHBondContact O-NH2 3.07Å; M13-R61 HydrophobicContact SD-CG 4.24Å; S15-R61 PolarHBondContact OG-NE 2.76Å; V40-R61 CarbonylContact C-O 3.58Å; V40-R61 WeakPolarHBondContact CA-O 3.41Å; G41-R61 PolarHBondContact N-O 2.84Å; D42-R61 HydrophobicContact CB-CB 3.97Å; D42-R61 WeakPolarHBondContact O-CB 3.35Å; D42-R61 PolarHBondContact O-N 3.33Å
62	F	90.8	Very high	87.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.9	177.7	-76.6	-92.1	0	0	0	111.4	M13 T14 L16 F34 R39 V40 V60 D64 D67 A68 A71	M13-F62 CarbonylContact C-O 3.57Å; M13-F62 WeakPolarHBondContact CA-O 3.48Å; M13-F62 VanDerWaalsContact CB-O 3.26Å; M13-F62 WeakPolarHBondContact CB-O 3.4Å; T14-F62 PolarHBondContact N-O 3.27Å; T14-F62 PolarHBondContact O-N 2.79Å; L16-F62 HydrophobicContact CD1-CD2 4.21Å; L16-F62 HydrophobicContact CD1-CE2 3.8Å; L16-F62 HydrophobicContact CG-CD2 4.41Å; L16-F62 HydrophobicContact CG-CE2 4.44Å; F34-F62 HydrophobicContact CB-CE2 4.39Å; F34-F62 HydrophobicContact CB-CZ 3.87Å; F34-F62 AromaticContact CD1-CE2 3.92Å; F34-F62 HydrophobicContact CD1-CE2 3.92Å; F34-F62 AromaticContact CD1-CZ 3.9Å; F34-F62 HydrophobicContact CD1-CZ 3.9Å; F34-F62 HydrophobicContact CG-CZ 4.38Å; R39-F62 WeakPolarHBondContact O-CA 3.42Å; V40-F62 HydrophobicContact CG2-CD1 4.33Å; V40-F62 HydrophobicContact CG2-CE1 3.83Å; V40-F62 HydrophobicContact CG2-CZ 3.95Å; V60-F62 HydrophobicContact CG1-CD2 4.25Å; V60-F62 HydrophobicContact CG1-CE2 3.74Å; V60-F62 HydrophobicContact CG1-CZ 4.37Å; F62-D64 WeakPolarHBondContact CB-O 3.34Å; F62-D67 HydrophobicContact CB-CB 4.5Å; F62-D67 HydrophobicContact CD1-CB 3.61Å; F62-D67 HydrophobicContact CE1-CB 4.13Å; F62-D67 HydrophobicContact CG-CB 4.29Å; F62-A68 HydrophobicContact CB-CB 4.01Å; F62-A68 HydrophobicContact CD2-CB 3.91Å; F62-A68 HydrophobicContact CG-CB 4.09Å; F62-A71 HydrophobicContact CE1-CB 4.36Å; F62-A71 HydrophobicContact CE2-CB 4Å; F62-A71 HydrophobicContact CZ-CB 3.6Å
63	H	88.2	Confident	88.2	Confident	62 Å²	62	56.6 Å²	56.6	29%	0.287	26%	0.261	S	S	.	.	S	Bend	trans	-70.2	-49.3	170.6	-83	-89.9	0	0	0	111.9	M13 R39	M13-H63 VanDerWaalsContact CE-CE1 3.4Å; M13-H63 WeakPolarHBondContact CE-CE1 3.34Å; R39-H63 HydrophobicContact CB-CB 4.37Å; R39-H63 PolarHBondContact NH1-CD2 3.31Å; R39-H63 VanDerWaalsContact NH1-CD2 3.31Å; R39-H63 PolarHBondContact NH1-CE1 3.23Å; R39-H63 PolarHBondContact NH1-NE2 2.97Å; R39-H63 PolarHBondContact O-CD2 3.28Å; R39-H63 PolarHBondContact O-N 2.95Å
64	D	88.9	Confident	89.2	Confident	62 Å²	62	54.1 Å²	54.1	33%	0.332	26%	0.258	S	S	.	.	S	Bend	trans	-93.8	151.3	179.6	-95.5	-107.2	0	0	0	112.1	F62 R66 D67	F62-D64 WeakPolarHBondContact CB-O 3.34Å; D64-R66 IonicContact OD1-CZ 3.64Å; D64-R66 IonicContact OD1-NE 3.84Å; D64-R66 PolarHBondContact OD1-NE 3.45Å; D64-R66 IonicContact OD1-NH2 3.49Å; D64-R66 PolarHBondContact OD1-NH2 2.88Å; D64-D67 HydrophobicContact CB-CB 4.15Å; D64-D67 WeakPolarHBondContact CB-OD1 3.34Å
65	K	89.7	Confident	90	Very high	110 Å²	110	54.1 Å²	54.1	48%	0.478	26%	0.257	S	S	.	.	H	α-helix	trans	-73.3	-34.8	171.5	-177.4	177.3	169.2	-75.4	0	112.1	T14 A68 E69	T14-K65 WeakPolarHBondContact OG1-CA 3.23Å; T14-K65 WeakPolarHBondContact OG1-CB 3.12Å; K65-A68 WeakPolarHBondContact O-CB 3.22Å; K65-A68 PolarHBondContact O-N 3.2Å; K65-E69 WeakPolarHBondContact CE-OE1 3.42Å; K65-E69 IonicContact NZ-OE1 3.41Å; K65-E69 PolarHBondContact NZ-OE1 3.2Å; K65-E69 IonicContact NZ-OE2 2.59Å; K65-E69 PolarHBondContact NZ-OE2 2.78Å; K65-E69 PolarHBondContact O-N 2.87Å
66	R	91.2	Very high	90.7	Very high	177 Å²	177	49.3 Å²	49.3	67%	0.668	24%	0.243	S	C	*	.	H	α-helix	trans	-64.4	-52.9	-178.2	-63.3	171.1	-68	167.5	2.3	111.1	D64 A68 E69 D70	D64-R66 IonicContact OD1-CZ 3.64Å; D64-R66 IonicContact OD1-NE 3.84Å; D64-R66 PolarHBondContact OD1-NE 3.45Å; D64-R66 IonicContact OD1-NH2 3.49Å; D64-R66 PolarHBondContact OD1-NH2 2.88Å; R66-A68 PolarHBondContact O-N 3.2Å; R66-A68 VanDerWaalsContact O-N 3.16Å; R66-E69 PolarHBondContact O-N 2.9Å; R66-D70 PolarHBondContact O-N 3.26Å
67	D	91.8	Very high	90.8	Very high	33 Å²	33	50.2 Å²	50.2	18%	0.176	25%	0.252	C	S	.	.	H	α-helix	trans	-48.4	-40.5	171.8	-58	26.2	0	0	0	112.1	G38 R39 F62 D64 A71	G38-D67 WeakPolarHBondContact CA-OD2 3.24Å; R39-D67 PolarHBondContact N-OD2 2.79Å; F62-D67 HydrophobicContact CB-CB 4.5Å; F62-D67 HydrophobicContact CD1-CB 3.61Å; F62-D67 HydrophobicContact CE1-CB 4.13Å; F62-D67 HydrophobicContact CG-CB 4.29Å; D64-D67 HydrophobicContact CB-CB 4.15Å; D64-D67 WeakPolarHBondContact CB-OD1 3.34Å; D67-A71 WeakPolarHBondContact O-CB 3.31Å; D67-A71 PolarHBondContact O-N 3.12Å
68	A	91.6	Very high	90.8	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-75.7	-29.8	-179.7	0	0	0	0	0	113.4	T14 L16 F62 K65 R66 M72	T14-A68 HydrophobicContact CG2-CB 3.53Å; L16-A68 HydrophobicContact CD1-CB 4.38Å; L16-A68 WeakPolarHBondContact CD1-O 3.46Å; L16-A68 HydrophobicContact CD2-CB 4.09Å; L16-A68 WeakPolarHBondContact CD2-O 3.26Å; L16-A68 HydrophobicContact CG-CB 4.15Å; F62-A68 HydrophobicContact CB-CB 4.01Å; F62-A68 HydrophobicContact CD2-CB 3.91Å; F62-A68 HydrophobicContact CG-CB 4.09Å; K65-A68 WeakPolarHBondContact O-CB 3.22Å; K65-A68 PolarHBondContact O-N 3.2Å; R66-A68 PolarHBondContact O-N 3.2Å; R66-A68 VanDerWaalsContact O-N 3.16Å; A68-M72 WeakPolarHBondContact O-CB 3.33Å; A68-M72 PolarHBondContact O-N 2.81Å; A68-M72 VanDerWaalsContact O-N 3.15Å
69	E	92.5	Very high	90.7	Very high	67 Å²	67	54.9 Å²	54.9	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-75.9	-44	176	-76.8	172	134.4	0	0	111.1	K65 R66 M72 D73 M89	K65-E69 WeakPolarHBondContact CE-OE1 3.42Å; K65-E69 IonicContact NZ-OE1 3.41Å; K65-E69 PolarHBondContact NZ-OE1 3.2Å; K65-E69 IonicContact NZ-OE2 2.59Å; K65-E69 PolarHBondContact NZ-OE2 2.78Å; K65-E69 PolarHBondContact O-N 2.87Å; R66-E69 PolarHBondContact O-N 2.9Å; E69-M72 WeakPolarHBondContact O-CB 3.33Å; E69-M72 PolarHBondContact O-N 2.81Å; E69-M72 VanDerWaalsContact O-N 3.13Å; E69-D73 PolarHBondContact O-N 3.28Å; E69-M89 HydrophobicContact CG-CE 3.54Å; E69-M89 VanDerWaalsContact OE1-CE 3.23Å; E69-M89 WeakPolarHBondContact OE1-CE 3.04Å
70	D	93	Very high	90.4	Very high	95 Å²	95	54.8 Å²	54.8	51%	0.508	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-47.4	173.5	-169.2	-95	0	0	0	111.4	Y37 R66 M72 D73 A74	Y37-D70 WeakPolarHBondContact CD1-OD1 3.17Å; R66-D70 PolarHBondContact O-N 3.26Å; D70-M72 PolarHBondContact O-N 2.82Å; D70-D73 PolarHBondContact O-N 2.82Å; D70-A74 WeakPolarHBondContact O-CB 3.38Å; D70-A74 PolarHBondContact O-N 3.48Å
71	A	92.3	Very high	90.1	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-70	-10.8	174.9	0	0	0	0	0	114.9	L16 F34 Y37 F62 D67 M75	L16-A71 HydrophobicContact CD1-CB 4.25Å; F34-A71 HydrophobicContact CD1-CB 3.97Å; F34-A71 HydrophobicContact CE1-CB 4.34Å; F34-A71 WeakPolarHBondContact CE1-O 3.03Å; Y37-A71 HydrophobicContact CD1-CB 4.49Å; Y37-A71 HydrophobicContact CD2-CB 3.46Å; Y37-A71 VanDerWaalsContact CD2-CB 3.46Å; Y37-A71 HydrophobicContact CE2-CB 4.2Å; Y37-A71 HydrophobicContact CG-CB 3.63Å; F62-A71 HydrophobicContact CE1-CB 4.36Å; F62-A71 HydrophobicContact CE2-CB 4Å; F62-A71 HydrophobicContact CZ-CB 3.6Å; D67-A71 WeakPolarHBondContact O-CB 3.31Å; D67-A71 PolarHBondContact O-N 3.12Å; A71-M75 WeakPolarHBondContact O-CB 3.44Å; A71-M75 WeakPolarHBondContact O-CG 3.36Å
72	M	93	Very high	89.9	Confident	47 Å²	47	61.2 Å²	61.2	23%	0.232	34%	0.342	C	S	.	.	H	α-helix	trans	-87.4	-51.7	173.5	178.9	-178.2	72.7	0	0	110	L16 A68 E69 D70 M75 D76 V87 M89	L16-M72 HydrophobicContact CD1-CB 4.29Å; L16-M72 HydrophobicContact CD2-CB 4.17Å; A68-M72 WeakPolarHBondContact O-CB 3.33Å; A68-M72 PolarHBondContact O-N 2.81Å; A68-M72 VanDerWaalsContact O-N 3.15Å; E69-M72 WeakPolarHBondContact O-CB 3.33Å; E69-M72 PolarHBondContact O-N 2.81Å; E69-M72 VanDerWaalsContact O-N 3.13Å; D70-M72 PolarHBondContact O-N 2.82Å; M72-M75 PolarHBondContact O-N 3.3Å; M72-D76 PolarHBondContact O-N 3.18Å; M72-V87 HydrophobicContact CB-CG1 4.14Å; M72-V87 HydrophobicContact CG-CB 4.29Å; M72-V87 HydrophobicContact CG-CG1 4.07Å; M72-V87 WeakPolarHBondContact CG-O 3.31Å; M72-M89 HydrophobicContact CE-CE 4.18Å; M72-M89 HydrophobicContact CE-CG 4.48Å; M72-M89 HydrophobicContact SD-CG 3.85Å
73	D	92.3	Very high	89.7	Confident	138 Å²	138	65.3 Å²	65.3	74%	0.738	36%	0.358	S	S	*	.	H	α-helix	trans	-59.3	-51.8	179.3	-168.3	-98.9	0	0	0	111.2	E69 D70 M75	E69-D73 PolarHBondContact O-N 3.28Å; D70-D73 PolarHBondContact O-N 2.82Å; D73-M75 PolarHBondContact O-N 3.36Å; D73-M75 VanDerWaalsContact O-N 3.12Å
74	A	91.6	Very high	89.8	Confident	50 Å²	50	67.1 Å²	67.1	41%	0.413	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	8	-175.8	0	0	0	0	0	115	Y37 D70	Y37-A74 HydrophobicContact CE1-CB 3.47Å; Y37-A74 VanDerWaalsContact CE1-CB 3.47Å; Y37-A74 WeakPolarHBondContact OH-CB 3.36Å; Y37-A74 PolarHBondContact OH-O 3.2Å; D70-A74 WeakPolarHBondContact O-CB 3.38Å; D70-A74 PolarHBondContact O-N 3.48Å
75	M	90.5	Very high	90	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.039	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-14.5	176.8	-70.9	-64.3	-49.8	0	0	114.8	V33 F34 Y37 A71 M72 D73 G77 A78 L85 V87	V33-M75 HydrophobicContact CG1-CE 3.42Å; V33-M75 VanDerWaalsContact CG1-CE 3.42Å; V33-M75 HydrophobicContact CG1-SD 3.77Å; F34-M75 HydrophobicContact CE1-CB 4.32Å; F34-M75 HydrophobicContact CE1-CG 4.08Å; F34-M75 HydrophobicContact CZ-CB 4.23Å; F34-M75 HydrophobicContact CZ-CG 4.16Å; Y37-M75 HydrophobicContact CD2-CG 4.44Å; Y37-M75 HydrophobicContact CE2-CG 3.37Å; Y37-M75 HydrophobicContact CE2-SD 3.74Å; Y37-M75 WeakPolarHBondContact OH-CG 3.4Å; Y37-M75 PolarHBondContact OH-SD 3.25Å; A71-M75 WeakPolarHBondContact O-CB 3.44Å; A71-M75 WeakPolarHBondContact O-CG 3.36Å; M72-M75 PolarHBondContact O-N 3.3Å; D73-M75 PolarHBondContact O-N 3.36Å; D73-M75 VanDerWaalsContact O-N 3.12Å; M75-G77 PolarHBondContact O-N 2.83Å; M75-A78 HydrophobicContact CE-CB 3.84Å; M75-A78 WeakPolarHBondContact O-CB 3.5Å; M75-A78 PolarHBondContact O-N 3.49Å; M75-A78 HydrophobicContact SD-CB 4.25Å; M75-L85 HydrophobicContact CE-CD1 3.65Å; M75-V87 HydrophobicContact CB-CG2 3.74Å
76	D	91.6	Very high	90.1	Very high	59 Å²	59	64.4 Å²	64.4	32%	0.316	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	130	168.9	-160	-92.1	0	0	0	109.2	M72 A78 R86 V87	M72-D76 PolarHBondContact O-N 3.18Å; D76-A78 PolarHBondContact O-N 3.02Å; D76-R86 VanDerWaalsContact OD1-CD 3.31Å; D76-R86 WeakPolarHBondContact OD1-CD 3.46Å; D76-R86 IonicContact OD1-CZ 3.92Å; D76-R86 IonicContact OD1-NE 3.17Å; D76-R86 IonicContact OD1-NH1 2.76Å; D76-R86 PolarHBondContact OD1-NH1 3.39Å; D76-R86 WeakPolarHBondContact OD2-CA 3.38Å; D76-R86 VanDerWaalsContact OD2-CD 3.24Å; D76-R86 WeakPolarHBondContact OD2-CD 3.4Å; D76-V87 PolarHBondContact OD2-N 3.21Å
77	G	89.1	Confident	90.2	Very high	29 Å²	29	56.1 Å²	56.1	30%	0.299	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-7.7	-170.8	0	0	0	0	0	115.2	M75 V79 L85	M75-G77 PolarHBondContact O-N 2.83Å; G77-V79 PolarHBondContact O-N 3.35Å; G77-L85 PolarHBondContact N-O 2.88Å
78	A	89.2	Confident	90.2	Very high	32 Å²	32	59.8 Å²	59.8	26%	0.264	33%	0.334	S	S	.	.			trans	-67.7	128.7	178.4	0	0	0	0	0	111.4	M75 D76 L85	M75-A78 HydrophobicContact CE-CB 3.84Å; M75-A78 WeakPolarHBondContact O-CB 3.5Å; M75-A78 PolarHBondContact O-N 3.49Å; M75-A78 HydrophobicContact SD-CB 4.25Å; D76-A78 PolarHBondContact O-N 3.02Å; A78-L85 WeakPolarHBondContact O-CB 3.47Å; A78-L85 WeakPolarHBondContact O-CG 3.44Å; A78-L85 PolarHBondContact O-N 2.78Å
79	V	88	Confident	90.1	Very high	105 Å²	105	64 Å²	64	64%	0.636	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.5	-176.6	-175.5	0	0	0	0	111.6	G77 R83 E84	G77-V79 PolarHBondContact O-N 3.35Å; V79-R83 CarbonylContact C-O 3.49Å; V79-R83 WeakPolarHBondContact CA-O 3.09Å; V79-E84 HydrophobicContact CG2-CG 4.2Å
80	L	83.9	Confident	89.7	Confident	43 Å²	43	61.8 Å²	61.8	23%	0.225	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	128.3	175.4	-172.7	75	0	0	0	110.3	L21 G82 R83 L85	L21-L80 HydrophobicContact CD2-CD2 4.28Å; L80-G82 PolarHBondContact O-N 3.35Å; L80-G82 VanDerWaalsContact O-N 3.16Å; L80-R83 PolarHBondContact N-O 3.27Å; L80-R83 PolarHBondContact O-N 3.34Å; L80-L85 HydrophobicContact CB-CD1 3.88Å; L80-L85 HydrophobicContact CB-CD2 4.06Å; L80-L85 HydrophobicContact CB-CG 3.94Å; L80-L85 HydrophobicContact CD2-CD1 4.05Å; L80-L85 HydrophobicContact CD2-CD2 4.34Å
81	D	82.6	Confident	88.7	Confident	95 Å²	95	68.2 Å²	68.2	51%	0.508	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	34.1	-178	-156.3	-132.4	0	0	0	113.2	T22	T22-D81 WeakPolarHBondContact CB-OD1 3.32Å; T22-D81 HydrophobicContact CG2-CB 3.39Å; T22-D81 VanDerWaalsContact CG2-OD1 3.22Å; T22-D81 WeakPolarHBondContact CG2-OD1 3.21Å; T22-D81 PolarHBondContact OG1-OD1 3.26Å
82	G	85	Confident	87.4	Confident	72 Å²	72	77.4 Å²	77.4	74%	0.742	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	15.2	-177.7	0	0	0	0	0	115.6	L80	L80-G82 PolarHBondContact O-N 3.35Å; L80-G82 VanDerWaalsContact O-N 3.16Å
83	R	87.2	Confident	85.9	Confident	87 Å²	87	77.5 Å²	77.5	33%	0.328	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	133.6	175.6	-66	-175.7	174.3	-173.1	-7.9	112.1	N20 L21 V79 L80 L85	N20-R83 WeakPolarHBondContact O-CB 3.46Å; N20-R83 VanDerWaalsContact O-CD 3.31Å; N20-R83 WeakPolarHBondContact O-CD 3.44Å; L21-R83 PolarHBondContact O-NH1 2.72Å; L21-R83 VanDerWaalsContact O-NH1 3.1Å; V79-R83 CarbonylContact C-O 3.49Å; V79-R83 WeakPolarHBondContact CA-O 3.09Å; L80-R83 PolarHBondContact N-O 3.27Å; L80-R83 PolarHBondContact O-N 3.34Å; R83-L85 PolarHBondContact O-N 3.32Å
84	E	91	Very high	84.4	Confident	99 Å²	99	74.6 Å²	74.6	46%	0.463	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	120.3	166.6	-67.6	168.8	74.3	0	0	110.1	N20 V79 R86	N20-E84 WeakPolarHBondContact CB-O 3.3Å; N20-E84 PolarHBondContact ND2-O 3.48Å; V79-E84 HydrophobicContact CG2-CG 4.2Å; E84-R86 IonicContact OE1-NH2 2.84Å; E84-R86 PolarHBondContact OE1-NH2 3.15Å
85	L	92	Very high	83	Confident	1 Å²	1	75.9 Å²	75.9	1%	0.005	40%	0.397	C	S	.	.			trans	-72.7	148.7	172.3	-60.6	-177.8	0	0	0	110.7	V18 L21 M75 G77 A78 L80 R83	V18-L85 HydrophobicContact CG1-CD1 4.46Å; V18-L85 HydrophobicContact CG1-CD2 4.43Å; L21-L85 HydrophobicContact CD2-CD2 3.45Å; L21-L85 VanDerWaalsContact CD2-CD2 3.45Å; L21-L85 HydrophobicContact CG-CD2 4.16Å; M75-L85 HydrophobicContact CE-CD1 3.65Å; G77-L85 PolarHBondContact N-O 2.88Å; A78-L85 WeakPolarHBondContact O-CB 3.47Å; A78-L85 WeakPolarHBondContact O-CG 3.44Å; A78-L85 PolarHBondContact O-N 2.78Å; L80-L85 HydrophobicContact CB-CD1 3.88Å; L80-L85 HydrophobicContact CB-CD2 4.06Å; L80-L85 HydrophobicContact CB-CG 3.94Å; L80-L85 HydrophobicContact CD2-CD1 4.05Å; L80-L85 HydrophobicContact CD2-CD2 4.34Å; R83-L85 PolarHBondContact O-N 3.32Å
86	R	92.1	Very high	81.4	Confident	114 Å²	114	80.8 Å²	80.8	43%	0.43	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.5	165.6	-66.3	-64.4	177.8	174.1	-7.6	110.3	V18 D19 D76 E84	V18-R86 CarbonylContact C-O 3.52Å; V18-R86 WeakPolarHBondContact CA-O 3.46Å; D19-R86 HydrophobicContact CB-CB 4.42Å; D19-R86 PolarHBondContact N-O 2.97Å; D19-R86 PolarHBondContact O-N 3.11Å; D76-R86 VanDerWaalsContact OD1-CD 3.31Å; D76-R86 WeakPolarHBondContact OD1-CD 3.46Å; D76-R86 IonicContact OD1-CZ 3.92Å; D76-R86 IonicContact OD1-NE 3.17Å; D76-R86 IonicContact OD1-NH1 2.76Å; D76-R86 PolarHBondContact OD1-NH1 3.39Å; D76-R86 WeakPolarHBondContact OD2-CA 3.38Å; D76-R86 VanDerWaalsContact OD2-CD 3.24Å; D76-R86 WeakPolarHBondContact OD2-CD 3.4Å; E84-R86 IonicContact OE1-NH2 2.84Å; E84-R86 PolarHBondContact OE1-NH2 3.15Å
87	V	93.5	Very high	79.7	Confident	4 Å²	4	79.8 Å²	79.8	2%	0.024	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.8	-174.9	-168.8	0	0	0	0	109.5	L16 K17 V18 F34 M72 M75 D76	L16-V87 HydrophobicContact CB-CG1 4.13Å; L16-V87 HydrophobicContact CD1-CG1 3.82Å; L16-V87 HydrophobicContact CG-CG1 4.42Å; K17-V87 WeakPolarHBondContact O-CA 3.39Å; V18-V87 HydrophobicContact CG1-CG2 4.36Å; V18-V87 HydrophobicContact CG2-CG1 4.43Å; V18-V87 HydrophobicContact CG2-CG2 4.41Å; F34-V87 HydrophobicContact CE1-CG1 4.23Å; F34-V87 HydrophobicContact CZ-CG1 4.39Å; F34-V87 HydrophobicContact CZ-CG2 4.07Å; M72-V87 HydrophobicContact CB-CG1 4.14Å; M72-V87 HydrophobicContact CG-CB 4.29Å; M72-V87 HydrophobicContact CG-CG1 4.07Å; M72-V87 WeakPolarHBondContact CG-O 3.31Å; M75-V87 HydrophobicContact CB-CG2 3.74Å; D76-V87 PolarHBondContact OD2-N 3.21Å
88	Q	92.2	Very high	78	Confident	110 Å²	110	82.5 Å²	82.5	51%	0.514	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	150.1	-174.3	-62.9	179.8	-3.6	0	0	110.6	L16 K17 A90	L16-Q88 CarbonylContact C-O 3.5Å; L16-Q88 WeakPolarHBondContact CA-O 3.4Å; K17-Q88 PolarHBondContact N-O 3.11Å; K17-Q88 PolarHBondContact O-N 2.7Å; Q88-A90 PolarHBondContact O-N 3.05Å
89	M	89.8	Confident	76.3	Confident	89 Å²	89	85.4 Å²	85.4	44%	0.438	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	122.5	169.6	-65.1	-173.7	-179.1	0	0	110.8	E69 M72 R91	E69-M89 HydrophobicContact CG-CE 3.54Å; E69-M89 VanDerWaalsContact OE1-CE 3.23Å; E69-M89 WeakPolarHBondContact OE1-CE 3.04Å; M72-M89 HydrophobicContact CE-CE 4.18Å; M72-M89 HydrophobicContact CE-CG 4.48Å; M72-M89 HydrophobicContact SD-CG 3.85Å; M89-R91 PolarHBondContact O-N 2.83Å
90	A	84.7	Confident	74.5	Confident	21 Å²	21	86.9 Å²	86.9	17%	0.174	45%	0.445	C	S	.	.			trans	-75.1	99.9	179.7	0	0	0	0	0	110.3	S15 K17 F59 Q88 Y92	S15-A90 VanDerWaalsContact O-CB 3.3Å; S15-A90 WeakPolarHBondContact O-CB 3.22Å; S15-A90 PolarHBondContact O-N 2.84Å; K17-A90 HydrophobicContact CB-CB 4.19Å; F59-A90 HydrophobicContact CD1-CB 3.93Å; F59-A90 HydrophobicContact CE1-CB 4.05Å; Q88-A90 PolarHBondContact O-N 3.05Å; A90-Y92 PolarHBondContact O-N 2.98Å
91	R	71.3	Confident	73	Confident	229 Å²	229	90.1 Å²	90.1	86%	0.864	47%	0.472	S	S	*	.	S	Bend	trans	-57.9	-12.1	174.7	-68.5	-175.3	174.1	-173.6	-1.8	114.8	M89	M89-R91 PolarHBondContact O-N 2.83Å
92	Y	64.5	Low	71.6	Confident	193 Å²	193	96.6 Å²	96.6	76%	0.757	49%	0.489	S	S	*	.	S	Bend	trans	-129.1	124.6	180	-52.3	-68.2	0	0	0	109.5	A90	A90-Y92 PolarHBondContact O-N 2.98Å
93	G	61.9	Low	70.1	Confident	49 Å²	49	103.2 Å²	103.2	51%	0.505	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-63.3	163.2	167.4	0	0	0	0	0	111.6	P95	G93-P95 VanDerWaalsContact O-N 3.13Å
94	R	61.7	Low	68.4	Low	77 Å²	77	101.3 Å²	101.3	29%	0.291	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-47.5	121.7	179.4	-178.3	177.5	-176.3	-93.1	-6.9	109.8	Y44 D97	Y44-R94 HydrophobicContact CD1-CG 3.97Å; Y44-R94 HydrophobicContact CE1-CG 4.14Å; R94-D97 IonicContact CZ-OD2 3.61Å; R94-D97 IonicContact NH1-OD2 3.86Å; R94-D97 IonicContact NH2-OD2 2.68Å; R94-D97 PolarHBondContact NH2-OD2 3.33Å
95	P	61.2	Low	66.8	Low	78 Å²	78	102.4 Å²	102.4	51%	0.506	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-57.9	137.7	-179	23.1	-33.2	0	0	0	109.5	G93 D97	G93-P95 VanDerWaalsContact O-N 3.13Å; P95-D97 PolarHBondContact O-N 3.12Å
96	P	56.7	Low	65.1	Low	110 Å²	110	107.7 Å²	107.7	71%	0.714	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-58.3	132	-175.3	24.1	-33.9	0	0	0	109.6	S98	P96-S98 PolarHBondContact O-N 2.82Å
97	D	55.7	Low	63.2	Low	39 Å²	39	108.2 Å²	108.2	21%	0.209	57%	0.567	C	S	.	*			trans	-66.9	101.6	-168.3	-162.6	-66.1	0	0	0	111.4	R94 P95 H99 H100	R94-D97 IonicContact CZ-OD2 3.61Å; R94-D97 IonicContact NH1-OD2 3.86Å; R94-D97 IonicContact NH2-OD2 2.68Å; R94-D97 PolarHBondContact NH2-OD2 3.33Å; P95-D97 PolarHBondContact O-N 3.12Å; D97-H99 PolarHBondContact O-N 2.86Å; D97-H99 WeakPolarHBondContact OD1-CB 3.1Å; D97-H99 IonicContact OD1-CD2 3.61Å; D97-H99 PolarHBondContact OD1-CD2 3.1Å; D97-H99 IonicContact OD1-CG 2.71Å; D97-H99 PolarHBondContact OD1-N 2.8Å; D97-H99 VanDerWaalsContact OD1-N 3.1Å; D97-H100 PolarHBondContact O-N 3.23Å; D97-H100 IonicContact OD1-CD2 2.71Å
98	S	54.5	Low	61.2	Low	85 Å²	85	119.5 Å²	119.5	59%	0.594	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-0.7	-176.1	-66.1	0	0	0	0	114.6	P96	P96-S98 PolarHBondContact O-N 2.82Å
99	H	52.6	Low	59.1	Low	94 Å²	94	126.3 Å²	126.3	44%	0.435	63%	0.63	S	S	.	*	T	Hydrogen-bonded Turn	trans	-100.2	-13	175.6	-51.4	-54.9	0	0	0	113	R49 D97	R49-H99 VanDerWaalsContact CZ-CE1 3.42Å; R49-H99 VanDerWaalsContact CZ-NE2 3.31Å; R49-H99 PolarHBondContact NH1-CE1 2.83Å; R49-H99 VanDerWaalsContact NH1-CE1 3.28Å; R49-H99 PolarHBondContact NH2-CD2 2.86Å; R49-H99 PolarHBondContact NH2-CE1 3.39Å; R49-H99 VanDerWaalsContact NH2-CE1 3.27Å; R49-H99 PolarHBondContact NH2-NE2 3.02Å; D97-H99 PolarHBondContact O-N 2.86Å; D97-H99 WeakPolarHBondContact OD1-CB 3.1Å; D97-H99 IonicContact OD1-CD2 3.61Å; D97-H99 PolarHBondContact OD1-CD2 3.1Å; D97-H99 IonicContact OD1-CG 2.71Å; D97-H99 PolarHBondContact OD1-N 2.8Å; D97-H99 VanDerWaalsContact OD1-N 3.1Å
100	H	50	Low	57	Low	135 Å²	135	132.3 Å²	132.3	63%	0.625	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-34.9	172.5	-78.7	-82.4	0	0	0	113.5	D97 R102 R103	D97-H100 PolarHBondContact O-N 3.23Å; D97-H100 IonicContact OD1-CD2 2.71Å; H100-R102 PolarHBondContact O-N 3.29Å; H100-R102 VanDerWaalsContact O-N 3.13Å; H100-R103 PolarHBondContact O-N 3.11Å
101	S	52.3	Low	55.1	Low	112 Å²	112	134.8 Å²	134.8	78%	0.783	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	-12.7	173.4	-57.1	0	0	0	0	114
102	R	53.5	Low	54	Low	230 Å²	230	126.5 Å²	126.5	87%	0.868	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-2.6	170.3	-77.7	-74.8	-167.7	156.5	3.9	113.9	H100	H100-R102 PolarHBondContact O-N 3.29Å; H100-R102 VanDerWaalsContact O-N 3.13Å
103	R	53.5	Low	53	Low	212 Å²	212	121.2 Å²	121.2	80%	0.8	67%	0.668	S	S	*	*			trans	-118.3	16.6	-173.6	-151.4	173.4	-178.2	173.3	1.3	114.7	H100	H100-R103 PolarHBondContact O-N 3.11Å
104	G	50.9	Low	52.1	Low	47 Å²	47	122.4 Å²	122.4	49%	0.485	68%	0.68	S	S	.	*	S	Bend	trans	-67.3	156.3	147.2	0	0	0	0	0	109.8
105	P	58.3	Low	51.2	Low	121 Å²	121	130 Å²	130	79%	0.786	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-57.5	146.4	168.3	27.3	-34.2	0	0	0	109.3
106	P	55.3	Low	50.5	Low	112 Å²	112	129.2 Å²	129.2	73%	0.727	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-55	140.9	177.3	24.7	-34.1	0	0	0	109.2	R108	P106-R108 PolarHBondContact O-N 3.46Å
107	P	53.5	Low	49.8	Very low	125 Å²	125	135 Å²	135	81%	0.812	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-54.5	118	-178.7	22.9	-33.2	0	0	0	107.9	R109	P107-R109 PolarHBondContact O-N 3.26Å
108	R	50.7	Low	49.2	Very low	242 Å²	242	144.7 Å²	144.7	91%	0.913	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-51.3	117.2	-177.8	-77	-172.3	175	-161	-1.4	106.9	P106 Y110	P106-R108 PolarHBondContact O-N 3.46Å; R108-Y110 PolarHBondContact O-N 3.15Å
109	R	48.3	Very low	48.7	Very low	252 Å²	252	146 Å²	146	95%	0.951	77%	0.766	S	S	*	*			trans	-75	60	-175.2	-161.1	-177.3	-168.8	-172.3	4.9	110.3	P107 G111	P107-R109 PolarHBondContact O-N 3.26Å; R109-G111 PolarHBondContact O-N 2.67Å
110	Y	46	Very low	48.5	Very low	215 Å²	215	152.5 Å²	152.5	84%	0.843	79%	0.787	S	S	*	*			trans	-73.8	73.7	172.2	-158.2	-93.8	0	0	0	107.8	R108 G112	R108-Y110 PolarHBondContact O-N 3.15Å; Y110-G112 PolarHBondContact O-N 3.12Å
111	G	45.2	Very low	48.3	Very low	74 Å²	74	151.2 Å²	151.2	76%	0.763	79%	0.793	S	S	*	*			trans	-67	71	168.3	0	0	0	0	0	109.8	R109	R109-G111 PolarHBondContact O-N 2.67Å
112	G	47.5	Very low	48.2	Very low	54 Å²	54	151.9 Å²	151.9	56%	0.557	80%	0.795	S	S	*	*			trans	-67.5	172.3	163.3	0	0	0	0	0	110.8	Y110	Y110-G112 PolarHBondContact O-N 3.12Å
113	G	44.1	Very low	48	Very low	83 Å²	83	153 Å²	153	86%	0.856	80%	0.799	S	S	*	*			trans	89.2	63.9	-176.9	0	0	0	0	0	112.6
114	G	42.1	Very low	47.7	Very low	73 Å²	73	154.6 Å²	154.6	75%	0.753	81%	0.805	S	S	*	*			trans	-64.6	153.5	174.6	0	0	0	0	0	112.8	G116	G114-G116 PolarHBondContact O-N 3.4Å
115	Y	42.9	Very low	47.5	Very low	238 Å²	238	164.5 Å²	164.5	93%	0.933	83%	0.828	S	S	*	*			trans	-74	47.8	173.4	42.8	-91.8	0	0	0	112.6	R117	Y115-R117 PolarHBondContact O-N 3.47Å
116	G	46	Very low	46.8	Very low	61 Å²	61	170.3 Å²	170.3	63%	0.629	83%	0.834	S	S	*	*			trans	-72.3	88	174.4	0	0	0	0	0	112.3	G114 R118	G114-G116 PolarHBondContact O-N 3.4Å; G116-R118 PolarHBondContact O-N 2.62Å
117	R	43.2	Very low	46.2	Very low	230 Å²	230	176.8 Å²	176.8	87%	0.868	84%	0.844	S	S	*	*			trans	41.7	66	151.6	-60.9	-71.6	-161.4	-111.6	-1.4	116.4	Y115 S119	Y115-R117 PolarHBondContact O-N 3.47Å; R117-S119 PolarHBondContact O-N 2.98Å
118	R	43.7	Very low	45.7	Very low	243 Å²	243	175.9 Å²	175.9	92%	0.917	84%	0.841	S	S	*	*			trans	-88	80	167.8	-81.6	-165.4	171.1	-161	-0.8	113.3	G116 R120	G116-R118 PolarHBondContact O-N 2.62Å; R118-R120 PolarHBondContact O-N 3.16Å; R118-R120 VanDerWaalsContact O-N 3.11Å
119	S	42.2	Very low	45.3	Very low	113 Å²	113	176 Å²	176	79%	0.79	84%	0.841	S	S	*	*			trans	-78.5	79.6	169.7	-56.2	0	0	0	0	112	R117	R117-S119 PolarHBondContact O-N 2.98Å
120	R	49.5	Very low	45.3	Very low	230 Å²	230	168.6 Å²	168.6	87%	0.868	83%	0.828	S	S	*	*			trans	-151.7	129	172.3	-80.1	179.2	-174.4	173.4	1.3	108.3	R118	R118-R120 PolarHBondContact O-N 3.16Å; R118-R120 VanDerWaalsContact O-N 3.11Å
121	S	45.7	Very low	45.2	Very low	108 Å²	108	169.4 Å²	169.4	76%	0.755	83%	0.83	S	S	*	*			cis	-152.1	149.7	1.8	-65.8	0	0	0	0	110.6
122	P	49.8	Very low	45.3	Very low	126 Å²	126	170.8 Å²	170.8	82%	0.818	83%	0.828	S	S	*	*			trans	-96.4	121.6	-177.4	34.4	-31.4	0	0	0	113.6
123	R	50.5	Low	45.2	Very low	253 Å²	253	179.7 Å²	179.7	96%	0.955	84%	0.844	S	S	*	*			trans	-140.1	136	159.2	-78.9	-160.1	170.5	-169.5	-2.9	114
124	R	45.9	Very low	45.4	Very low	247 Å²	247	180.9 Å²	180.9	93%	0.932	84%	0.839	S	S	*	*			trans	-53.9	143.1	-174.9	-52.4	161.5	-174	-104.4	3.9	114.3
125	R	46.3	Very low	45.6	Very low	254 Å²	254	188.7 Å²	188.7	96%	0.958	85%	0.846	S	S	*	*			trans	-151.3	138.6	133.6	-112.8	176.1	-178.9	-177.9	-0.2	110
126	R	44.6	Very low	45.9	Very low	243 Å²	243	181.9 Å²	181.9	92%	0.917	83%	0.833	S	S	*	*			trans	-91.7	140.7	173	-64.8	-178.5	-176.2	-119	12.6	109.3
127	R	43.3	Very low	45.8	Very low	249 Å²	249	189.9 Å²	189.9	94%	0.94	85%	0.845	S	S	*	*			trans	-159.4	150	138	-115.4	172.3	-179	172	-0.1	110.1
128	S	41.3	Very low	45.8	Very low	106 Å²	106	183.8 Å²	183.8	74%	0.741	84%	0.837	S	S	*	*			trans	-109.6	-178.9	-172.2	-44	0	0	0	0	111.1
129	R	43.4	Very low	45.8	Very low	244 Å²	244	184.4 Å²	184.4	92%	0.921	84%	0.839	S	S	*	*			trans	91.6	133.2	-179.6	-55.2	159.9	180	179.6	-2.6	112.2
130	S	47.4	Very low	45.9	Very low	96 Å²	96	184.5 Å²	184.5	67%	0.671	84%	0.84	S	S	*	*			cis	-158.1	163	-4.7	-96.7	0	0	0	0	112.9
131	R	45.2	Very low	45.6	Very low	233 Å²	233	185.8 Å²	185.8	88%	0.879	85%	0.845	S	S	*	*			trans	9.5	134.2	145	-52.7	167.8	-179.4	164	-3	116.8
132	S	46.5	Very low	45.6	Very low	103 Å²	103	185.6 Å²	185.6	72%	0.72	84%	0.843	S	S	*	*			cis	-156.7	149.3	43	-71	0	0	0	0	112.3
133	R	46	Very low	45.3	Very low	240 Å²	240	191 Å²	191	91%	0.906	85%	0.847	S	S	*	*				36.4	118.2	97	-57	177	176.3	171.2	-2.9	113.2
134	S	47.7	Very low	45	Very low	108 Å²	108	188 Å²	188	76%	0.755	84%	0.838	S	S	*	*				-151.4	150.6	54.4	-83.6	0	0	0	0	112.4
135	R	47.4	Very low	45	Very low	238 Å²	238	181 Å²	181	90%	0.898	83%	0.826	S	S	*	*				51.1	125.2	81.8	-73.1	177.9	179.2	174.8	-2.2	112.9
136	S	47.9	Very low	44.8	Very low	94 Å²	94	179.9 Å²	179.9	66%	0.657	82%	0.822	S	S	*	*			cis	-158.2	167.8	16	-76.7	0	0	0	0	114.4
137	R	45	Very low	44.8	Very low	230 Å²	230	173.6 Å²	173.6	87%	0.868	82%	0.815	S	S	*	*			trans	21.1	149.9	137	-58.3	170.2	179.9	159.1	-3.7	120.3
138	S	43.4	Very low	44.9	Very low	101 Å²	101	171.4 Å²	171.4	71%	0.706	81%	0.812	S	S	*	*			cis	-176	137.5	-13.9	-86	0	0	0	0	107.6
139	R	43.5	Very low	45.1	Very low	256 Å²	256	171.3 Å²	171.3	97%	0.966	81%	0.812	S	S	*	*			trans	-142	128.1	161.4	-76.3	-165.8	171.2	161.7	-0.7	111.9
140	S	42.9	Very low	45	Very low	115 Å²	115	171.1 Å²	171.1	80%	0.804	81%	0.811	S	S	*	*			trans	-91.3	146.7	-173.2	-46.1	0	0	0	0	112.2
141	R	44.8	Very low	45.1	Very low	257 Å²	257	171.6 Å²	171.6	97%	0.97	81%	0.814	S	S	*	*			trans	-158.4	133.3	146.6	-109.1	160.7	-166.9	-171.5	2.2	109.9
142	S	45.2	Very low	45	Very low	104 Å²	104	171.5 Å²	171.5	73%	0.727	81%	0.814	S	S	*	*			trans	-99.3	152.8	-176.6	52.2	0	0	0	0	111.4
143	R	43.3	Very low	45	Very low	239 Å²	239	172.4 Å²	172.4	90%	0.902	82%	0.815	S	S	*	*				174.2	141.5	120.2	-92.4	162.4	-173.5	-166.3	1.2	112.9
144	Y	43.8	Very low	44.7	Very low	192 Å²	192	172.1 Å²	172.1	75%	0.753	81%	0.814	S	S	*	*			trans	64.8	95.2	146.2	-160.9	-109.4	0	0	0	121.9
145	S	46.3	Very low	44.7	Very low	98 Å²	98	171.7 Å²	171.7	69%	0.685	81%	0.811	S	S	*	*			trans	-13.5	137	143.7	-47.2	0	0	0	0	120.8
146	R	42.8	Very low	44.5	Very low	232 Å²	232	171.3 Å²	171.3	88%	0.875	81%	0.81	S	S	*	*				-154.3	153.5	128.6	-134.6	168.8	-177.3	158.1	1.9	111.7
147	S	42.8	Very low	44.4	Very low	111 Å²	111	171.4 Å²	171.4	78%	0.776	81%	0.811	S	S	*	*			trans	-145.5	149.2	-163.5	51	0	0	0	0	114.1
148	K	45.7	Very low	44.4	Very low	202 Å²	202	171.6 Å²	171.6	88%	0.878	81%	0.811	S	S	*	*			trans	-171.4	141.1	155.9	-113	170.4	179	179.4	0	113.2
149	S	46.8	Very low	44.6	Very low	105 Å²	105	171.8 Å²	171.8	73%	0.734	81%	0.813	S	S	*	*			trans	46.2	127.7	145.6	-54.8	0	0	0	0	120.9
150	R	41.5	Very low	45.1	Very low	240 Å²	240	165.4 Å²	165.4	91%	0.906	80%	0.803	S	S	*	*			cis	57.6	127.8	19.1	-66.5	-172	179.9	-174.8	0.6	114.3
151	S	48.6	Very low	45.4	Very low	105 Å²	105	164.9 Å²	164.9	73%	0.734	80%	0.799	S	S	*	*			cis	-145	-143.5	2.8	-56.5	0	0	0	0	110.1
152	R	43.6	Very low	45.7	Very low	232 Å²	232	162.2 Å²	162.2	88%	0.875	79%	0.794	S	S	*	*			cis	-163.3	121.4	2.2	-139.8	172.1	-171.1	162.9	1.4	112.3
153	T	46.4	Very low	46	Very low	121 Å²	121	161.2 Å²	161.2	74%	0.742	79%	0.787	S	S	*	*			trans	27.3	133.9	147.5	58.7	0	0	0	0	125.4
154	R	39.9	Very low	46.3	Very low	234 Å²	234	160.8 Å²	160.8	88%	0.883	79%	0.786	S	S	*	*				-178.4	130.7	125	-97.3	161.6	178.3	177.4	-1.4	110.4
155	S	46.9	Very low	46.7	Very low	99 Å²	99	156.7 Å²	156.7	69%	0.692	79%	0.785	S	S	*	*				55.3	138	71.1	14.1	0	0	0	0	115.3
156	R	43	Very low	47	Very low	230 Å²	230	156.3 Å²	156.3	87%	0.868	79%	0.787	S	S	*	*			cis	-158.5	131.8	10.4	-100.2	159.4	179.9	164.6	-3.3	107.8
157	S	45.5	Very low	47.4	Very low	97 Å²	97	156.3 Å²	156.3	68%	0.678	79%	0.788	S	S	*	*				70.7	137.1	82.4	75	0	0	0	0	119.3
158	R	46.5	Very low	47.8	Very low	233 Å²	233	162.3 Å²	162.3	88%	0.879	79%	0.793	S	S	*	*			trans	103.4	111.6	176.5	-67.2	177.2	175.9	175.1	-2.6	114.4
159	S	47.4	Very low	48.1	Very low	105 Å²	105	157 Å²	157	73%	0.734	78%	0.781	S	S	*	*				70.3	134.4	80.1	69	0	0	0	0	114
160	T	53.6	Low	48.3	Very low	123 Å²	123	161.4 Å²	161.4	76%	0.755	79%	0.787	S	S	*	*				-157.9	156	54.5	54.9	0	0	0	0	117.3
161	S	49	Very low	48.7	Very low	103 Å²	103	155 Å²	155	72%	0.72	78%	0.78	S	S	*	*			trans	41.3	140.1	132.3	-52.7	0	0	0	0	126.4
162	K	51.8	Low	48.8	Very low	201 Å²	201	159.9 Å²	159.9	87%	0.874	79%	0.787	S	S	*	*			trans	70.7	158.3	151.9	-70.2	172.5	-178.5	177.7	0	118.8
163	S	51.7	Low	49	Very low	83 Å²	83	154.7 Å²	154.7	58%	0.58	79%	0.787	S	S	*	*			cis	-177.9	158.2	-34.8	60.2	0	0	0	0	111.2
164	R	49.1	Very low	48.9	Very low	231 Å²	231	154.4 Å²	154.4	87%	0.872	79%	0.79	S	S	*	*			trans	72.7	159.1	166.4	-56.5	170.2	-179.9	-179.2	-1.8	116.2
165	S	51.2	Low	49.5	Very low	106 Å²	106	148.4 Å²	148.4	74%	0.741	78%	0.783	S	S	*	*			cis	-171.8	161.7	-28.6	-90.4	0	0	0	0	110.4
166	A	52.5	Low	49.6	Very low	89 Å²	89	150.8 Å²	150.8	74%	0.736	79%	0.794	S	S	*	*			trans	69.2	162.6	157.2	0	0	0	0	0	118.2
167	R	52	Low	50.1	Low	233 Å²	233	145 Å²	145	88%	0.879	79%	0.788	S	S	*	*			cis	-165.7	160.8	-25	-105.7	175.2	-178.2	-168.7	0.4	108.2
168	R	50.9	Low	49.9	Very low	237 Å²	237	151.7 Å²	151.7	89%	0.894	80%	0.798	S	S	*	*			trans	63.4	170.4	160.3	-82	-176.1	168.9	175.7	-5.5	117.7
169	S	51.9	Low	50.1	Low	89 Å²	89	145.8 Å²	145.8	62%	0.622	79%	0.793	S	S	*	*			cis	-174	139.6	-49	57.2	0	0	0	0	113.7
170	K	52.3	Low	50	Low	198 Å²	198	152.2 Å²	152.2	86%	0.861	80%	0.801	S	S	*	*			trans	74.2	154.4	143	-138.1	176.2	-171.1	-178.6	0	120.6
171	S	49.7	Very low	49.9	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	80%	0.802	S	S	*	*			trans	89.2	118.4	152.3	-15	0	0	0	0	121.9
172	K	49.2	Very low	49.9	Very low	207 Å²	207	157.9 Å²	157.9	90%	0.9	81%	0.81	S	S	*	*			trans	-24.6	146.3	146.6	-56.3	168.9	173.2	-177.8	0	116.4
173	S	49.8	Very low	50	Low	123 Å²	123	153.8 Å²	153.8	86%	0.86	81%	0.806	S	S	*	*				-169.3	170.7	108.8	63.2	0	0	0	0	112.2
174	S	42.6	Very low	49.8	Very low	115 Å²	115	160.6 Å²	160.6	80%	0.804	82%	0.819	S	S	*	*			trans	-91.8	152.3	-178.7	52.7	0	0	0	0	113.3
175	S	54.2	Low	50.1	Low	107 Å²	107	154.4 Å²	154.4	75%	0.748	81%	0.811	S	S	*	*			trans	-147.2	125.4	159.2	59.4	0	0	0	0	112.3
176	V	48.1	Very low	50.1	Low	150 Å²	150	160.1 Å²	160.1	91%	0.909	82%	0.817	S	S	*	*			trans	-91.8	125.1	164.7	171.3	0	0	0	0	108.1
177	S	52.8	Low	50.2	Low	107 Å²	107	160.4 Å²	160.4	75%	0.748	81%	0.813	S	S	*	*			trans	-143.3	109.5	175.2	53.8	0	0	0	0	111.9
178	R	42.2	Very low	50.1	Low	238 Å²	238	160.8 Å²	160.8	90%	0.898	82%	0.815	S	S	*	*			trans	-69.7	140.3	167.4	-61.5	165.3	170.1	160.8	-6.1	109.3
179	S	49.8	Very low	50.3	Low	109 Å²	109	153.9 Å²	153.9	76%	0.762	80%	0.803	S	S	*	*				173	133.3	124.9	47.7	0	0	0	0	116.9
180	R	45.4	Very low	50.5	Low	241 Å²	241	161 Å²	161	91%	0.909	82%	0.816	S	S	*	*			trans	36.1	112.9	131	-56.5	172.1	173.7	165.6	-4.1	120.4
181	S	52.2	Low	50.9	Low	110 Å²	110	156.6 Å²	156.6	77%	0.769	81%	0.81	S	S	*	*				-166.4	114.3	128.7	-89.9	0	0	0	0	110.9
182	R	47.9	Very low	51.4	Low	235 Å²	235	157 Å²	157	89%	0.887	81%	0.81	S	S	*	*				81.2	90	83	-80.8	-179.9	166.3	-180	-2.7	114.6
183	S	54	Low	51.9	Low	114 Å²	114	152.8 Å²	152.8	80%	0.797	80%	0.804	S	S	*	*			trans	-176.9	149.5	145.9	-85.2	0	0	0	0	109.9
184	R	49.3	Very low	52.2	Low	226 Å²	226	152.8 Å²	152.8	85%	0.853	80%	0.801	S	S	*	*			cis	179.2	146.1	-29	-122.3	176.5	174.3	-178.6	-2.1	105.4
185	S	54.9	Low	52.8	Low	101 Å²	101	154.1 Å²	154.1	71%	0.706	80%	0.804	S	S	*	*			trans	71.9	158.6	176.8	-46.9	0	0	0	0	115.2
186	R	50.4	Low	53	Low	227 Å²	227	155 Å²	155	86%	0.857	81%	0.81	S	S	*	*			cis	-176.6	154.8	-17.7	-97.1	168.2	-175.6	176.2	-1.3	103.8
187	S	54.5	Low	53.2	Low	95 Å²	95	157.8 Å²	157.8	66%	0.664	81%	0.81	S	S	*	*			cis	-175.6	162.4	-20.6	-80.6	0	0	0	0	106.8
188	R	50.5	Low	53.6	Low	241 Å²	241	163.5 Å²	163.5	91%	0.909	82%	0.815	S	S	*	*			trans	73.6	154	168.7	-55.7	171.2	179.3	-179.3	-2.9	116.6
189	S	55.4	Low	53.7	Low	92 Å²	92	159.8 Å²	159.8	64%	0.643	81%	0.808	S	S	*	*			cis	176.3	155.3	-39.9	52.2	0	0	0	0	109.9
190	R	55.9	Low	54.3	Low	239 Å²	239	159 Å²	159	90%	0.902	80%	0.803	S	S	*	*			trans	73.9	137.9	171.8	-58.2	178	177.5	-165	-3.7	114.9
191	S	59.4	Low	54.4	Low	105 Å²	105	156 Å²	156	73%	0.734	80%	0.796	S	S	*	*			cis	-158.2	155.1	-10.5	-80	0	0	0	0	111.3
192	P	60.8	Low	54.7	Low	115 Å²	115	156.3 Å²	156.3	75%	0.747	80%	0.798	S	S	*	*			trans	-121.4	-175.1	160.6	41.4	-30.8	0	0	0	112.2
193	P	61	Low	54.8	Low	119 Å²	119	157 Å²	157	77%	0.773	80%	0.8	S	S	*	*				-111.4	-139.5	-53.4	34.8	-15.6	0	0	0	108.8
194	P	55.7	Low	55.2	Low	123 Å²	123	157.2 Å²	157.2	80%	0.799	80%	0.802	S	S	*	*			cis	-138.6	-167.9	45.6	41.1	-19.7	0	0	0	115.7
195	V	54.4	Low	55.4	Low	143 Å²	143	158.1 Å²	158.1	87%	0.867	81%	0.805	S	S	*	*			trans	-85.1	155.5	-175.7	-76.2	0	0	0	0	115.1
196	S	59	Low	55.7	Low	124 Å²	124	158.8 Å²	158.8	87%	0.867	81%	0.81	S	S	*	*			trans	-145.8	116.4	149.1	57.4	0	0	0	0	111.5
197	K	52.2	Low	56.1	Low	209 Å²	209	157.4 Å²	157.4	91%	0.909	81%	0.81	S	S	*	*			trans	-90	140	163.4	-70	-179.7	177.3	-179.1	0	108.1
198	R	60.6	Low	56.6	Low	228 Å²	228	158.3 Å²	158.3	86%	0.86	82%	0.816	S	S	*	*			trans	-151.6	109.3	154.2	-155	162.6	-174	-117.2	1.2	112.8
199	E	45.3	Very low	57.4	Low	159 Å²	159	152.4 Å²	152.4	74%	0.743	81%	0.809	S	S	*	*			trans	-78.5	145.1	164.3	-174.6	179.7	131.2	0	0	109.1
200	S	61.3	Low	57.6	Low	94 Å²	94	154.2 Å²	154.2	66%	0.657	82%	0.819	S	S	*	*			trans	-156.3	140.1	171.3	-73.5	0	0	0	0	110.1
201	K	47.8	Very low	58	Low	178 Å²	178	152.4 Å²	152.4	77%	0.774	82%	0.817	S	S	*	*			trans	-150.5	95.4	-153.2	-174	178.9	-173.3	171.9	0	112.3
202	S	59.8	Low	57.9	Low	115 Å²	115	152.3 Å²	152.3	80%	0.804	82%	0.816	S	S	*	*			trans	-158.1	127.7	178.9	47	0	0	0	0	109.5
203	R	49.3	Very low	58.1	Low	250 Å²	250	151.5 Å²	151.5	94%	0.943	81%	0.811	S	S	*	*			cis	87.4	77	39.1	-77.1	-167.8	158.2	-167	-2.3	116.2
204	S	61.2	Low	58.1	Low	118 Å²	118	154.5 Å²	154.5	83%	0.825	82%	0.815	S	S	*	*			trans	-162.7	134	145.3	42	0	0	0	0	107.3
205	R	53.4	Low	57.9	Low	246 Å²	246	157.9 Å²	157.9	93%	0.928	82%	0.82	S	S	*	*			cis	84.9	93.2	33.5	-82.7	-167.5	163.5	-172.5	-3.6	116.2
206	S	61.3	Low	58.1	Low	114 Å²	114	160.4 Å²	160.4	80%	0.797	82%	0.823	S	S	*	*			trans	-162.1	128.7	138.8	-81.6	0	0	0	0	105.9
207	K	59.2	Low	58.1	Low	199 Å²	199	158.1 Å²	158.1	87%	0.865	82%	0.819	S	S	*	*				58	127.7	69	-71.8	-169	171.3	-171.4	0	111.9
208	S	64.9	Low	58.6	Low	113 Å²	113	153.2 Å²	153.2	79%	0.79	82%	0.817	S	S	*	*			cis	-142.1	169.2	36.8	-69.7	0	0	0	0	115.8
209	P	66.8	Low	58.4	Low	117 Å²	117	148.6 Å²	148.6	76%	0.76	81%	0.814	S	S	*	*			trans	-96.8	178.9	-177	41	-37	0	0	0	114.2
210	P	61	Low	59.1	Low	130 Å²	130	146.4 Å²	146.4	84%	0.844	82%	0.816	S	S	*	*			trans	-93.7	178.6	-165.3	38.8	-36.8	0	0	0	115.2
211	K	63.7	Low	59	Low	202 Å²	202	151.5 Å²	151.5	88%	0.878	85%	0.851	S	S	*	*			trans	-152	129.4	174.7	-166.1	178.3	-177.6	-169.8	0	112.9
212	S	57.1	Low	59.6	Low	102 Å²	102	150.2 Å²	150.2	71%	0.713	86%	0.855	S	S	*	*			trans	-97.1	165.1	165	-51.3	0	0	0	0	110.8
213	P	65.8	Low	59.6	Low	99 Å²	99	152 Å²	152	64%	0.643	86%	0.858	S	S	*	*				-129.7	154.3	102.7	4.4	19.1	0	0	0	112.4
214	E	60.7	Low	60.2	Low	181 Å²	181	146.6 Å²	146.6	85%	0.846	85%	0.853	S	S	*	*				59.8	93.5	76.9	-51.7	163.2	133	0	0	110.3
215	E	51.3	Low	60.1	Low	195 Å²	195	148.2 Å²	148.2	91%	0.911	86%	0.855	S	S	*	*				44.3	111	86.4	-163.4	-179.6	163.2	0	0	114.7
216	E	59.6	Low	60.5	Low	196 Å²	196	142.1 Å²	142.1	92%	0.916	85%	0.85	S	S	*	*			trans	-178	139.1	150.4	-91.2	-103.2	107.2	0	0	106.6
217	G	59.1	Low	60.5	Low	76 Å²	76	144 Å²	144	78%	0.784	85%	0.854	S	S	*	*			trans	159.1	81.8	-178.5	0	0	0	0	0	115.3
218	A	62.8	Low	60.6	Low	105 Å²	105	140.1 Å²	140.1	87%	0.868	85%	0.853	S	S	*	*			trans	-69.1	162.7	-169.3	0	0	0	0	0	116.4
219	V	54.3	Low	60.2	Low	132 Å²	132	142.2 Å²	142.2	80%	0.8	86%	0.858	S	S	*	*			trans	-85	169.4	174.2	-70.5	0	0	0	0	113.3
220	S	60.1	Low	59.7	Low	113 Å²	113	144.3 Å²	144.3	79%	0.79	87%	0.866	S	S	*	*			trans	78.3	102.3	161.9	-59.9	0	0	0	0	119.3
221	S	60.9	Low	59.6	Low	200 Å²	200	145.5 Å²	145.5	100%	1.399	87%	0.868	S	S	*	*				-146.5	0	120.1	-70.5	0	0	0	0	109.2

Retrieved 221 of 221 residues in 28.7 ms (Link to these results)

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