A0A077Z4Z9_TRITR Loading...

TIL domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4Z9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 292 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	66.5	Low	85.9	Confident	212 Å²	212	112.1 Å²	112.1	100%	1.044	61%	0.61	S	S	*	*				0	-58.1	0	-59	-73.2	-146.5	0	0	111.8	A3 A4 V5	M1-A3 PolarHBondContact O-N 2.86Å; M1-A4 PolarHBondContact O-N 2.92Å; M1-V5 WeakPolarHBondContact O-CG2 3.3Å; M1-V5 PolarHBondContact O-N 2.66Å
2	Q	79.5	Confident	86	Confident	176 Å²	176	110.4 Å²	110.4	82%	0.822	60%	0.599	S	S	*	*	H	α-helix	trans	-63.7	-40.2	-171.8	-67.9	-178.1	-24.6	0	0	115.3	A4 V5 L6	Q2-A4 PolarHBondContact O-N 2.9Å; Q2-V5 PolarHBondContact O-N 3.38Å; Q2-L6 PolarHBondContact O-N 2.01Å
3	A	84.7	Confident	86	Confident	72 Å²	72	110.8 Å²	110.8	60%	0.595	60%	0.6	S	S	*	*	H	α-helix	trans	-65.7	-37.8	-178.8	0	0	0	0	0	113.5	M1 L6 L7	M1-A3 PolarHBondContact O-N 2.86Å; A3-L6 PolarHBondContact O-N 3.39Å; A3-L7 WeakPolarHBondContact O-CG 3.4Å; A3-L7 PolarHBondContact O-N 3.41Å
4	A	87.2	Confident	85.7	Confident	60 Å²	60	114.8 Å²	114.8	50%	0.496	61%	0.609	S	S	.	*	H	α-helix	trans	-68.7	-37.5	178.2	0	0	0	0	0	111.9	M1 Q2 L7 F8	M1-A4 PolarHBondContact O-N 2.92Å; Q2-A4 PolarHBondContact O-N 2.9Å; A4-L7 PolarHBondContact O-N 2.83Å; A4-F8 PolarHBondContact O-N 2.79Å; A4-F8 VanDerWaalsContact O-N 3.08Å
5	V	90.2	Very high	85.3	Confident	87 Å²	87	114.9 Å²	114.9	53%	0.527	61%	0.609	S	S	.	*	H	α-helix	trans	-66.8	-41.8	175.4	177.9	0	0	0	0	110.8	M1 Q2 F8 L9	M1-V5 WeakPolarHBondContact O-CG2 3.3Å; M1-V5 PolarHBondContact O-N 2.66Å; Q2-V5 PolarHBondContact O-N 3.38Å; V5-F8 PolarHBondContact O-N 3.4Å; V5-L9 HydrophobicContact CG1-CD1 4.27Å; V5-L9 WeakPolarHBondContact O-CG 3.03Å; V5-L9 PolarHBondContact O-N 3.29Å
6	L	89.1	Confident	84.8	Confident	112 Å²	112	112.8 Å²	112.8	59%	0.586	61%	0.605	S	S	*	*	H	α-helix	trans	-61.8	-44.6	176.6	-164.2	87.5	0	0	0	111.8	Q2 A3 F8 L9 L10	Q2-L6 PolarHBondContact O-N 2.01Å; A3-L6 PolarHBondContact O-N 3.39Å; L6-F8 PolarHBondContact O-N 3.28Å; L6-L9 PolarHBondContact O-N 3.45Å; L6-L10 HydrophobicContact CG-CD1 4.46Å; L6-L10 WeakPolarHBondContact O-CG 3.01Å; L6-L10 PolarHBondContact O-N 2.79Å
7	L	89.5	Confident	83.9	Confident	114 Å²	114	109.9 Å²	109.9	60%	0.597	60%	0.6	S	S	*	*	H	α-helix	trans	-62.7	-41.1	177.1	-76.7	169.6	0	0	0	112.2	A3 A4 L10 T11	A3-L7 WeakPolarHBondContact O-CG 3.4Å; A3-L7 PolarHBondContact O-N 3.41Å; A4-L7 PolarHBondContact O-N 2.83Å; L7-L10 PolarHBondContact O-N 3.03Å; L7-T11 WeakPolarHBondContact O-CG2 3.25Å; L7-T11 PolarHBondContact O-N 2.86Å; L7-T11 PolarHBondContact O-OG1 2.04Å
8	F	90.4	Very high	82.8	Confident	145 Å²	145	108.7 Å²	108.7	64%	0.636	61%	0.608	S	S	*	*	H	α-helix	trans	-63.7	-39	175.5	-108.1	-81.4	0	0	0	113.2	A4 V5 L6 T11 L12	A4-F8 PolarHBondContact O-N 2.79Å; A4-F8 VanDerWaalsContact O-N 3.08Å; V5-F8 PolarHBondContact O-N 3.4Å; L6-F8 PolarHBondContact O-N 3.28Å; F8-T11 WeakPolarHBondContact CA-OG1 3.48Å; F8-T11 PolarHBondContact O-OG1 3.47Å; F8-L12 WeakPolarHBondContact O-CB 2.85Å; F8-L12 WeakPolarHBondContact O-CG 3.31Å; F8-L12 PolarHBondContact O-N 3.29Å
9	L	90	Very high	81.8	Confident	98 Å²	98	107.1 Å²	107.1	51%	0.513	61%	0.605	S	S	.	*	H	α-helix	trans	-68.3	-39	176.1	-69.4	174.7	0	0	0	111.6	V5 L6 L12 L13	V5-L9 HydrophobicContact CG1-CD1 4.27Å; V5-L9 WeakPolarHBondContact O-CG 3.03Å; V5-L9 PolarHBondContact O-N 3.29Å; L6-L9 PolarHBondContact O-N 3.45Å; L9-L12 PolarHBondContact O-N 3.35Å; L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 2.73Å
10	L	90.1	Very high	80.6	Confident	84 Å²	84	106.7 Å²	106.7	44%	0.44	61%	0.609	S	S	.	*	H	α-helix	trans	-65.8	-39.9	176	-70.4	173.8	0	0	0	112.2	L6 L7 L13 F14	L6-L10 HydrophobicContact CG-CD1 4.46Å; L6-L10 WeakPolarHBondContact O-CG 3.01Å; L6-L10 PolarHBondContact O-N 2.79Å; L7-L10 PolarHBondContact O-N 3.03Å; L10-L13 PolarHBondContact O-N 3.05Å; L10-F14 WeakPolarHBondContact O-CB 3.38Å; L10-F14 PolarHBondContact O-N 2.94Å
11	T	88	Confident	79.5	Confident	73 Å²	73	110.3 Å²	110.3	45%	0.448	62%	0.621	S	S	.	*	H	α-helix	trans	-67.2	-40	175.6	55.6	0	0	0	0	111.9	L7 F8 F14 L15	L7-T11 WeakPolarHBondContact O-CG2 3.25Å; L7-T11 PolarHBondContact O-N 2.86Å; L7-T11 PolarHBondContact O-OG1 2.04Å; F8-T11 WeakPolarHBondContact CA-OG1 3.48Å; F8-T11 PolarHBondContact O-OG1 3.47Å; T11-F14 PolarHBondContact O-N 2.8Å; T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 WeakPolarHBondContact O-CD1 3.46Å; T11-L15 VanDerWaalsContact O-CG 3.26Å; T11-L15 WeakPolarHBondContact O-CG 3.3Å; T11-L15 PolarHBondContact O-N 2.8Å
12	L	86.8	Confident	79.3	Confident	92 Å²	92	104.7 Å²	104.7	48%	0.482	61%	0.607	S	S	.	*	H	α-helix	trans	-63	-41.8	173.6	-75.1	171	0	0	0	112	F8 L9 L15 C16	F8-L12 WeakPolarHBondContact O-CB 2.85Å; F8-L12 WeakPolarHBondContact O-CG 3.31Å; F8-L12 PolarHBondContact O-N 3.29Å; L9-L12 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 2.97Å; L12-C16 WeakPolarHBondContact O-CB 3.37Å; L12-C16 PolarHBondContact O-N 3.22Å; L12-C16 PolarHBondContact O-SG 3.28Å
13	L	85.6	Confident	78.7	Confident	116 Å²	116	105.9 Å²	105.9	61%	0.607	61%	0.606	S	S	*	*	H	α-helix	trans	-64.1	-41.9	174.9	-75	170.6	0	0	0	111.9	L9 L10 C16 A17	L9-L13 WeakPolarHBondContact O-CB 3.47Å; L9-L13 WeakPolarHBondContact O-CG 3.34Å; L9-L13 PolarHBondContact O-N 2.73Å; L10-L13 PolarHBondContact O-N 3.05Å; L13-C16 PolarHBondContact O-N 2.04Å; L13-A17 WeakPolarHBondContact O-CB 2.99Å; L13-A17 PolarHBondContact O-N 2.84Å
14	F	82.7	Confident	78.1	Confident	166 Å²	166	105.7 Å²	105.7	73%	0.728	60%	0.597	S	S	*	*	H	α-helix	trans	-62.2	-42.1	174.2	-105	-87.6	0	0	0	112.2	L10 T11 A17 A18	L10-F14 WeakPolarHBondContact O-CB 3.38Å; L10-F14 PolarHBondContact O-N 2.94Å; T11-F14 PolarHBondContact O-N 2.8Å; F14-A17 PolarHBondContact O-N 3.48Å; F14-A18 WeakPolarHBondContact O-CB 3.01Å; F14-A18 PolarHBondContact O-N 2.83Å
15	L	79.9	Confident	77.8	Confident	116 Å²	116	111.6 Å²	111.6	61%	0.607	61%	0.612	S	S	*	*	H	α-helix	trans	-66.1	-42.6	175.9	-74.8	162.7	0	0	0	111.8	T11 L12 A18 S19	T11-L15 WeakPolarHBondContact O-CB 3.45Å; T11-L15 WeakPolarHBondContact O-CD1 3.46Å; T11-L15 VanDerWaalsContact O-CG 3.26Å; T11-L15 WeakPolarHBondContact O-CG 3.3Å; T11-L15 PolarHBondContact O-N 2.8Å; L12-L15 PolarHBondContact O-N 2.97Å; L15-A18 PolarHBondContact O-N 3.05Å; L15-S19 WeakPolarHBondContact O-CB 3.45Å; L15-S19 PolarHBondContact O-N 2.69Å; L15-S19 VanDerWaalsContact O-N 3.09Å
16	C	75.9	Confident	77.5	Confident	81 Å²	81	108.9 Å²	108.9	55%	0.547	60%	0.597	S	S	.	*	H	α-helix	trans	-63	-43.2	175.1	-76.1	0	0	0	0	111.5	L12 L13 A18 S19	L12-C16 WeakPolarHBondContact O-CB 3.37Å; L12-C16 PolarHBondContact O-N 3.22Å; L12-C16 PolarHBondContact O-SG 3.28Å; L13-C16 PolarHBondContact O-N 2.04Å; C16-A18 PolarHBondContact O-N 3.49Å; C16-S19 PolarHBondContact O-N 2.8Å; C16-S19 VanDerWaalsContact O-N 3.16Å; C16-S19 PolarHBondContact O-OG 2.96Å
17	A	70.1	Confident	77.2	Confident	64 Å²	64	105.7 Å²	105.7	53%	0.529	59%	0.59	S	S	.	*	H	α-helix	trans	-63.1	-41.6	176.4	0	0	0	0	0	111.7	L13 F14 S19 S20	L13-A17 WeakPolarHBondContact O-CB 2.99Å; L13-A17 PolarHBondContact O-N 2.84Å; F14-A17 PolarHBondContact O-N 3.48Å; A17-S19 PolarHBondContact O-N 2.71Å; A17-S20 PolarHBondContact O-N 3.03Å; A17-S20 PolarHBondContact O-OG 2.93Å
18	A	64.4	Low	76.8	Confident	89 Å²	89	105.7 Å²	105.7	74%	0.736	60%	0.6	S	S	*	*	H	α-helix	trans	-66.3	-21.8	176	0	0	0	0	0	113.6	F14 L15 C16	F14-A18 WeakPolarHBondContact O-CB 3.01Å; F14-A18 PolarHBondContact O-N 2.83Å; L15-A18 PolarHBondContact O-N 3.05Å; C16-A18 PolarHBondContact O-N 3.49Å
19	S	63.5	Low	76.2	Confident	78 Å²	78	99.2 Å²	99.2	55%	0.545	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.9	5	-178.7	74.2	0	0	0	0	115	L15 C16 A17 Q21	L15-S19 WeakPolarHBondContact O-CB 3.45Å; L15-S19 PolarHBondContact O-N 2.69Å; L15-S19 VanDerWaalsContact O-N 3.09Å; C16-S19 PolarHBondContact O-N 2.8Å; C16-S19 VanDerWaalsContact O-N 3.16Å; C16-S19 PolarHBondContact O-OG 2.96Å; A17-S19 PolarHBondContact O-N 2.71Å; S19-Q21 PolarHBondContact O-N 2.96Å
20	S	57.6	Low	76.2	Confident	98 Å²	98	95.4 Å²	95.4	69%	0.685	55%	0.553	S	S	*	*			trans	-72.1	71.8	176.1	50.1	0	0	0	0	111.4	A17 A22	A17-S20 PolarHBondContact O-N 3.03Å; A17-S20 PolarHBondContact O-OG 2.93Å; S20-A22 PolarHBondContact O-N 2.9Å
21	Q	58.5	Low	76	Confident	184 Å²	184	95.9 Å²	95.9	86%	0.86	55%	0.55	S	S	*	*			trans	-61.5	111.1	166.5	-69.5	-176.2	34.6	0	0	107.6	S19 Y23	S19-Q21 PolarHBondContact O-N 2.96Å; Q21-Y23 PolarHBondContact O-N 2.94Å
22	A	61.4	Low	76	Confident	93 Å²	93	97.3 Å²	97.3	77%	0.769	55%	0.55	S	S	*	*			trans	-60.5	100	171.6	0	0	0	0	0	108.4	S20 V24	S20-A22 PolarHBondContact O-N 2.9Å; A22-V24 PolarHBondContact O-N 2.63Å; A22-V24 VanDerWaalsContact O-N 3.15Å
23	Y	67.1	Low	75.9	Confident	201 Å²	201	94.3 Å²	94.3	79%	0.788	54%	0.536	S	S	*	.			trans	-65.5	114.4	173.6	177	-93.4	0	0	0	108.3	Q21 K25	Q21-Y23 PolarHBondContact O-N 2.94Å; Y23-K25 HydrophobicContact CD1-CB 4.12Å; Y23-K25 HydrophobicContact CE1-CB 4.03Å; Y23-K25 HydrophobicContact CE1-CG 4.44Å; Y23-K25 PolarHBondContact O-N 3.37Å; Y23-K25 VanDerWaalsContact O-N 3.11Å
24	V	71.7	Confident	75.9	Confident	69 Å²	69	99.1 Å²	99.1	42%	0.418	55%	0.546	S	S	.	.			trans	-72.8	104.4	175.8	-179.6	0	0	0	0	108.2	A22 F32	A22-V24 PolarHBondContact O-N 2.63Å; A22-V24 VanDerWaalsContact O-N 3.15Å; V24-F32 HydrophobicContact CB-CD2 4.02Å; V24-F32 HydrophobicContact CB-CE2 3.83Å; V24-F32 HydrophobicContact CG1-CD2 4.01Å; V24-F32 HydrophobicContact CG1-CE2 4.1Å; V24-F32 HydrophobicContact CG2-CE2 4.2Å
25	K	80.5	Confident	75.9	Confident	183 Å²	183	94.3 Å²	94.3	80%	0.796	53%	0.532	S	S	*	.			trans	-89.9	113.7	174.2	-172.6	177.4	-179.1	178.5	0	109.6	Y23	Y23-K25 HydrophobicContact CD1-CB 4.12Å; Y23-K25 HydrophobicContact CE1-CB 4.03Å; Y23-K25 HydrophobicContact CE1-CG 4.44Å; Y23-K25 PolarHBondContact O-N 3.37Å; Y23-K25 VanDerWaalsContact O-N 3.11Å
26	C	84.1	Confident	76	Confident	31 Å²	31	90.4 Å²	90.4	21%	0.209	51%	0.513	C	S	.	.			trans	-79.8	153.9	175.8	-57.7	0	0	0	0	112.6	E30 C62	C26-E30 HydrophobicContact CB-CB 3.82Å; C26-C62 WeakPolarHBondContact CA-SG 3.1Å; C26-C62 HydrophobicContact CB-CB 3.75Å; C26-C62 WeakPolarHBondContact CB-SG 3.12Å; C26-C62 VanDerWaalsContact SG-CA 3.56Å; C26-C62 WeakPolarHBondContact SG-CB 3.27Å; C26-C62 CovalentContact SG-SG 2.04Å; C26-C62 PolarHBondContact SG-SG 3.2Å
27	G	83.5	Confident	75.9	Confident	44 Å²	44	93.4 Å²	93.4	45%	0.454	52%	0.517	S	S	.	.			trans	-75.9	-177.1	179.6	0	0	0	0	0	114	E30	G27-E30 PolarHBondContact N-OE2 3.22Å; G27-E30 PolarHBondContact O-N 2.72Å
28	S	80.8	Confident	76.1	Confident	115 Å²	115	94.8 Å²	94.8	80%	0.804	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	139.5	169.3	-168.5	0	0	0	0	110	E30	S28-E30 VanDerWaalsContact C-N 3.25Å; S28-E30 PolarHBondContact O-N 3.08Å
29	G	79.1	Confident	76.6	Confident	8 Å²	8	91.3 Å²	91.3	8%	0.082	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	4	-177.5	0	0	0	0	0	114.8	R65	G29-R65 WeakPolarHBondContact O-CB 3.48Å; G29-R65 WeakPolarHBondContact O-CG 3.23Å; G29-R65 PolarHBondContact O-N 2.92Å
30	E	88.4	Confident	77.1	Confident	18 Å²	18	90 Å²	90	8%	0.084	48%	0.475	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	165.2	178.4	-69.9	-179.3	151.6	0	0	112.3	C26 G27 S28 C62 M63 R65 R70 C80	C26-E30 HydrophobicContact CB-CB 3.82Å; G27-E30 PolarHBondContact N-OE2 3.22Å; G27-E30 PolarHBondContact O-N 2.72Å; S28-E30 VanDerWaalsContact C-N 3.25Å; S28-E30 PolarHBondContact O-N 3.08Å; E30-C62 HydrophobicContact CB-CB 4.37Å; E30-C62 WeakPolarHBondContact OE2-CB 3.26Å; E30-M63 CarbonylContact C-O 3.1Å; E30-M63 VanDerWaalsContact CA-O 3.3Å; E30-M63 WeakPolarHBondContact CA-O 3.19Å; E30-R65 PolarHBondContact O-NE 2.71Å; E30-R65 PolarHBondContact O-NH2 3.21Å; E30-R70 IonicContact OE1-CZ 2.71Å; E30-R70 IonicContact OE1-NH1 3.81Å; E30-R70 PolarHBondContact OE1-NH1 3.36Å; E30-R70 IonicContact OE1-NH2 3.71Å; E30-R70 PolarHBondContact OE1-NH2 3.46Å; E30-C80 HydrophobicContact CG-CB 3.85Å; E30-C80 WeakPolarHBondContact CG-SG 3.36Å; E30-C80 PolarHBondContact OE1-SG 2.89Å
31	Y	86.5	Confident	78	Confident	95 Å²	95	88.2 Å²	88.2	37%	0.373	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150	166.3	68.6	-81.8	0	0	0	110.2	M63 C64 R65	Y31-M63 VanDerWaalsContact CD1-O 3.31Å; Y31-M63 WeakPolarHBondContact CD1-O 3.5Å; Y31-M63 HydrophobicContact CE1-CB 4.24Å; Y31-M63 HydrophobicContact CE1-CE 4.25Å; Y31-M63 HydrophobicContact CE1-CG 4.32Å; Y31-M63 PolarHBondContact N-O 2.81Å; Y31-M63 PolarHBondContact O-N 2.89Å; Y31-M63 WeakPolarHBondContact OH-CE 3.29Å; Y31-C64 WeakPolarHBondContact CE1-O 3.46Å; Y31-R65 HydrophobicContact CD1-CG 3.79Å
32	F	88.6	Confident	79.2	Confident	103 Å²	103	79.4 Å²	79.4	45%	0.452	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.5	175.7	-177.5	-97.3	0	0	0	109.9	V24 P60	V24-F32 HydrophobicContact CB-CD2 4.02Å; V24-F32 HydrophobicContact CB-CE2 3.83Å; V24-F32 HydrophobicContact CG1-CD2 4.01Å; V24-F32 HydrophobicContact CG1-CE2 4.1Å; V24-F32 HydrophobicContact CG2-CE2 4.2Å; F32-P60 HydrophobicContact CE2-CB 4.42Å; F32-P60 HydrophobicContact CZ-CB 3.95Å
33	T	84.8	Confident	80	Confident	29 Å²	29	75.7 Å²	75.7	18%	0.178	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150	173.3	178.3	0	0	0	0	109.8	C35 V36 P60 G61 M63	T33-C35 WeakPolarHBondContact CG2-O 3.35Å; T33-C35 PolarHBondContact O-N 3.19Å; T33-C35 PolarHBondContact OG1-N 3.39Å; T33-C35 PolarHBondContact OG1-O 3.24Å; T33-V36 HydrophobicContact CG2-CB 4.43Å; T33-V36 HydrophobicContact CG2-CG2 3.59Å; T33-P60 WeakPolarHBondContact O-CA 3.41Å; T33-G61 PolarHBondContact N-O 3.49Å; T33-G61 PolarHBondContact O-N 3.19Å; T33-G61 VanDerWaalsContact O-O 3.11Å; T33-M63 HydrophobicContact CG2-CB 3.72Å; T33-M63 HydrophobicContact CG2-SD 4.36Å
34	R	84.4	Confident	80.6	Confident	216 Å²	216	69.9 Å²	69.9	82%	0.815	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	-12.2	173.5	-61.8	-172.1	-172.5	-154.4	2.2	112.7	R59 P60	R34-R59 CarbonylContact O-C 3.48Å; R34-P60 WeakPolarHBondContact O-CA 3.04Å
35	C	83	Confident	80.7	Confident	65 Å²	65	67.8 Å²	67.8	44%	0.439	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	87.9	-170.9	-166	0	0	0	0	108.6	T33 C58	T33-C35 WeakPolarHBondContact CG2-O 3.35Å; T33-C35 PolarHBondContact O-N 3.19Å; T33-C35 PolarHBondContact OG1-N 3.39Å; T33-C35 PolarHBondContact OG1-O 3.24Å; C35-C58 WeakPolarHBondContact CA-SG 3.03Å; C35-C58 HydrophobicContact CB-CB 3.78Å; C35-C58 WeakPolarHBondContact CB-SG 3.46Å; C35-C58 WeakPolarHBondContact SG-CB 3.44Å; C35-C58 CovalentContact SG-SG 2.03Å; C35-C58 PolarHBondContact SG-SG 3.05Å
36	V	82.2	Confident	80.4	Confident	35 Å²	35	60.5 Å²	60.5	21%	0.212	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.2	168.5	-177.5	0	0	0	0	107.8	T33 D38 C58 R59	T33-V36 HydrophobicContact CG2-CB 4.43Å; T33-V36 HydrophobicContact CG2-CG2 3.59Å; V36-D38 PolarHBondContact O-N 3.16Å; V36-C58 WeakPolarHBondContact O-CB 3.48Å; V36-R59 PolarHBondContact N-O 3.1Å
37	K	73.9	Confident	79.4	Confident	144 Å²	144	62.4 Å²	62.4	63%	0.626	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.5	176.2	-63.4	179.3	179.2	173.6	0	109.6	C39	K37-C39 PolarHBondContact O-N 3.01Å
38	D	73.4	Confident	78.6	Confident	93 Å²	93	66.6 Å²	66.6	50%	0.497	35%	0.346	S	S	.	.	S	Bend	trans	-69	13.2	179.1	-75.7	-16.2	0	0	0	114.8	V36	V36-D38 PolarHBondContact O-N 3.16Å
39	C	75.1	Confident	78.1	Confident	15 Å²	15	64 Å²	64	10%	0.101	33%	0.326	C	S	.	.	S	Bend	trans	-132.4	74	-177	52.3	0	0	0	0	108.5	K37 V41 P50 C52	K37-C39 PolarHBondContact O-N 3.01Å; C39-V41 PolarHBondContact O-N 3.22Å; C39-P50 HydrophobicContact CB-CB 4.33Å; C39-P50 HydrophobicContact CB-CG 3.94Å; C39-C52 HydrophobicContact CB-CB 3.74Å; C39-C52 WeakPolarHBondContact CB-SG 2.94Å; C39-C52 WeakPolarHBondContact SG-CB 3.42Å; C39-C52 CovalentContact SG-SG 1.99Å; C39-C52 PolarHBondContact SG-SG 3.17Å
40	P	74.5	Confident	77.7	Confident	51 Å²	51	66.2 Å²	66.2	33%	0.331	34%	0.339	S	S	.	.			trans	-62.6	131.2	-179	25.8	-33.6	0	0	0	110	N45 S73	P40-N45 PolarHBondContact O-ND2 2.82Å; P40-S73 WeakPolarHBondContact CB-O 3.38Å; P40-S73 WeakPolarHBondContact CG-O 3.15Å
41	V	76.9	Confident	76.9	Confident	60 Å²	60	77 Å²	77	36%	0.364	38%	0.379	S	S	.	.			trans	-97.2	126.5	168.2	-178.1	0	0	0	0	107.3	C39 N45 L46 P49 V69 R70	C39-V41 PolarHBondContact O-N 3.22Å; V41-N45 WeakPolarHBondContact CA-OD1 3Å; V41-L46 HydrophobicContact CG1-CD2 4.45Å; V41-P49 HydrophobicContact CG2-CB 3.95Å; V41-V69 HydrophobicContact CG1-CG1 4.46Å; V41-R70 PolarHBondContact O-N 3.07Å
42	G	83	Confident	76	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.384	C	S	.	.	B	Isolated β-bridge	trans	-141.9	174.1	179.2	0	0	0	0	0	112.5	D44 N45 L46 R70	G42-D44 PolarHBondContact O-N 3.36Å; G42-D44 VanDerWaalsContact O-N 3.13Å; G42-N45 PolarHBondContact N-OD1 2.97Å; G42-N45 CarbonylContact O-C 3.55Å; G42-N45 PolarHBondContact O-N 2.74Å; G42-N45 PolarHBondContact O-OD1 2.96Å; G42-L46 WeakPolarHBondContact O-CG 3.32Å; G42-L46 PolarHBondContact O-N 3.49Å; G42-R70 CarbonylContact C-O 3.4Å; G42-R70 VanDerWaalsContact C-O 3.28Å; G42-R70 WeakPolarHBondContact CA-O 3.31Å
43	C	79.4	Confident	74.7	Confident	15 Å²	15	81.1 Å²	81.1	10%	0.101	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.8	-172.2	-59.9	0	0	0	0	113.3	L46 R70 L71 V81 C86	C43-L46 HydrophobicContact CB-CD1 4.3Å; C43-R70 PolarHBondContact N-O 3.42Å; C43-L71 HydrophobicContact CB-CD1 4.37Å; C43-L71 WeakPolarHBondContact CB-O 3.47Å; C43-V81 VanDerWaalsContact SG-CG2 3.55Å; C43-C86 HydrophobicContact CB-CB 3.56Å; C43-C86 WeakPolarHBondContact CB-SG 3.22Å; C43-C86 VanDerWaalsContact SG-CA 3.51Å; C43-C86 WeakPolarHBondContact SG-CB 3.2Å; C43-C86 CovalentContact SG-SG 2.03Å; C43-C86 PolarHBondContact SG-SG 2.86Å
44	D	78.4	Confident	73.7	Confident	79 Å²	79	89.9 Å²	89.9	42%	0.422	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.3	178.2	60.3	-46.2	0	0	0	115.1	G42 S73	G42-D44 PolarHBondContact O-N 3.36Å; G42-D44 VanDerWaalsContact O-N 3.13Å; D44-S73 VanDerWaalsContact CG-N 3.33Å; D44-S73 VanDerWaalsContact CG-OG 3.26Å; D44-S73 WeakPolarHBondContact OD1-CB 3.34Å; D44-S73 PolarHBondContact OD1-N 3.37Å; D44-S73 PolarHBondContact OD1-OG 2.89Å; D44-S73 WeakPolarHBondContact OD2-CB 3.07Å; D44-S73 PolarHBondContact OD2-N 2.97Å; D44-S73 PolarHBondContact OD2-OG 2.74Å
45	N	74.8	Confident	72.3	Confident	24 Å²	24	83.3 Å²	83.3	13%	0.128	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.4	13.2	-179.9	77.3	4.1	0	0	0	114	P40 V41 G42 D47 N48 P49 P50 S73	P40-N45 PolarHBondContact O-ND2 2.82Å; V41-N45 WeakPolarHBondContact CA-OD1 3Å; G42-N45 PolarHBondContact N-OD1 2.97Å; G42-N45 CarbonylContact O-C 3.55Å; G42-N45 PolarHBondContact O-N 2.74Å; G42-N45 PolarHBondContact O-OD1 2.96Å; N45-D47 PolarHBondContact O-N 2.84Å; N45-N48 CarbonylContact O-C 3.57Å; N45-N48 PolarHBondContact O-N 3.41Å; N45-P49 WeakPolarHBondContact O-CA 3.36Å; N45-P50 WeakPolarHBondContact ND2-CD 2.99Å; N45-S73 VanDerWaalsContact CG-CB 3.5Å; N45-S73 WeakPolarHBondContact ND2-CB 3.5Å; N45-S73 PolarHBondContact ND2-OG 2.83Å
46	L	73.4	Confident	71.3	Confident	30 Å²	30	84 Å²	84	16%	0.157	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-38.8	175.5	-86.7	163.9	0	0	0	112.8	V41 G42 C43 V69 F83 C86	V41-L46 HydrophobicContact CG1-CD2 4.45Å; G42-L46 WeakPolarHBondContact O-CG 3.32Å; G42-L46 PolarHBondContact O-N 3.49Å; C43-L46 HydrophobicContact CB-CD1 4.3Å; L46-V69 HydrophobicContact CD2-CG1 4.26Å; L46-F83 HydrophobicContact CD2-CD1 3.59Å; L46-F83 HydrophobicContact CD2-CE1 3.14Å; L46-F83 HydrophobicContact CD2-CZ 4.11Å; L46-C86 HydrophobicContact CD1-CB 4.01Å
47	D	62.7	Low	70.6	Confident	71 Å²	71	88.8 Å²	88.8	38%	0.38	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-27.7	-178.8	-67	-36.4	0	0	0	113.9	N45 R98 G99 G100	N45-D47 PolarHBondContact O-N 2.84Å; D47-R98 VanDerWaalsContact OD2-C 3.28Å; D47-G99 WeakPolarHBondContact OD2-CA 3.42Å; D47-G99 PolarHBondContact OD2-N 2.98Å; D47-G100 VanDerWaalsContact CG-N 3.34Å; D47-G100 WeakPolarHBondContact OD1-CA 3.33Å; D47-G100 PolarHBondContact OD1-N 2.87Å; D47-G100 PolarHBondContact OD2-N 3.28Å
48	N	67.4	Low	70.8	Confident	133 Å²	133	84.2 Å²	84.2	71%	0.711	44%	0.444	S	S	*	.	S	Bend	trans	-143.5	68.2	-176.5	-174.8	51.9	0	0	0	109.3	N45	N45-N48 CarbonylContact O-C 3.57Å; N45-N48 PolarHBondContact O-N 3.41Å
49	P	70.8	Confident	71.2	Confident	60 Å²	60	88.5 Å²	88.5	39%	0.39	45%	0.453	S	S	.	.			trans	-62.2	140	-177.4	25	-33.5	0	0	0	108.9	V41 N45 R51	V41-P49 HydrophobicContact CG2-CB 3.95Å; N45-P49 WeakPolarHBondContact O-CA 3.36Å; P49-R51 PolarHBondContact O-N 3.42Å
50	P	70.3	Confident	71.6	Confident	54 Å²	54	92 Å²	92	35%	0.351	48%	0.476	S	S	.	.			trans	-57.2	133.6	178.7	21	-31.1	0	0	0	109.8	C39 N45 C52	C39-P50 HydrophobicContact CB-CB 4.33Å; C39-P50 HydrophobicContact CB-CG 3.94Å; N45-P50 WeakPolarHBondContact ND2-CD 2.99Å; P50-C52 VanDerWaalsContact C-N 3.34Å; P50-C52 PolarHBondContact O-N 3.15Å
51	R	71.6	Confident	72.2	Confident	245 Å²	245	90.2 Å²	90.2	93%	0.925	47%	0.466	S	S	*	.			trans	-68	97.9	170.5	-71.6	-170.3	-177.5	-177.5	1.6	108.3	P49 R53	P49-R51 PolarHBondContact O-N 3.42Å; R51-R53 PolarHBondContact O-N 2.87Å
52	C	67.2	Low	72.7	Confident	72 Å²	72	88.2 Å²	88.2	49%	0.486	46%	0.455	S	S	.	.			trans	-53.1	112.9	172.4	-47.3	0	0	0	0	108.9	C39 P50 K54	C39-C52 HydrophobicContact CB-CB 3.74Å; C39-C52 WeakPolarHBondContact CB-SG 2.94Å; C39-C52 WeakPolarHBondContact SG-CB 3.42Å; C39-C52 CovalentContact SG-SG 1.99Å; C39-C52 PolarHBondContact SG-SG 3.17Å; P50-C52 VanDerWaalsContact C-N 3.34Å; P50-C52 PolarHBondContact O-N 3.15Å; C52-K54 PolarHBondContact O-N 2.93Å
53	R	62.4	Low	72.8	Confident	212 Å²	212	90.7 Å²	90.7	80%	0.8	47%	0.467	S	S	*	.			trans	-62.8	136.5	163	-80.2	-174.5	162.7	-170.3	-4.4	106.7	R51 T55	R51-R53 PolarHBondContact O-N 2.87Å; R53-T55 HydrophobicContact CB-CG2 4.47Å; R53-T55 VanDerWaalsContact CB-OG1 3.22Å; R53-T55 WeakPolarHBondContact CB-OG1 3.27Å; R53-T55 PolarHBondContact O-N 2.71Å; R53-T55 PolarHBondContact O-OG1 3.47Å
54	K	62.6	Low	73.1	Confident	214 Å²	214	90.8 Å²	90.8	93%	0.93	47%	0.468	S	S	*	.			trans	-68.3	27.2	167.2	-68.6	-174.5	177.7	-178.3	0	111.8	C52 G56	C52-K54 PolarHBondContact O-N 2.93Å; K54-G56 PolarHBondContact O-N 2.83Å
55	T	56.4	Low	73.4	Confident	78 Å²	78	93.6 Å²	93.6	48%	0.479	47%	0.472	S	S	.	.			trans	-62.1	107.5	162.6	25.5	0	0	0	0	104.8	R53 E57	R53-T55 HydrophobicContact CB-CG2 4.47Å; R53-T55 VanDerWaalsContact CB-OG1 3.22Å; R53-T55 WeakPolarHBondContact CB-OG1 3.27Å; R53-T55 PolarHBondContact O-N 2.71Å; R53-T55 PolarHBondContact O-OG1 3.47Å; T55-E57 PolarHBondContact O-N 3.22Å
56	G	61.3	Low	73.4	Confident	78 Å²	78	101.7 Å²	101.7	80%	0.804	51%	0.51	S	S	*	.			trans	-66.8	27.6	-178.9	0	0	0	0	0	113.7	K54 C58	K54-G56 PolarHBondContact O-N 2.83Å; G56-C58 PolarHBondContact O-N 3.46Å
57	E	67.5	Low	73.2	Confident	136 Å²	136	102.3 Å²	102.3	64%	0.636	52%	0.523	S	S	*	.			trans	-76	114.5	167.7	-62.3	-172	179.1	0	0	105.9	T55	T55-E57 PolarHBondContact O-N 3.22Å
58	C	78.3	Confident	74.1	Confident	48 Å²	48	102.6 Å²	102.6	32%	0.324	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	143.7	169.7	64.2	0	0	0	0	108.7	C35 V36 G56	C35-C58 WeakPolarHBondContact CA-SG 3.03Å; C35-C58 HydrophobicContact CB-CB 3.78Å; C35-C58 WeakPolarHBondContact CB-SG 3.46Å; C35-C58 WeakPolarHBondContact SG-CB 3.44Å; C35-C58 CovalentContact SG-SG 2.03Å; C35-C58 PolarHBondContact SG-SG 3.05Å; V36-C58 WeakPolarHBondContact O-CB 3.48Å; G56-C58 PolarHBondContact O-N 3.46Å
59	R	80.9	Confident	74.8	Confident	183 Å²	183	96.5 Å²	96.5	69%	0.691	49%	0.487	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.9	-177.5	-61.2	-174.4	-177.6	-153.6	0.1	109.6	R34 V36 G61	R34-R59 CarbonylContact O-C 3.48Å; V36-R59 PolarHBondContact N-O 3.1Å; R59-G61 PolarHBondContact O-N 3.15Å
60	P	84.5	Confident	75.5	Confident	90 Å²	90	94.5 Å²	94.5	58%	0.584	47%	0.472	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.5	136.1	168.9	-22.5	33.2	0	0	0	110.8	F32 T33 R34	F32-P60 HydrophobicContact CE2-CB 4.42Å; F32-P60 HydrophobicContact CZ-CB 3.95Å; T33-P60 WeakPolarHBondContact O-CA 3.41Å; R34-P60 WeakPolarHBondContact O-CA 3.04Å
61	G	86	Confident	76.2	Confident	12 Å²	12	93.7 Å²	93.7	12%	0.124	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.9	-169.9	-177.7	0	0	0	0	0	113.2	T33 R59	T33-G61 PolarHBondContact N-O 3.49Å; T33-G61 PolarHBondContact O-N 3.19Å; T33-G61 VanDerWaalsContact O-O 3.11Å; R59-G61 PolarHBondContact O-N 3.15Å
62	C	88	Confident	76.8	Confident	19 Å²	19	84.6 Å²	84.6	13%	0.128	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	132.6	-179.7	-59.1	0	0	0	0	111.2	C26 E30 R70	C26-C62 WeakPolarHBondContact CA-SG 3.1Å; C26-C62 HydrophobicContact CB-CB 3.75Å; C26-C62 WeakPolarHBondContact CB-SG 3.12Å; C26-C62 VanDerWaalsContact SG-CA 3.56Å; C26-C62 WeakPolarHBondContact SG-CB 3.27Å; C26-C62 CovalentContact SG-SG 2.04Å; C26-C62 PolarHBondContact SG-SG 3.2Å; E30-C62 HydrophobicContact CB-CB 4.37Å; E30-C62 WeakPolarHBondContact OE2-CB 3.26Å; C62-R70 PolarHBondContact O-NH2 3.05Å
63	M	85.6	Confident	77.5	Confident	51 Å²	51	81.9 Å²	81.9	25%	0.251	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.6	176.4	-175.2	174.6	134.2	0	0	109.7	E30 Y31 T33	E30-M63 CarbonylContact C-O 3.1Å; E30-M63 VanDerWaalsContact CA-O 3.3Å; E30-M63 WeakPolarHBondContact CA-O 3.19Å; Y31-M63 VanDerWaalsContact CD1-O 3.31Å; Y31-M63 WeakPolarHBondContact CD1-O 3.5Å; Y31-M63 HydrophobicContact CE1-CB 4.24Å; Y31-M63 HydrophobicContact CE1-CE 4.25Å; Y31-M63 HydrophobicContact CE1-CG 4.32Å; Y31-M63 PolarHBondContact N-O 2.81Å; Y31-M63 PolarHBondContact O-N 2.89Å; Y31-M63 WeakPolarHBondContact OH-CE 3.29Å; T33-M63 HydrophobicContact CG2-CB 3.72Å; T33-M63 HydrophobicContact CG2-SD 4.36Å
64	C	85.3	Confident	78.4	Confident	18 Å²	18	76.6 Å²	76.6	12%	0.122	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	141.5	174.3	-61.3	0	0	0	0	110.5	Y31 Y68 R70 C80	Y31-C64 WeakPolarHBondContact CE1-O 3.46Å; C64-Y68 WeakPolarHBondContact CB-O 3.45Å; C64-R70 VanDerWaalsContact SG-CG 3.52Å; C64-R70 PolarHBondContact SG-N 3.37Å; C64-C80 WeakPolarHBondContact CA-SG 3.45Å; C64-C80 HydrophobicContact CB-CB 3.84Å; C64-C80 WeakPolarHBondContact CB-SG 3.5Å; C64-C80 WeakPolarHBondContact SG-CB 3.49Å; C64-C80 CovalentContact SG-SG 2.03Å; C64-C80 PolarHBondContact SG-SG 3.39Å
65	R	83.9	Confident	79.3	Confident	137 Å²	137	69.5 Å²	69.5	52%	0.517	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-65.6	160.6	171.6	-68.3	172.9	-177.5	-114.6	-0.3	110.4	G29 E30 Y31 G67 Y68	G29-R65 WeakPolarHBondContact O-CB 3.48Å; G29-R65 WeakPolarHBondContact O-CG 3.23Å; G29-R65 PolarHBondContact O-N 2.92Å; E30-R65 PolarHBondContact O-NE 2.71Å; E30-R65 PolarHBondContact O-NH2 3.21Å; Y31-R65 HydrophobicContact CD1-CG 3.79Å; R65-G67 PolarHBondContact O-N 2.04Å; R65-Y68 HydrophobicContact CB-CD2 3.95Å; R65-Y68 WeakPolarHBondContact O-CB 3.41Å; R65-Y68 PolarHBondContact O-N 3.29Å
66	E	75.6	Confident	80.3	Confident	195 Å²	195	70 Å²	70	91%	0.911	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	134.2	172.1	-170.1	169.6	-162.3	0	0	111	Y68	E66-Y68 VanDerWaalsContact C-N 3.3Å
67	G	69.5	Low	81.1	Confident	43 Å²	43	73 Å²	73	44%	0.443	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-1.5	-173.3	0	0	0	0	0	115.5	R65 F83	R65-G67 PolarHBondContact O-N 2.04Å; G67-F83 WeakPolarHBondContact O-CD2 3.38Å
68	Y	81.5	Confident	81.9	Confident	76 Å²	76	66.8 Å²	66.8	30%	0.298	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150.1	172.4	-64.9	-104.2	0	0	0	110.9	C64 R65 E66 V81 K82	C64-Y68 WeakPolarHBondContact CB-O 3.45Å; R65-Y68 HydrophobicContact CB-CD2 3.95Å; R65-Y68 WeakPolarHBondContact O-CB 3.41Å; R65-Y68 PolarHBondContact O-N 3.29Å; E66-Y68 VanDerWaalsContact C-N 3.3Å; Y68-V81 CarbonylContact C-O 3.55Å; Y68-V81 VanDerWaalsContact CA-O 3.23Å; Y68-V81 WeakPolarHBondContact CA-O 3.3Å; Y68-K82 HydrophobicContact CD1-CG 4.07Å; Y68-K82 HydrophobicContact CE1-CG 3.63Å; Y68-K82 WeakPolarHBondContact OH-CE 3.47Å
69	V	82.2	Confident	82.3	Confident	6 Å²	6	68 Å²	68	4%	0.036	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	154.8	173.4	-70.7	0	0	0	0	109.8	V41 L46 C80 V81 F83 C86	V41-V69 HydrophobicContact CG1-CG1 4.46Å; L46-V69 HydrophobicContact CD2-CG1 4.26Å; V69-C80 CarbonylContact O-C 3.49Å; V69-C80 WeakPolarHBondContact O-CA 3.04Å; V69-V81 PolarHBondContact N-O 3.15Å; V69-V81 PolarHBondContact O-N 2Å; V69-F83 HydrophobicContact CG1-CD1 4.29Å; V69-F83 HydrophobicContact CG1-CD2 4.03Å; V69-F83 HydrophobicContact CG1-CE1 3.77Å; V69-F83 HydrophobicContact CG1-CE2 3.44Å; V69-F83 VanDerWaalsContact CG1-CE2 3.44Å; V69-F83 HydrophobicContact CG1-CG 4.42Å; V69-F83 HydrophobicContact CG1-CZ 3.29Å; V69-F83 HydrophobicContact CG2-CG 4.45Å; V69-C86 WeakPolarHBondContact CG2-SG 3.37Å
70	R	85.6	Confident	82.6	Confident	17 Å²	17	59.7 Å²	59.7	6%	0.064	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	140.8	175.8	-76.1	-163.5	174.6	-67.1	-8.5	109.2	E30 V41 G42 C43 C62 C64 V72 P76 S78	E30-R70 IonicContact OE1-CZ 2.71Å; E30-R70 IonicContact OE1-NH1 3.81Å; E30-R70 PolarHBondContact OE1-NH1 3.36Å; E30-R70 IonicContact OE1-NH2 3.71Å; E30-R70 PolarHBondContact OE1-NH2 3.46Å; V41-R70 PolarHBondContact O-N 3.07Å; G42-R70 CarbonylContact C-O 3.4Å; G42-R70 VanDerWaalsContact C-O 3.28Å; G42-R70 WeakPolarHBondContact CA-O 3.31Å; C43-R70 PolarHBondContact N-O 3.42Å; C62-R70 PolarHBondContact O-NH2 3.05Å; C64-R70 VanDerWaalsContact SG-CG 3.52Å; C64-R70 PolarHBondContact SG-N 3.37Å; R70-V72 VanDerWaalsContact C-N 3.27Å; R70-V72 PolarHBondContact O-N 3.24Å; R70-P76 PolarHBondContact NH1-O 3.11Å; R70-P76 PolarHBondContact NH2-O 3.23Å; R70-S78 PolarHBondContact NH1-O 3.25Å
71	L	83.9	Confident	82.6	Confident	37 Å²	37	55.8 Å²	55.8	19%	0.194	31%	0.311	C	S	.	.	S	Bend	trans	-63.1	-40.3	175.7	179.5	61.9	0	0	0	111.5	C43 P79 V81	C43-L71 HydrophobicContact CB-CD1 4.37Å; C43-L71 WeakPolarHBondContact CB-O 3.47Å; L71-P79 HydrophobicContact CB-CG 4.09Å; L71-P79 HydrophobicContact CD2-CG 4.07Å; L71-P79 PolarHBondContact N-O 3.2Å; L71-V81 HydrophobicContact CB-CG1 4.45Å; L71-V81 HydrophobicContact CB-CG2 4.46Å; L71-V81 HydrophobicContact CD1-CG2 4.35Å
72	V	84.3	Confident	82.2	Confident	55 Å²	55	59.8 Å²	59.8	33%	0.333	33%	0.325	S	S	.	.	S	Bend	trans	-129.6	113.2	177.9	-178.4	0	0	0	0	108.1	R70 S74 D75 S78	R70-V72 VanDerWaalsContact C-N 3.27Å; R70-V72 PolarHBondContact O-N 3.24Å; V72-S74 VanDerWaalsContact C-N 3.26Å; V72-S74 WeakPolarHBondContact CG1-OG 3.46Å; V72-S74 PolarHBondContact O-N 3.49Å; V72-D75 HydrophobicContact CB-CB 4.16Å; V72-D75 HydrophobicContact CG1-CB 4.13Å; V72-D75 PolarHBondContact O-N 2.69Å; V72-S78 PolarHBondContact N-OG 2.98Å; V72-S78 PolarHBondContact O-OG 2.72Å
73	S	83	Confident	81.3	Confident	15 Å²	15	62.7 Å²	62.7	11%	0.105	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-35.2	-175	72.8	0	0	0	0	112.3	P40 D44 N45 D75	P40-S73 WeakPolarHBondContact CB-O 3.38Å; P40-S73 WeakPolarHBondContact CG-O 3.15Å; D44-S73 VanDerWaalsContact CG-N 3.33Å; D44-S73 VanDerWaalsContact CG-OG 3.26Å; D44-S73 WeakPolarHBondContact OD1-CB 3.34Å; D44-S73 PolarHBondContact OD1-N 3.37Å; D44-S73 PolarHBondContact OD1-OG 2.89Å; D44-S73 WeakPolarHBondContact OD2-CB 3.07Å; D44-S73 PolarHBondContact OD2-N 2.97Å; D44-S73 PolarHBondContact OD2-OG 2.74Å; N45-S73 VanDerWaalsContact CG-CB 3.5Å; N45-S73 WeakPolarHBondContact ND2-CB 3.5Å; N45-S73 PolarHBondContact ND2-OG 2.83Å; S73-D75 VanDerWaalsContact C-N 3.28Å; S73-D75 PolarHBondContact O-N 2.84Å
74	S	80.3	Confident	80.3	Confident	100 Å²	100	64.7 Å²	64.7	70%	0.699	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.5	177.8	60.5	0	0	0	0	113.9	V72	V72-S74 VanDerWaalsContact C-N 3.26Å; V72-S74 WeakPolarHBondContact CG1-OG 3.46Å; V72-S74 PolarHBondContact O-N 3.49Å
75	D	82.1	Confident	79.5	Confident	65 Å²	65	66.7 Å²	66.7	35%	0.348	36%	0.358	S	S	.	.			trans	-108.3	108.9	-179.5	-178.7	8.4	0	0	0	111.1	V72 S73 N77 S78	V72-D75 HydrophobicContact CB-CB 4.16Å; V72-D75 HydrophobicContact CG1-CB 4.13Å; V72-D75 PolarHBondContact O-N 2.69Å; S73-D75 VanDerWaalsContact C-N 3.28Å; S73-D75 PolarHBondContact O-N 2.84Å; D75-N77 PolarHBondContact O-N 3.43Å; D75-N77 WeakPolarHBondContact OD1-CB 3.46Å; D75-N77 PolarHBondContact OD1-N 2.84Å; D75-S78 WeakPolarHBondContact O-CB 3.34Å; D75-S78 PolarHBondContact O-N 3Å; D75-S78 VanDerWaalsContact O-N 3.11Å; D75-S78 PolarHBondContact O-OG 3.03Å
76	P	76.6	Confident	78.9	Confident	89 Å²	89	60.8 Å²	60.8	58%	0.578	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-11.5	178.7	29.9	-35.7	0	0	0	113.8	R70	R70-P76 PolarHBondContact NH1-O 3.11Å; R70-P76 PolarHBondContact NH2-O 3.23Å
77	N	79.7	Confident	77.9	Confident	142 Å²	142	52.5 Å²	52.5	76%	0.759	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-4.9	174.8	-58.7	-55.8	0	0	0	112.6	D75	D75-N77 PolarHBondContact O-N 3.43Å; D75-N77 WeakPolarHBondContact OD1-CB 3.46Å; D75-N77 PolarHBondContact OD1-N 2.84Å
78	S	84.2	Confident	77	Confident	5 Å²	5	56.8 Å²	56.8	4%	0.035	31%	0.313	C	S	.	.	S	Bend	trans	-63.3	141.9	179	69	0	0	0	0	110.7	R70 V72 D75	R70-S78 PolarHBondContact NH1-O 3.25Å; V72-S78 PolarHBondContact N-OG 2.98Å; V72-S78 PolarHBondContact O-OG 2.72Å; D75-S78 WeakPolarHBondContact O-CB 3.34Å; D75-S78 PolarHBondContact O-N 3Å; D75-S78 VanDerWaalsContact O-N 3.11Å; D75-S78 PolarHBondContact O-OG 3.03Å
79	P	87	Confident	75.5	Confident	73 Å²	73	58.3 Å²	58.3	47%	0.474	32%	0.323	S	S	.	.			trans	-64	143.5	-176.4	25.9	-33.9	0	0	0	110.9	L71 V81	L71-P79 HydrophobicContact CB-CG 4.09Å; L71-P79 HydrophobicContact CD2-CG 4.07Å; L71-P79 PolarHBondContact N-O 3.2Å; P79-V81 HydrophobicContact CG-CG1 4.48Å; P79-V81 PolarHBondContact O-N 3.18Å
80	C	85.8	Confident	73.6	Confident	9 Å²	9	62.1 Å²	62.1	6%	0.061	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.3	167.4	-68.7	0	0	0	0	109.2	E30 C64 V69	E30-C80 HydrophobicContact CG-CB 3.85Å; E30-C80 WeakPolarHBondContact CG-SG 3.36Å; E30-C80 PolarHBondContact OE1-SG 2.89Å; C64-C80 WeakPolarHBondContact CA-SG 3.45Å; C64-C80 HydrophobicContact CB-CB 3.84Å; C64-C80 WeakPolarHBondContact CB-SG 3.5Å; C64-C80 WeakPolarHBondContact SG-CB 3.49Å; C64-C80 CovalentContact SG-SG 2.03Å; C64-C80 PolarHBondContact SG-SG 3.39Å; V69-C80 CarbonylContact O-C 3.49Å; V69-C80 WeakPolarHBondContact O-CA 3.04Å
81	V	83.9	Confident	71.5	Confident	8 Å²	8	65.5 Å²	65.5	5%	0.048	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	156.5	-179.9	-63.6	0	0	0	0	109.2	C43 Y68 V69 L71 P79 E85	C43-V81 VanDerWaalsContact SG-CG2 3.55Å; Y68-V81 CarbonylContact C-O 3.55Å; Y68-V81 VanDerWaalsContact CA-O 3.23Å; Y68-V81 WeakPolarHBondContact CA-O 3.3Å; V69-V81 PolarHBondContact N-O 3.15Å; V69-V81 PolarHBondContact O-N 2Å; L71-V81 HydrophobicContact CB-CG1 4.45Å; L71-V81 HydrophobicContact CB-CG2 4.46Å; L71-V81 HydrophobicContact CD1-CG2 4.35Å; P79-V81 HydrophobicContact CG-CG1 4.48Å; P79-V81 PolarHBondContact O-N 3.18Å; V81-E85 HydrophobicContact CB-CB 4.06Å; V81-E85 WeakPolarHBondContact CB-OE2 3.45Å
82	K	78.2	Confident	69.3	Low	95 Å²	95	67.4 Å²	67.4	41%	0.413	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	149.7	171.1	-66.4	178	-178.4	169	0	108.7	Y68 V84 E85	Y68-K82 HydrophobicContact CD1-CG 4.07Å; Y68-K82 HydrophobicContact CE1-CG 3.63Å; Y68-K82 WeakPolarHBondContact OH-CE 3.47Å; K82-V84 HydrophobicContact CB-CG2 3.83Å; K82-V84 HydrophobicContact CD-CG2 4.5Å; K82-V84 PolarHBondContact O-N 3.25Å; K82-V84 VanDerWaalsContact O-N 3.09Å; K82-E85 HydrophobicContact CB-CG 4.29Å; K82-E85 PolarHBondContact N-OE2 2.79Å; K82-E85 WeakPolarHBondContact O-CB 3.26Å; K82-E85 PolarHBondContact O-N 3.1Å
83	F	69.9	Low	67	Low	80 Å²	80	69.3 Å²	69.3	35%	0.351	41%	0.413	S	S	.	.	H	α-helix	trans	-47.3	-44.7	175.5	-87.1	-95.5	0	0	0	112.5	L46 G67 V69 E85 C86 Q101	L46-F83 HydrophobicContact CD2-CD1 3.59Å; L46-F83 HydrophobicContact CD2-CE1 3.14Å; L46-F83 HydrophobicContact CD2-CZ 4.11Å; G67-F83 WeakPolarHBondContact O-CD2 3.38Å; V69-F83 HydrophobicContact CG1-CD1 4.29Å; V69-F83 HydrophobicContact CG1-CD2 4.03Å; V69-F83 HydrophobicContact CG1-CE1 3.77Å; V69-F83 HydrophobicContact CG1-CE2 3.44Å; V69-F83 VanDerWaalsContact CG1-CE2 3.44Å; V69-F83 HydrophobicContact CG1-CG 4.42Å; V69-F83 HydrophobicContact CG1-CZ 3.29Å; V69-F83 HydrophobicContact CG2-CG 4.45Å; F83-E85 PolarHBondContact O-N 3.07Å; F83-E85 VanDerWaalsContact O-N 3.09Å; F83-C86 WeakPolarHBondContact O-CB 3Å; F83-C86 PolarHBondContact O-N 2.04Å; F83-C86 VanDerWaalsContact O-N 3.08Å; F83-Q101 PolarHBondContact O-OE1 2.97Å
84	V	64.8	Low	65.2	Low	93 Å²	93	75.1 Å²	75.1	56%	0.564	45%	0.45	S	S	*	.	H	α-helix	trans	-58.3	-21.7	178.7	-61.2	0	0	0	0	115	K82	K82-V84 HydrophobicContact CB-CG2 3.83Å; K82-V84 HydrophobicContact CD-CG2 4.5Å; K82-V84 PolarHBondContact O-N 3.25Å; K82-V84 VanDerWaalsContact O-N 3.09Å
85	E	68.7	Low	63.4	Low	61 Å²	61	77.2 Å²	77.2	29%	0.285	45%	0.454	S	S	.	.	H	α-helix	trans	-87.4	-21.6	-178.8	-67.7	161.2	-156.3	0	0	112	V81 K82 F83 G87 Q88 Q89	V81-E85 HydrophobicContact CB-CB 4.06Å; V81-E85 WeakPolarHBondContact CB-OE2 3.45Å; K82-E85 HydrophobicContact CB-CG 4.29Å; K82-E85 PolarHBondContact N-OE2 2.79Å; K82-E85 WeakPolarHBondContact O-CB 3.26Å; K82-E85 PolarHBondContact O-N 3.1Å; F83-E85 PolarHBondContact O-N 3.07Å; F83-E85 VanDerWaalsContact O-N 3.09Å; E85-G87 PolarHBondContact O-N 3.34Å; E85-Q88 PolarHBondContact O-N 3.06Å; E85-Q89 PolarHBondContact O-N 2.03Å
86	C	70.2	Confident	61.7	Low	12 Å²	12	80.9 Å²	80.9	8%	0.081	47%	0.471	C	S	.	.	H	α-helix	trans	-56.9	-39.3	176.4	-68.9	0	0	0	0	112	C43 L46 V69 F83 Q88	C43-C86 HydrophobicContact CB-CB 3.56Å; C43-C86 WeakPolarHBondContact CB-SG 3.22Å; C43-C86 VanDerWaalsContact SG-CA 3.51Å; C43-C86 WeakPolarHBondContact SG-CB 3.2Å; C43-C86 CovalentContact SG-SG 2.03Å; C43-C86 PolarHBondContact SG-SG 2.86Å; L46-C86 HydrophobicContact CD1-CB 4.01Å; V69-C86 WeakPolarHBondContact CG2-SG 3.37Å; F83-C86 WeakPolarHBondContact O-CB 3Å; F83-C86 PolarHBondContact O-N 2.04Å; F83-C86 VanDerWaalsContact O-N 3.08Å; C86-Q88 VanDerWaalsContact C-N 3.32Å; C86-Q88 PolarHBondContact O-N 2.75Å
87	G	54.3	Low	59.7	Low	22 Å²	22	79.8 Å²	79.8	23%	0.227	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-12.3	178.1	0	0	0	0	0	114.8	E85	E85-G87 PolarHBondContact O-N 3.34Å
88	Q	51.6	Low	57.8	Low	133 Å²	133	83.8 Å²	83.8	62%	0.621	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-31.6	-178.8	-66.1	-170	-19.7	0	0	112.3	E85 C86 S90 S91	E85-Q88 PolarHBondContact O-N 3.06Å; C86-Q88 VanDerWaalsContact C-N 3.32Å; C86-Q88 PolarHBondContact O-N 2.75Å; Q88-S90 PolarHBondContact O-N 3.06Å; Q88-S91 WeakPolarHBondContact O-CB 3.06Å; Q88-S91 PolarHBondContact O-N 3.3Å; Q88-S91 PolarHBondContact O-OG 2.7Å; Q88-S91 VanDerWaalsContact O-OG 3.07Å
89	Q	49.2	Very low	55.5	Low	107 Å²	107	85.8 Å²	85.8	50%	0.5	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-6.4	-177.1	-58.8	-170.9	20.7	0	0	113.9	E85 S91	E85-Q89 PolarHBondContact O-N 2.03Å; Q89-S91 VanDerWaalsContact C-N 3.34Å
90	S	42.5	Very low	53.2	Low	86 Å²	86	82.8 Å²	82.8	60%	0.601	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	4.3	171.3	-58.6	0	0	0	0	114	Q88 G92	Q88-S90 PolarHBondContact O-N 3.06Å; S90-G92 PolarHBondContact O-N 2.95Å
91	S	41.8	Very low	51.3	Low	89 Å²	89	85.8 Å²	85.8	62%	0.622	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	19.6	-176.1	-58.4	0	0	0	0	115.2	Q88 Q89	Q88-S91 WeakPolarHBondContact O-CB 3.06Å; Q88-S91 PolarHBondContact O-N 3.3Å; Q88-S91 PolarHBondContact O-OG 2.7Å; Q88-S91 VanDerWaalsContact O-OG 3.07Å; Q89-S91 VanDerWaalsContact C-N 3.34Å
92	G	37.2	Very low	49.5	Very low	76 Å²	76	87.1 Å²	87.1	78%	0.784	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-5.4	177.8	0	0	0	0	0	115.7	S90	S90-G92 PolarHBondContact O-N 2.95Å
93	N	36.1	Very low	48.4	Very low	96 Å²	96	90.7 Å²	90.7	51%	0.513	53%	0.529	S	S	.	.			trans	-154.4	115	-178	-161.9	2.9	0	0	0	111.6	D95	N93-D95 PolarHBondContact O-N 3.43Å
94	P	44.6	Very low	48.3	Very low	137 Å²	137	88.3 Å²	88.3	89%	0.89	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	7.5	-177.3	29.9	-32.2	0	0	0	115
95	D	43.6	Very low	48.4	Very low	144 Å²	144	86.3 Å²	86.3	77%	0.77	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.2	23.3	-167.2	-154.1	29.4	0	0	0	116.2	N93	N93-D95 PolarHBondContact O-N 3.43Å
96	I	47	Very low	48.4	Very low	141 Å²	141	87.2 Å²	87.2	72%	0.723	53%	0.533	S	S	*	.			trans	-125	100.8	167.3	-53.9	-175.5	0	0	0	109.1
97	G	34.3	Very low	48.5	Very low	67 Å²	67	89.7 Å²	89.7	69%	0.691	54%	0.544	S	S	*	.			trans	-65.8	179.7	175.8	0	0	0	0	0	114.5
98	R	38.3	Very low	49.8	Very low	226 Å²	226	90 Å²	90	85%	0.853	54%	0.539	S	S	*	.			trans	84.2	51.2	170.7	-68	178.4	153.4	-174.9	-6	117.2	D47	D47-R98 VanDerWaalsContact OD2-C 3.28Å
99	G	36.4	Very low	51.2	Low	46 Å²	46	91.5 Å²	91.5	47%	0.474	54%	0.539	S	S	.	.				77.9	-177.2	107	0	0	0	0	0	120.5	D47	D47-G99 WeakPolarHBondContact OD2-CA 3.42Å; D47-G99 PolarHBondContact OD2-N 2.98Å
100	G	39.6	Very low	52.5	Low	11 Å²	11	90 Å²	90	11%	0.113	53%	0.529	C	S	.	.	S	Bend	trans	108.9	-9.7	-177.8	0	0	0	0	0	117.4	D47	D47-G100 VanDerWaalsContact CG-N 3.34Å; D47-G100 WeakPolarHBondContact OD1-CA 3.33Å; D47-G100 PolarHBondContact OD1-N 2.87Å; D47-G100 PolarHBondContact OD2-N 3.28Å
101	Q	45.1	Very low	54	Low	72 Å²	72	87 Å²	87	34%	0.336	51%	0.507	S	S	.	.	S	Bend	trans	-172.9	78.5	163.3	-106.2	167.2	26.8	0	0	109.6	F83 K103	F83-Q101 PolarHBondContact O-OE1 2.97Å; Q101-K103 PolarHBondContact O-N 2.79Å
102	G	46	Very low	55.2	Low	36 Å²	36	89.1 Å²	89.1	37%	0.371	51%	0.511	S	S	.	.			trans	-57.4	136.4	172.3	0	0	0	0	0	109.8	C104	G102-C104 PolarHBondContact O-N 3.3Å
103	K	55.4	Low	56.9	Low	170 Å²	170	88.8 Å²	88.8	74%	0.739	50%	0.496	S	S	*	.			trans	-63	77.6	163.3	-72.3	177.8	-177.3	173.5	0	107.9	Q101	Q101-K103 PolarHBondContact O-N 2.79Å
104	C	67.7	Low	59	Low	30 Å²	30	86.4 Å²	86.4	20%	0.203	48%	0.481	C	S	.	.			trans	-57.2	139.1	166	-61.6	0	0	0	0	107.3	G102 E108 W110 C139	G102-C104 PolarHBondContact O-N 3.3Å; C104-E108 HydrophobicContact CB-CB 3.6Å; C104-W110 PolarHBondContact SG-N 3.2Å; C104-C139 WeakPolarHBondContact CA-SG 3.4Å; C104-C139 HydrophobicContact CB-CB 3.76Å; C104-C139 WeakPolarHBondContact CB-SG 3.38Å; C104-C139 VanDerWaalsContact SG-CA 3.54Å; C104-C139 WeakPolarHBondContact SG-CB 3.29Å; C104-C139 CovalentContact SG-SG 2.04Å; C104-C139 PolarHBondContact SG-SG 2.9Å
105	A	67.7	Low	60.6	Low	51 Å²	51	82.2 Å²	82.2	42%	0.421	46%	0.455	S	S	.	.			trans	-57.3	165.5	176.4	0	0	0	0	0	110.8	E107 E108	A105-E107 PolarHBondContact O-N 2.99Å; A105-E108 HydrophobicContact CB-CB 4.46Å; A105-E108 HydrophobicContact CB-CG 4.19Å; A105-E108 PolarHBondContact N-OE2 3.13Å; A105-E108 PolarHBondContact O-N 3.29Å
106	A	68.4	Low	62.2	Low	80 Å²	80	79.4 Å²	79.4	66%	0.661	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.1	-176	0	0	0	0	0	113.7	K142	A106-K142 WeakPolarHBondContact O-CE 3.45Å; A106-K142 PolarHBondContact O-NZ 2.87Å
107	E	72.3	Confident	63.7	Low	64 Å²	64	74.2 Å²	74.2	30%	0.299	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	11.3	179.8	-53	-47.4	146.9	0	0	114.5	A105 K142 Y145 C157	A105-E107 PolarHBondContact O-N 2.99Å; E107-K142 WeakPolarHBondContact O-CG 3.29Å; E107-K142 PolarHBondContact O-N 2.79Å; E107-K142 IonicContact OE2-NZ 2.85Å; E107-Y145 HydrophobicContact CB-CD1 3.83Å; E107-Y145 HydrophobicContact CB-CE1 3.89Å; E107-Y145 HydrophobicContact CB-CG 4.22Å; E107-Y145 VanDerWaalsContact CD-OH 3.31Å; E107-Y145 HydrophobicContact CG-CD1 4.02Å; E107-Y145 HydrophobicContact CG-CE1 3.58Å; E107-Y145 WeakPolarHBondContact OE2-CE2 3.4Å; E107-Y145 PolarHBondContact OE2-OH 3.07Å; E107-C157 HydrophobicContact CB-CB 3.89Å
108	E	81.3	Confident	65.7	Low	28 Å²	28	72.9 Å²	72.9	13%	0.131	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	155.5	173.9	-71.6	-177	142.4	0	0	110.8	C104 A105 C139 E140 K142 R147 C157	C104-E108 HydrophobicContact CB-CB 3.6Å; A105-E108 HydrophobicContact CB-CB 4.46Å; A105-E108 HydrophobicContact CB-CG 4.19Å; A105-E108 PolarHBondContact N-OE2 3.13Å; A105-E108 PolarHBondContact O-N 3.29Å; E108-C139 HydrophobicContact CB-CB 4.11Å; E108-C139 HydrophobicContact CG-CB 4.41Å; E108-C139 WeakPolarHBondContact OE2-CB 3.39Å; E108-E140 CarbonylContact C-O 3.2Å; E108-E140 VanDerWaalsContact CA-O 3.26Å; E108-E140 WeakPolarHBondContact CA-O 3.37Å; E108-K142 WeakPolarHBondContact O-CE 3.05Å; E108-R147 IonicContact OE1-CZ 2.72Å; E108-R147 IonicContact OE1-NH2 3.08Å; E108-R147 PolarHBondContact OE1-NH2 2.88Å; E108-C157 HydrophobicContact CG-CB 4.32Å; E108-C157 WeakPolarHBondContact CG-SG 3.36Å
109	R	80.3	Confident	67.7	Low	164 Å²	164	65.9 Å²	65.9	62%	0.619	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.1	174.8	173.9	177.9	176	170.8	-0.4	108.1	T111 C139 E140 K142	R109-T111 PolarHBondContact O-N 3.49Å; R109-C139 WeakPolarHBondContact O-CA 3.31Å; R109-E140 PolarHBondContact N-O 3.08Å; R109-E140 PolarHBondContact O-N 2.03Å; R109-K142 HydrophobicContact CB-CG 4.08Å
110	W	77.3	Confident	70	Confident	76 Å²	76	63.7 Å²	63.7	29%	0.288	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	130.1	169.2	-175.9	-91.8	0	0	0	110.1	C104 N112 P137	C104-W110 PolarHBondContact SG-N 3.2Å; W110-N112 PolarHBondContact NE1-OD1 2.03Å; W110-P137 HydrophobicContact CZ2-CB 4.1Å
111	T	73.2	Confident	71.9	Confident	23 Å²	23	63.6 Å²	63.6	14%	0.141	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.2	174.2	179.1	0	0	0	0	110	R109 C113 K114 P137 G138 E140	R109-T111 PolarHBondContact O-N 3.49Å; T111-C113 PolarHBondContact O-N 3Å; T111-C113 PolarHBondContact OG1-N 2.8Å; T111-K114 VanDerWaalsContact CG2-CA 3.45Å; T111-K114 HydrophobicContact CG2-CB 3.62Å; T111-K114 HydrophobicContact CG2-CG 4.43Å; T111-P137 WeakPolarHBondContact O-CA 2.88Å; T111-G138 WeakPolarHBondContact CG2-O 2.54Å; T111-G138 PolarHBondContact N-O 3.19Å; T111-G138 PolarHBondContact O-N 3.13Å; T111-E140 WeakPolarHBondContact CB-OE1 3.35Å; T111-E140 HydrophobicContact CG2-CB 3.83Å; T111-E140 HydrophobicContact CG2-CG 3.55Å; T111-E140 WeakPolarHBondContact CG2-OE2 2.88Å
112	N	67.7	Low	73.5	Confident	133 Å²	133	65 Å²	65	71%	0.711	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	-10.6	173.4	-66.1	-18.3	0	0	0	111.9	W110	W110-N112 PolarHBondContact NE1-OD1 2.03Å
113	C	73.2	Confident	75	Confident	70 Å²	70	64.5 Å²	64.5	47%	0.473	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	68.6	-175.6	-171.2	0	0	0	0	109	T111 S115 C135	T111-C113 PolarHBondContact O-N 3Å; T111-C113 PolarHBondContact OG1-N 2.8Å; C113-S115 PolarHBondContact O-N 3.18Å; C113-C135 WeakPolarHBondContact CA-SG 3.48Å; C113-C135 HydrophobicContact CB-CB 3.75Å; C113-C135 WeakPolarHBondContact CB-SG 3.06Å; C113-C135 WeakPolarHBondContact SG-CB 3.43Å; C113-C135 CovalentContact SG-SG 2.03Å; C113-C135 PolarHBondContact SG-SG 2.85Å
114	K	79.9	Confident	75.9	Confident	46 Å²	46	59.4 Å²	59.4	20%	0.2	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	127.7	171.6	-177.8	-179.8	174.9	169	0	108.7	T111 N116 C135 Q136 C139 E140	T111-K114 VanDerWaalsContact CG2-CA 3.45Å; T111-K114 HydrophobicContact CG2-CB 3.62Å; T111-K114 HydrophobicContact CG2-CG 4.43Å; K114-N116 PolarHBondContact O-N 3.3Å; K114-C135 VanDerWaalsContact O-CA 3.29Å; K114-C135 WeakPolarHBondContact O-CA 3.44Å; K114-C135 VanDerWaalsContact O-CB 3.31Å; K114-C135 WeakPolarHBondContact O-CB 3.48Å; K114-Q136 WeakPolarHBondContact CA-O 3.43Å; K114-Q136 WeakPolarHBondContact CB-O 3.09Å; K114-Q136 PolarHBondContact N-O 3.43Å; K114-Q136 PolarHBondContact O-N 2.81Å; K114-C139 VanDerWaalsContact CD-O 3.26Å; K114-C139 WeakPolarHBondContact CD-O 3.26Å; K114-C139 WeakPolarHBondContact CE-O 3.08Å; K114-C139 PolarHBondContact NZ-O 3.4Å; K114-E140 HydrophobicContact CG-CB 4.19Å
115	S	78	Confident	76.1	Confident	48 Å²	48	64.7 Å²	64.7	34%	0.336	35%	0.354	S	S	.	.			trans	-58.4	127.9	170.4	178.1	0	0	0	0	109.8	C113 C117	C113-S115 PolarHBondContact O-N 3.18Å; S115-C117 PolarHBondContact O-N 2.8Å; S115-C117 PolarHBondContact OG-N 2.93Å; S115-C117 VanDerWaalsContact OG-N 3.1Å; S115-C117 PolarHBondContact OG-O 3.48Å; S115-C117 VanDerWaalsContact OG-O 3.06Å
116	N	76.7	Confident	76.4	Confident	85 Å²	85	72 Å²	72	46%	0.455	37%	0.372	S	S	.	.	S	Bend	trans	-65.1	-5.1	169.4	-81.4	-0.8	0	0	0	112.9	K114 P118 A133 G134	K114-N116 PolarHBondContact O-N 3.3Å; N116-P118 WeakPolarHBondContact O-CD 3.05Å; N116-A133 HydrophobicContact CB-CB 3.86Å; N116-G134 PolarHBondContact ND2-O 2.69Å; N116-G134 PolarHBondContact OD1-O 3.07Å
117	C	77.9	Confident	76.5	Confident	32 Å²	32	72 Å²	72	22%	0.216	37%	0.365	C	S	.	.	S	Bend	trans	-121.2	79.4	175.1	-61.1	0	0	0	0	110.5	S115 P128 C130	S115-C117 PolarHBondContact O-N 2.8Å; S115-C117 PolarHBondContact OG-N 2.93Å; S115-C117 VanDerWaalsContact OG-N 3.1Å; S115-C117 PolarHBondContact OG-O 3.48Å; S115-C117 VanDerWaalsContact OG-O 3.06Å; C117-P128 HydrophobicContact CB-CB 4.49Å; C117-P128 HydrophobicContact CB-CG 3.83Å; C117-C130 HydrophobicContact CB-CB 3.66Å; C117-C130 WeakPolarHBondContact CB-SG 3.38Å; C117-C130 WeakPolarHBondContact SG-CB 3.24Å; C117-C130 CovalentContact SG-SG 2Å; C117-C130 PolarHBondContact SG-SG 3.48Å
118	P	77.1	Confident	76.2	Confident	39 Å²	39	71.7 Å²	71.7	25%	0.253	37%	0.369	S	S	.	.			trans	-67.3	143.9	175.4	28	-33.1	0	0	0	110.7	N116 N123	N116-P118 WeakPolarHBondContact O-CD 3.05Å; P118-N123 PolarHBondContact O-ND2 3.04Å
119	L	81	Confident	75.7	Confident	79 Å²	79	81 Å²	81	41%	0.414	40%	0.403	S	S	.	.			trans	-71.8	135.4	163.8	-165.9	64	0	0	0	108.6	P127 V146 R147	L119-P127 HydrophobicContact CD1-CB 4.04Å; L119-V146 HydrophobicContact CB-CG1 4.24Å; L119-V146 HydrophobicContact CD2-CG1 3.66Å; L119-V146 HydrophobicContact CG-CG1 3.75Å; L119-R147 PolarHBondContact O-N 3.5Å
120	S	83.6	Confident	75	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-142.1	165.1	-175.1	68.4	0	0	0	0	110.3	N122 N123 M124 R147 S150	S120-N122 PolarHBondContact O-N 3.45Å; S120-N122 PolarHBondContact OG-N 3.47Å; S120-N123 WeakPolarHBondContact CA-OD1 3.05Å; S120-N123 PolarHBondContact N-OD1 2.59Å; S120-N123 PolarHBondContact O-N 3.46Å; S120-N123 PolarHBondContact O-OD1 3.05Å; S120-N123 PolarHBondContact OG-N 3.02Å; S120-N123 PolarHBondContact OG-OD1 3.23Å; S120-M124 PolarHBondContact O-N 2.77Å; S120-R147 CarbonylContact C-O 3.59Å; S120-R147 WeakPolarHBondContact CA-O 3.12Å; S120-R147 WeakPolarHBondContact CB-O 3.17Å; S120-S150 VanDerWaalsContact OG-CB 3.31Å; S120-S150 WeakPolarHBondContact OG-CB 3.33Å
121	C	79.9	Confident	74.2	Confident	10 Å²	10	77.5 Å²	77.5	7%	0.068	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-56.2	-34.6	175.3	-62.2	0	0	0	0	112.3	N123 R147 C163	C121-N123 PolarHBondContact O-N 3.28Å; C121-R147 PolarHBondContact N-O 2.63Å; C121-C163 WeakPolarHBondContact CA-SG 3.03Å; C121-C163 HydrophobicContact CB-CB 3.6Å; C121-C163 WeakPolarHBondContact CB-SG 3.43Å; C121-C163 WeakPolarHBondContact SG-CA 3.26Å; C121-C163 WeakPolarHBondContact SG-CB 3.47Å; C121-C163 CovalentContact SG-SG 2.04Å; C121-C163 PolarHBondContact SG-SG 2.89Å
122	N	78.7	Confident	73.5	Confident	100 Å²	100	84.1 Å²	84.1	54%	0.535	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-78.6	-15.4	-176.4	-64.8	-19	0	0	0	114.9	S120 D149	S120-N122 PolarHBondContact O-N 3.45Å; S120-N122 PolarHBondContact OG-N 3.47Å; N122-D149 PolarHBondContact ND2-OD1 3.34Å
123	N	76.8	Confident	73.1	Confident	27 Å²	27	79.6 Å²	79.6	14%	0.144	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-128.1	21.7	-177.5	70	-4.1	0	0	0	112.4	P118 S120 C121 Y126 P127 P128	P118-N123 PolarHBondContact O-ND2 3.04Å; S120-N123 WeakPolarHBondContact CA-OD1 3.05Å; S120-N123 PolarHBondContact N-OD1 2.59Å; S120-N123 PolarHBondContact O-N 3.46Å; S120-N123 PolarHBondContact O-OD1 3.05Å; S120-N123 PolarHBondContact OG-N 3.02Å; S120-N123 PolarHBondContact OG-OD1 3.23Å; C121-N123 PolarHBondContact O-N 3.28Å; N123-Y126 CarbonylContact O-C 3.54Å; N123-P127 VanDerWaalsContact O-CA 3.26Å; N123-P127 WeakPolarHBondContact O-CA 3.3Å; N123-P127 VanDerWaalsContact O-N 3.1Å; N123-P128 VanDerWaalsContact ND2-CD 3.3Å; N123-P128 WeakPolarHBondContact ND2-CD 3.33Å
124	M	74.7	Confident	72.7	Confident	63 Å²	63	78.7 Å²	78.7	31%	0.31	42%	0.422	S	S	.	.	S	Bend	trans	-69.7	-38.9	-178.6	-165.1	148.6	61.5	0	0	112.1	S120 V146 T160 C163	S120-M124 PolarHBondContact O-N 2.77Å; M124-V146 HydrophobicContact SD-CG1 4.21Å; M124-V146 HydrophobicContact SD-CG2 4.35Å; M124-T160 HydrophobicContact CE-CG2 4.27Å; M124-T160 HydrophobicContact SD-CG2 3.6Å; M124-C163 HydrophobicContact CE-CB 4.1Å
125	D	73.3	Confident	72.5	Confident	140 Å²	140	79.4 Å²	79.4	75%	0.749	43%	0.432	S	S	*	.	S	Bend	trans	-73.7	-30.2	177	-61.8	-55.3	0	0	0	113
126	Y	73.1	Confident	72.1	Confident	206 Å²	206	83 Å²	83	81%	0.808	44%	0.444	S	S	*	.	S	Bend	trans	-134	72.9	-177.5	-62	-76.9	0	0	0	110.3	N123	N123-Y126 CarbonylContact O-C 3.54Å
127	P	70.6	Confident	71.6	Confident	78 Å²	78	82.9 Å²	82.9	51%	0.506	45%	0.447	S	S	.	.			trans	-62	133.5	-179.4	23.9	-32.8	0	0	0	109.9	L119 N123 R129	L119-P127 HydrophobicContact CD1-CB 4.04Å; N123-P127 VanDerWaalsContact O-CA 3.26Å; N123-P127 WeakPolarHBondContact O-CA 3.3Å; N123-P127 VanDerWaalsContact O-N 3.1Å; P127-R129 PolarHBondContact O-N 3.03Å
128	P	66.5	Low	71.4	Confident	59 Å²	59	81.8 Å²	81.8	38%	0.383	44%	0.442	S	S	.	.			trans	-60	138.7	178.4	25.2	-35.2	0	0	0	110.4	C117 N123 C130	C117-P128 HydrophobicContact CB-CB 4.49Å; C117-P128 HydrophobicContact CB-CG 3.83Å; N123-P128 VanDerWaalsContact ND2-CD 3.3Å; N123-P128 WeakPolarHBondContact ND2-CD 3.33Å; P128-C130 PolarHBondContact O-N 3Å; P128-C130 PolarHBondContact O-SG 3.17Å
129	R	69.6	Low	71.6	Confident	224 Å²	224	80.9 Å²	80.9	85%	0.845	44%	0.436	S	S	*	.			trans	-77.9	106.7	173.7	-68.7	-159.9	-178.7	-147	2.5	109.9	P127 N131	P127-R129 PolarHBondContact O-N 3.03Å; R129-N131 PolarHBondContact O-N 3Å
130	C	67.2	Low	71.7	Confident	42 Å²	42	80.1 Å²	80.1	28%	0.284	43%	0.431	S	S	.	.			trans	-99.1	48.9	-171	-57.8	0	0	0	0	111.6	C117 P128 N132 A133	C117-C130 HydrophobicContact CB-CB 3.66Å; C117-C130 WeakPolarHBondContact CB-SG 3.38Å; C117-C130 WeakPolarHBondContact SG-CB 3.24Å; C117-C130 CovalentContact SG-SG 2Å; C117-C130 PolarHBondContact SG-SG 3.48Å; P128-C130 PolarHBondContact O-N 3Å; P128-C130 PolarHBondContact O-SG 3.17Å; C130-N132 PolarHBondContact O-N 3.31Å; C130-N132 VanDerWaalsContact O-N 3.13Å; C130-A133 HydrophobicContact CB-CB 4.14Å
131	N	59.3	Low	71.6	Confident	124 Å²	124	81.4 Å²	81.4	66%	0.663	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.2	-171.7	-66.2	-21.2	0	0	0	113	R129	R129-N131 PolarHBondContact O-N 3Å
132	N	58	Low	71.9	Confident	162 Å²	162	84.9 Å²	84.9	87%	0.866	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-147.9	16.7	-178.8	-75.4	-40.2	0	0	0	113.5	C130 G134	C130-N132 PolarHBondContact O-N 3.31Å; C130-N132 VanDerWaalsContact O-N 3.13Å; N132-G134 PolarHBondContact O-N 3.29Å
133	A	59.2	Low	71.9	Confident	38 Å²	38	86.2 Å²	86.2	31%	0.314	47%	0.47	S	S	.	.			trans	-79.4	96.7	177.9	0	0	0	0	0	106.6	N116 C130	N116-A133 HydrophobicContact CB-CB 3.86Å; C130-A133 HydrophobicContact CB-CB 4.14Å
134	G	65.4	Low	72	Confident	50 Å²	50	87.8 Å²	87.8	52%	0.515	49%	0.493	S	S	.	.			trans	-47.6	152.9	176.5	0	0	0	0	0	110.9	N116 N132	N116-G134 PolarHBondContact ND2-O 2.69Å; N116-G134 PolarHBondContact OD1-O 3.07Å; N132-G134 PolarHBondContact O-N 3.29Å
135	C	77	Confident	72.5	Confident	61 Å²	61	88.1 Å²	88.1	41%	0.412	49%	0.491	S	S	.	.			trans	-96.8	149.2	-179.9	62.8	0	0	0	0	111.8	C113 K114	C113-C135 WeakPolarHBondContact CA-SG 3.48Å; C113-C135 HydrophobicContact CB-CB 3.75Å; C113-C135 WeakPolarHBondContact CB-SG 3.06Å; C113-C135 WeakPolarHBondContact SG-CB 3.43Å; C113-C135 CovalentContact SG-SG 2.03Å; C113-C135 PolarHBondContact SG-SG 2.85Å; K114-C135 VanDerWaalsContact O-CA 3.29Å; K114-C135 WeakPolarHBondContact O-CA 3.44Å; K114-C135 VanDerWaalsContact O-CB 3.31Å; K114-C135 WeakPolarHBondContact O-CB 3.48Å
136	Q	67.9	Low	73	Confident	125 Å²	125	81.7 Å²	81.7	58%	0.584	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.2	174.5	-67	-170.7	-25.7	0	0	109.5	K114	K114-Q136 WeakPolarHBondContact CA-O 3.43Å; K114-Q136 WeakPolarHBondContact CB-O 3.09Å; K114-Q136 PolarHBondContact N-O 3.43Å; K114-Q136 PolarHBondContact O-N 2.81Å
137	P	67.5	Low	73.4	Confident	81 Å²	81	72.3 Å²	72.3	53%	0.526	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	138.8	172.7	26	-32.9	0	0	0	110.7	W110 T111	W110-P137 HydrophobicContact CZ2-CB 4.1Å; T111-P137 WeakPolarHBondContact O-CA 2.88Å
138	G	74.1	Confident	73.7	Confident	10 Å²	10	70.6 Å²	70.6	10%	0.103	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-175.9	178.5	0	0	0	0	0	114	T111	T111-G138 WeakPolarHBondContact CG2-O 2.54Å; T111-G138 PolarHBondContact N-O 3.19Å; T111-G138 PolarHBondContact O-N 3.13Å
139	C	81.3	Confident	73.9	Confident	20 Å²	20	70.5 Å²	70.5	14%	0.135	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.4	175.9	-60.1	0	0	0	0	111	C104 E108 R109 K114	C104-C139 WeakPolarHBondContact CA-SG 3.4Å; C104-C139 HydrophobicContact CB-CB 3.76Å; C104-C139 WeakPolarHBondContact CB-SG 3.38Å; C104-C139 VanDerWaalsContact SG-CA 3.54Å; C104-C139 WeakPolarHBondContact SG-CB 3.29Å; C104-C139 CovalentContact SG-SG 2.04Å; C104-C139 PolarHBondContact SG-SG 2.9Å; E108-C139 HydrophobicContact CB-CB 4.11Å; E108-C139 HydrophobicContact CG-CB 4.41Å; E108-C139 WeakPolarHBondContact OE2-CB 3.39Å; R109-C139 WeakPolarHBondContact O-CA 3.31Å; K114-C139 VanDerWaalsContact CD-O 3.26Å; K114-C139 WeakPolarHBondContact CD-O 3.26Å; K114-C139 WeakPolarHBondContact CE-O 3.08Å; K114-C139 PolarHBondContact NZ-O 3.4Å
140	E	82.9	Confident	74	Confident	63 Å²	63	62.1 Å²	62.1	29%	0.294	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.1	171.5	71.6	-177	173.1	0	0	110.6	E108 R109 T111 K114	E108-E140 CarbonylContact C-O 3.2Å; E108-E140 VanDerWaalsContact CA-O 3.26Å; E108-E140 WeakPolarHBondContact CA-O 3.37Å; R109-E140 PolarHBondContact N-O 3.08Å; R109-E140 PolarHBondContact O-N 2.03Å; T111-E140 WeakPolarHBondContact CB-OE1 3.35Å; T111-E140 HydrophobicContact CG2-CB 3.83Å; T111-E140 HydrophobicContact CG2-CG 3.55Å; T111-E140 WeakPolarHBondContact CG2-OE2 2.88Å; K114-E140 HydrophobicContact CG-CB 4.19Å
141	C	82	Confident	74	Confident	26 Å²	26	66.3 Å²	66.3	18%	0.176	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	140.6	173.3	-63.9	0	0	0	0	110.4	Y145 R147 C157	C141-Y145 WeakPolarHBondContact CB-O 3.21Å; C141-R147 WeakPolarHBondContact SG-CG 3.43Å; C141-R147 PolarHBondContact SG-N 3.25Å; C141-C157 WeakPolarHBondContact CA-SG 3.25Å; C141-C157 HydrophobicContact CB-CB 3.79Å; C141-C157 WeakPolarHBondContact CB-SG 3.35Å; C141-C157 WeakPolarHBondContact SG-CB 3.39Å; C141-C157 CovalentContact SG-SG 2.03Å; C141-C157 PolarHBondContact SG-SG 2.97Å
142	K	84.8	Confident	74.3	Confident	84 Å²	84	63.6 Å²	63.6	37%	0.365	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-60.9	155.9	171.4	-67.8	173.7	-172.8	171.2	0	110.3	A106 E107 E108 R109 G144 Y145	A106-K142 WeakPolarHBondContact O-CE 3.45Å; A106-K142 PolarHBondContact O-NZ 2.87Å; E107-K142 WeakPolarHBondContact O-CG 3.29Å; E107-K142 PolarHBondContact O-N 2.79Å; E107-K142 IonicContact OE2-NZ 2.85Å; E108-K142 WeakPolarHBondContact O-CE 3.05Å; R109-K142 HydrophobicContact CB-CG 4.08Å; K142-G144 PolarHBondContact O-N 3.09Å; K142-Y145 HydrophobicContact CB-CD2 3.93Å; K142-Y145 HydrophobicContact CB-CE2 4.45Å; K142-Y145 WeakPolarHBondContact O-CB 3.35Å; K142-Y145 PolarHBondContact O-N 3.09Å
143	S	79.7	Confident	74.5	Confident	128 Å²	128	60.3 Å²	60.3	90%	0.895	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	130	173.9	-52.6	0	0	0	0	111.3
144	G	79.2	Confident	74.7	Confident	60 Å²	60	65.9 Å²	65.9	62%	0.619	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.1	-8.1	-175.3	0	0	0	0	0	114.9	K142	K142-G144 PolarHBondContact O-N 3.09Å
145	Y	83.7	Confident	74.8	Confident	69 Å²	69	63.7 Å²	63.7	27%	0.271	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	148.2	173	-63.7	-98	0	0	0	111	E107 C141 K142 V158 T159	E107-Y145 HydrophobicContact CB-CD1 3.83Å; E107-Y145 HydrophobicContact CB-CE1 3.89Å; E107-Y145 HydrophobicContact CB-CG 4.22Å; E107-Y145 VanDerWaalsContact CD-OH 3.31Å; E107-Y145 HydrophobicContact CG-CD1 4.02Å; E107-Y145 HydrophobicContact CG-CE1 3.58Å; E107-Y145 WeakPolarHBondContact OE2-CE2 3.4Å; E107-Y145 PolarHBondContact OE2-OH 3.07Å; C141-Y145 WeakPolarHBondContact CB-O 3.21Å; K142-Y145 HydrophobicContact CB-CD2 3.93Å; K142-Y145 HydrophobicContact CB-CE2 4.45Å; K142-Y145 WeakPolarHBondContact O-CB 3.35Å; K142-Y145 PolarHBondContact O-N 3.09Å; Y145-V158 CarbonylContact C-O 3.59Å; Y145-V158 VanDerWaalsContact CA-O 3.29Å; Y145-V158 WeakPolarHBondContact CA-O 2.97Å; Y145-T159 HydrophobicContact CD1-CG2 4.08Å; Y145-T159 HydrophobicContact CE1-CG2 3.74Å
146	V	84.1	Confident	74.7	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.03	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.5	176.8	-63.1	0	0	0	0	109.5	L119 M124 C157 V158 C163	L119-V146 HydrophobicContact CB-CG1 4.24Å; L119-V146 HydrophobicContact CD2-CG1 3.66Å; L119-V146 HydrophobicContact CG-CG1 3.75Å; M124-V146 HydrophobicContact SD-CG1 4.21Å; M124-V146 HydrophobicContact SD-CG2 4.35Å; V146-C157 WeakPolarHBondContact O-CA 3.33Å; V146-V158 HydrophobicContact CG2-CG2 4.4Å; V146-V158 PolarHBondContact N-O 3.41Å; V146-V158 PolarHBondContact O-N 2.72Å; V146-C163 WeakPolarHBondContact CG2-SG 3.13Å
147	R	82.3	Confident	75.3	Confident	9 Å²	9	58.8 Å²	58.8	3%	0.034	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	136.8	177	-75	-172.1	151.3	-117.9	-6.1	110.5	E108 L119 S120 C121 C141 D149 D152 P153	E108-R147 IonicContact OE1-CZ 2.72Å; E108-R147 IonicContact OE1-NH2 3.08Å; E108-R147 PolarHBondContact OE1-NH2 2.88Å; L119-R147 PolarHBondContact O-N 3.5Å; S120-R147 CarbonylContact C-O 3.59Å; S120-R147 WeakPolarHBondContact CA-O 3.12Å; S120-R147 WeakPolarHBondContact CB-O 3.17Å; C121-R147 PolarHBondContact N-O 2.63Å; C141-R147 WeakPolarHBondContact SG-CG 3.43Å; C141-R147 PolarHBondContact SG-N 3.25Å; R147-D149 VanDerWaalsContact C-N 3.28Å; R147-D149 PolarHBondContact O-N 3.31Å; R147-D152 PolarHBondContact NH1-O 3.34Å; R147-P153 VanDerWaalsContact CZ-O 3.27Å; R147-P153 PolarHBondContact NH1-O 2.89Å; R147-P153 PolarHBondContact NH2-O 3.11Å
148	L	76.8	Confident	76	Confident	43 Å²	43	55.5 Å²	55.5	23%	0.225	33%	0.329	C	S	.	.	S	Bend	trans	-61.1	-40.8	179.5	-174.1	64.9	0	0	0	112.1	A155 P156 V158 V166	L148-A155 HydrophobicContact CB-CB 4.27Å; L148-P156 HydrophobicContact CB-CG 4.14Å; L148-P156 WeakPolarHBondContact CB-O 3.36Å; L148-P156 HydrophobicContact CD2-CG 4.04Å; L148-P156 PolarHBondContact N-O 2.91Å; L148-V158 HydrophobicContact CB-CG1 4.34Å; L148-V158 HydrophobicContact CB-CG2 4.32Å; L148-V158 HydrophobicContact CD1-CG1 4.38Å; L148-V158 HydrophobicContact CD1-CG2 3.97Å; L148-V166 HydrophobicContact CD1-CB 3.81Å; L148-V166 HydrophobicContact CD1-CG1 3.88Å; L148-V166 HydrophobicContact CD1-CG2 3.66Å; L148-V166 HydrophobicContact CD2-CG1 4.44Å
149	D	70.9	Confident	76.3	Confident	56 Å²	56	56.8 Å²	56.8	30%	0.299	33%	0.334	S	S	.	.			trans	-130.3	131.7	175.2	-167.9	-15.4	0	0	0	109.4	N122 R147 N151 D152 A155	N122-D149 PolarHBondContact ND2-OD1 3.34Å; R147-D149 VanDerWaalsContact C-N 3.28Å; R147-D149 PolarHBondContact O-N 3.31Å; D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 WeakPolarHBondContact OD1-CB 3.35Å; D149-N151 PolarHBondContact OD1-N 3.42Å; D149-N151 PolarHBondContact OD1-ND2 3.31Å; D149-D152 HydrophobicContact CB-CB 4.17Å; D149-A155 HydrophobicContact CB-CB 4.01Å
150	S	70.3	Confident	76.2	Confident	48 Å²	48	58.8 Å²	58.8	34%	0.336	35%	0.346	S	S	.	.	S	Bend	trans	-70.4	-25.5	173.4	41.7	0	0	0	0	112.8	S120	S120-S150 VanDerWaalsContact OG-CB 3.31Å; S120-S150 WeakPolarHBondContact OG-CB 3.33Å
151	N	66.9	Low	75.8	Confident	131 Å²	131	61.5 Å²	61.5	70%	0.701	36%	0.363	S	S	*	.	S	Bend	trans	-86.2	-20.2	-176	-55.5	-69.6	0	0	0	112.7	D149 P153	D149-N151 VanDerWaalsContact C-N 3.28Å; D149-N151 WeakPolarHBondContact OD1-CB 3.35Å; D149-N151 PolarHBondContact OD1-N 3.42Å; D149-N151 PolarHBondContact OD1-ND2 3.31Å; N151-P153 WeakPolarHBondContact O-CD 3.39Å
152	D	65.6	Low	75.5	Confident	66 Å²	66	64.4 Å²	64.4	35%	0.353	38%	0.375	S	S	.	.			trans	-104.1	109.7	-179.5	-176.4	2.3	0	0	0	111.1	R147 D149 L154 A155	R147-D152 PolarHBondContact NH1-O 3.34Å; D149-D152 HydrophobicContact CB-CB 4.17Å; D152-L154 PolarHBondContact O-N 2.9Å; D152-L154 VanDerWaalsContact O-N 3.15Å; D152-L154 WeakPolarHBondContact OD1-CA 3.11Å; D152-L154 WeakPolarHBondContact OD1-CB 3.04Å; D152-L154 PolarHBondContact OD1-N 3.21Å; D152-A155 HydrophobicContact CB-CB 4Å; D152-A155 WeakPolarHBondContact O-CB 2.84Å; D152-A155 PolarHBondContact O-N 2.8Å; D152-A155 VanDerWaalsContact O-N 3.1Å
153	P	63.4	Low	75	Confident	94 Å²	94	60.6 Å²	60.6	61%	0.61	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-13	175.7	27.4	-33.8	0	0	0	113.5	R147 N151	R147-P153 VanDerWaalsContact CZ-O 3.27Å; R147-P153 PolarHBondContact NH1-O 2.89Å; R147-P153 PolarHBondContact NH2-O 3.11Å; N151-P153 WeakPolarHBondContact O-CD 3.39Å
154	L	63	Low	74.7	Confident	155 Å²	155	58.3 Å²	58.3	81%	0.812	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.2	175.7	-60.1	172	0	0	0	113.5	D152	D152-L154 PolarHBondContact O-N 2.9Å; D152-L154 VanDerWaalsContact O-N 3.15Å; D152-L154 WeakPolarHBondContact OD1-CA 3.11Å; D152-L154 WeakPolarHBondContact OD1-CB 3.04Å; D152-L154 PolarHBondContact OD1-N 3.21Å
155	A	67.4	Low	74	Confident	4 Å²	4	59.3 Å²	59.3	3%	0.033	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-58.6	138.1	178.3	0	0	0	0	0	111.9	L148 D149 D152	L148-A155 HydrophobicContact CB-CB 4.27Å; D149-A155 HydrophobicContact CB-CB 4.01Å; D152-A155 HydrophobicContact CB-CB 4Å; D152-A155 WeakPolarHBondContact O-CB 2.84Å; D152-A155 PolarHBondContact O-N 2.8Å; D152-A155 VanDerWaalsContact O-N 3.1Å
156	P	75	Confident	72.8	Confident	72 Å²	72	59 Å²	59	47%	0.468	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-66.3	147.9	-179.5	27.8	-34.4	0	0	0	111.3	L148 V158	L148-P156 HydrophobicContact CB-CG 4.14Å; L148-P156 WeakPolarHBondContact CB-O 3.36Å; L148-P156 HydrophobicContact CD2-CG 4.04Å; L148-P156 PolarHBondContact N-O 2.91Å; P156-V158 HydrophobicContact CB-CG1 4.42Å; P156-V158 HydrophobicContact CG-CG1 4.3Å
157	C	81.5	Confident	71.7	Confident	10 Å²	10	63.9 Å²	63.9	7%	0.068	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.2	166.4	-67.2	0	0	0	0	109.1	E107 E108 C141 V146	E107-C157 HydrophobicContact CB-CB 3.89Å; E108-C157 HydrophobicContact CG-CB 4.32Å; E108-C157 WeakPolarHBondContact CG-SG 3.36Å; C141-C157 WeakPolarHBondContact CA-SG 3.25Å; C141-C157 HydrophobicContact CB-CB 3.79Å; C141-C157 WeakPolarHBondContact CB-SG 3.35Å; C141-C157 WeakPolarHBondContact SG-CB 3.39Å; C141-C157 CovalentContact SG-SG 2.03Å; C141-C157 PolarHBondContact SG-SG 2.97Å; V146-C157 WeakPolarHBondContact O-CA 3.33Å
158	V	81.4	Confident	70.4	Confident	12 Å²	12	67.8 Å²	67.8	7%	0.073	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	159.5	-176.1	-61	0	0	0	0	110	Y145 V146 L148 P156 M162	Y145-V158 CarbonylContact C-O 3.59Å; Y145-V158 VanDerWaalsContact CA-O 3.29Å; Y145-V158 WeakPolarHBondContact CA-O 2.97Å; V146-V158 HydrophobicContact CG2-CG2 4.4Å; V146-V158 PolarHBondContact N-O 3.41Å; V146-V158 PolarHBondContact O-N 2.72Å; L148-V158 HydrophobicContact CB-CG1 4.34Å; L148-V158 HydrophobicContact CB-CG2 4.32Å; L148-V158 HydrophobicContact CD1-CG1 4.38Å; L148-V158 HydrophobicContact CD1-CG2 3.97Å; P156-V158 HydrophobicContact CB-CG1 4.42Å; P156-V158 HydrophobicContact CG-CG1 4.3Å; V158-M162 HydrophobicContact CB-CB 3.8Å; V158-M162 HydrophobicContact CB-CG 4.47Å; V158-M162 HydrophobicContact CB-SD 3.95Å; V158-M162 HydrophobicContact CG1-SD 4.13Å; V158-M162 HydrophobicContact CG2-CB 4.21Å
159	T	81.1	Confident	69.2	Low	37 Å²	37	68.6 Å²	68.6	23%	0.227	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	160.1	172.3	61.3	0	0	0	0	110.2	Y145 D161 M162 C163	Y145-T159 HydrophobicContact CD1-CG2 4.08Å; Y145-T159 HydrophobicContact CE1-CG2 3.74Å; T159-D161 PolarHBondContact O-N 3.02Å; T159-M162 HydrophobicContact CG2-CE 4.06Å; T159-M162 WeakPolarHBondContact O-CB 3.36Å; T159-M162 PolarHBondContact O-N 2.89Å; T159-C163 PolarHBondContact O-N 3.43Å
160	T	78.2	Confident	68.1	Low	62 Å²	62	67.2 Å²	67.2	38%	0.38	39%	0.39	S	S	.	.	H	α-helix	trans	-57.6	-33.5	177	52	0	0	0	0	112.7	M124 M162 C163	M124-T160 HydrophobicContact CE-CG2 4.27Å; M124-T160 HydrophobicContact SD-CG2 3.6Å; T160-M162 VanDerWaalsContact C-N 3.3Å; T160-M162 PolarHBondContact O-N 2.88Å; T160-C163 WeakPolarHBondContact O-CB 3.35Å; T160-C163 PolarHBondContact O-N 1.99Å
161	D	75	Confident	67	Low	120 Å²	120	74.2 Å²	74.2	64%	0.642	41%	0.41	S	S	*	.	H	α-helix	trans	-65.8	-32.5	175.7	-54	-65.9	0	0	0	112.7	T159 T165	T159-D161 PolarHBondContact O-N 3.02Å; D161-T165 PolarHBondContact O-N 2.85Å; D161-T165 PolarHBondContact O-OG1 2.97Å; D161-T165 VanDerWaalsContact O-OG1 3.11Å
162	M	75.7	Confident	66	Low	87 Å²	87	73.3 Å²	73.3	43%	0.429	41%	0.405	S	S	.	.	H	α-helix	trans	-71.9	-29.1	176.3	-72.8	-170.8	-129.4	0	0	112.1	V158 T159 T160 V164 T165 V166	V158-M162 HydrophobicContact CB-CB 3.8Å; V158-M162 HydrophobicContact CB-CG 4.47Å; V158-M162 HydrophobicContact CB-SD 3.95Å; V158-M162 HydrophobicContact CG1-SD 4.13Å; V158-M162 HydrophobicContact CG2-CB 4.21Å; T159-M162 HydrophobicContact CG2-CE 4.06Å; T159-M162 WeakPolarHBondContact O-CB 3.36Å; T159-M162 PolarHBondContact O-N 2.89Å; T160-M162 VanDerWaalsContact C-N 3.3Å; T160-M162 PolarHBondContact O-N 2.88Å; M162-V164 VanDerWaalsContact C-N 3.32Å; M162-V164 PolarHBondContact O-N 3.36Å; M162-T165 CarbonylContact O-C 3.41Å; M162-T165 WeakPolarHBondContact O-CA 3.4Å; M162-T165 WeakPolarHBondContact O-CB 3.5Å; M162-T165 PolarHBondContact O-N 2.03Å; M162-T165 VanDerWaalsContact O-N 3.07Å; M162-V166 WeakPolarHBondContact O-CG2 3.47Å; M162-V166 PolarHBondContact O-N 3.39Å
163	C	74.3	Confident	65.5	Low	4 Å²	4	78.4 Å²	78.4	3%	0.027	43%	0.427	C	S	.	.	H	α-helix	trans	-56.9	-47.5	174.1	-66.3	0	0	0	0	111.2	C121 M124 V146 T159 T160 T165 V166 E167	C121-C163 WeakPolarHBondContact CA-SG 3.03Å; C121-C163 HydrophobicContact CB-CB 3.6Å; C121-C163 WeakPolarHBondContact CB-SG 3.43Å; C121-C163 WeakPolarHBondContact SG-CA 3.26Å; C121-C163 WeakPolarHBondContact SG-CB 3.47Å; C121-C163 CovalentContact SG-SG 2.04Å; C121-C163 PolarHBondContact SG-SG 2.89Å; M124-C163 HydrophobicContact CE-CB 4.1Å; V146-C163 WeakPolarHBondContact CG2-SG 3.13Å; T159-C163 PolarHBondContact O-N 3.43Å; T160-C163 WeakPolarHBondContact O-CB 3.35Å; T160-C163 PolarHBondContact O-N 1.99Å; C163-T165 PolarHBondContact O-N 3.28Å; C163-V166 PolarHBondContact O-N 2.85Å; C163-E167 WeakPolarHBondContact O-CG 3.23Å; C163-E167 PolarHBondContact O-N 3.4Å
164	V	72.7	Confident	64.9	Low	80 Å²	80	82 Å²	82	49%	0.485	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-36.2	176.7	-176.8	0	0	0	0	110.9	M162 N168	M162-V164 VanDerWaalsContact C-N 3.32Å; M162-V164 PolarHBondContact O-N 3.36Å; V164-N168 WeakPolarHBondContact O-CB 3.34Å; V164-N168 VanDerWaalsContact O-CG 3.24Å; V164-N168 PolarHBondContact O-N 3.34Å; V164-N168 VanDerWaalsContact O-N 3.15Å; V164-N168 PolarHBondContact O-ND2 2.84Å
165	T	64.9	Low	63.9	Low	81 Å²	81	78.7 Å²	78.7	50%	0.497	44%	0.438	S	S	.	.	H	α-helix	trans	-71.4	-37.7	179.2	-52.6	0	0	0	0	111.9	D161 M162 C163 N168 S169	D161-T165 PolarHBondContact O-N 2.85Å; D161-T165 PolarHBondContact O-OG1 2.97Å; D161-T165 VanDerWaalsContact O-OG1 3.11Å; M162-T165 CarbonylContact O-C 3.41Å; M162-T165 WeakPolarHBondContact O-CA 3.4Å; M162-T165 WeakPolarHBondContact O-CB 3.5Å; M162-T165 PolarHBondContact O-N 2.03Å; M162-T165 VanDerWaalsContact O-N 3.07Å; C163-T165 PolarHBondContact O-N 3.28Å; T165-N168 PolarHBondContact O-N 2.85Å; T165-S169 VanDerWaalsContact O-CB 3.23Å; T165-S169 WeakPolarHBondContact O-CB 3.38Å; T165-S169 PolarHBondContact O-N 2.77Å; T165-S169 PolarHBondContact O-OG 3.5Å
166	V	59.1	Low	62.7	Low	62 Å²	62	81.3 Å²	81.3	38%	0.376	47%	0.466	S	S	.	.	H	α-helix	trans	-77	-33.3	178.5	179.8	0	0	0	0	112	L148 M162 C163 N168 S169 G170	L148-V166 HydrophobicContact CD1-CB 3.81Å; L148-V166 HydrophobicContact CD1-CG1 3.88Å; L148-V166 HydrophobicContact CD1-CG2 3.66Å; L148-V166 HydrophobicContact CD2-CG1 4.44Å; M162-V166 WeakPolarHBondContact O-CG2 3.47Å; M162-V166 PolarHBondContact O-N 3.39Å; C163-V166 PolarHBondContact O-N 2.85Å; V166-N168 VanDerWaalsContact C-N 3.26Å; V166-N168 PolarHBondContact O-N 2.91Å; V166-S169 PolarHBondContact O-N 3.41Å; V166-G170 WeakPolarHBondContact O-CA 3.22Å; V166-G170 PolarHBondContact O-N 2.92Å
167	E	60	Low	61.5	Low	109 Å²	109	90 Å²	90	51%	0.509	49%	0.489	S	S	.	.	H	α-helix	trans	-62.3	-37.2	169.5	-71.6	-168	149.3	0	0	111.9	C163 R171	C163-E167 WeakPolarHBondContact O-CG 3.23Å; C163-E167 PolarHBondContact O-N 3.4Å; E167-R171 WeakPolarHBondContact O-CG 2.96Å
168	N	54.9	Low	59.5	Low	90 Å²	90	93.5 Å²	93.5	48%	0.481	53%	0.527	S	S	.	.	H	α-helix	trans	-77.7	-29	176	-71.6	-40.2	0	0	0	113.2	V164 T165 V166	V164-N168 WeakPolarHBondContact O-CB 3.34Å; V164-N168 VanDerWaalsContact O-CG 3.24Å; V164-N168 PolarHBondContact O-N 3.34Å; V164-N168 VanDerWaalsContact O-N 3.15Å; V164-N168 PolarHBondContact O-ND2 2.84Å; T165-N168 PolarHBondContact O-N 2.85Å; V166-N168 VanDerWaalsContact C-N 3.26Å; V166-N168 PolarHBondContact O-N 2.91Å
169	S	52.1	Low	58	Low	61 Å²	61	98.2 Å²	98.2	43%	0.427	56%	0.56	S	S	.	*	H	α-helix	trans	-86.1	-29.6	178.9	-57.4	0	0	0	0	113.1	T165 V166 R171 N172	T165-S169 VanDerWaalsContact O-CB 3.23Å; T165-S169 WeakPolarHBondContact O-CB 3.38Å; T165-S169 PolarHBondContact O-N 2.77Å; T165-S169 PolarHBondContact O-OG 3.5Å; V166-S169 PolarHBondContact O-N 3.41Å; S169-R171 VanDerWaalsContact C-N 3.35Å; S169-N172 PolarHBondContact O-N 2.04Å; S169-N172 VanDerWaalsContact O-N 3.16Å
170	G	47.4	Very low	56.4	Low	26 Å²	26	108.3 Å²	108.3	27%	0.268	59%	0.594	S	S	.	*	H	α-helix	trans	-73.3	-25.3	176.2	0	0	0	0	0	113.2	V166 N172 Q173 Q174	V166-G170 WeakPolarHBondContact O-CA 3.22Å; V166-G170 PolarHBondContact O-N 2.92Å; G170-N172 PolarHBondContact O-N 2.9Å; G170-Q173 PolarHBondContact O-N 3.49Å; G170-Q174 PolarHBondContact O-N 2.92Å
171	R	46.6	Very low	55.1	Low	196 Å²	196	111.6 Å²	111.6	74%	0.74	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-15.4	167.2	-79.2	-178	179.6	153.5	3.6	113.7	E167 S169	E167-R171 WeakPolarHBondContact O-CG 2.96Å; S169-R171 VanDerWaalsContact C-N 3.35Å
172	N	47.6	Very low	53.7	Low	111 Å²	111	114.4 Å²	114.4	59%	0.594	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-2.2	179.8	-114.3	-41.4	0	0	0	114.3	S169 G170 S185	S169-N172 PolarHBondContact O-N 2.04Å; S169-N172 VanDerWaalsContact O-N 3.16Å; G170-N172 PolarHBondContact O-N 2.9Å; N172-S185 PolarHBondContact ND2-OG 3.35Å; N172-S185 VanDerWaalsContact OD1-CB 3.29Å; N172-S185 WeakPolarHBondContact OD1-CB 2.95Å; N172-S185 PolarHBondContact OD1-OG 3.33Å
173	Q	53.9	Low	52.3	Low	174 Å²	174	112.6 Å²	112.6	81%	0.813	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	-9.5	-178.9	-65	-170.2	29.4	0	0	115.3	G170 G175	G170-Q173 PolarHBondContact O-N 3.49Å; Q173-G175 PolarHBondContact O-N 2.89Å
174	Q	50.6	Low	51.1	Low	170 Å²	170	114.5 Å²	114.5	79%	0.794	64%	0.635	S	S	*	*			trans	-92.2	73.8	171.5	-76.8	179.7	5.7	0	0	111.9	G170 G176	G170-Q174 PolarHBondContact O-N 2.92Å; Q174-G176 VanDerWaalsContact C-N 3.25Å; Q174-G176 PolarHBondContact O-N 3.11Å
175	G	41.7	Very low	50.3	Low	84 Å²	84	113.8 Å²	113.8	87%	0.866	63%	0.633	S	S	*	*			trans	-61	93.8	146.8	0	0	0	0	0	109.1	Q173	Q173-G175 PolarHBondContact O-N 2.89Å
176	G	43.1	Very low	50	Low	60 Å²	60	117.1 Å²	117.1	62%	0.619	65%	0.648	S	S	*	*	S	Bend	trans	97	93.5	157.8	0	0	0	0	0	116	Q174	Q174-G176 VanDerWaalsContact C-N 3.25Å; Q174-G176 PolarHBondContact O-N 3.11Å
177	R	48.8	Very low	50.4	Low	254 Å²	254	117.1 Å²	117.1	96%	0.958	65%	0.646	S	S	*	*	S	Bend		171.4	105.1	99.3	-88.7	168.9	-174.7	-163	2.3	108.9
178	G	40.5	Very low	51.2	Low	83 Å²	83	115.2 Å²	115.2	86%	0.856	64%	0.642	S	S	*	*	S	Bend	trans	113.4	38.5	151.4	0	0	0	0	0	118.2
179	S	50.4	Low	52.4	Low	111 Å²	111	111.1 Å²	111.1	78%	0.776	62%	0.62	S	S	*	*			trans	-146.2	119.2	144.2	-155.8	0	0	0	0	109.8	N181	S179-N181 VanDerWaalsContact C-N 3.28Å; S179-N181 PolarHBondContact O-N 3.38Å
180	R	47.5	Very low	53.6	Low	249 Å²	249	112.9 Å²	112.9	94%	0.94	63%	0.63	S	S	*	*			trans	-68.3	86.5	-178.5	-65.7	171.2	-174.4	159.5	0.8	108.3
181	N	50.5	Low	55	Low	132 Å²	132	114.8 Å²	114.8	71%	0.706	63%	0.634	S	S	*	*			trans	-141.6	95.8	160.3	-90.8	-33.6	0	0	0	107.6	S179 G183	S179-N181 VanDerWaalsContact C-N 3.28Å; S179-N181 PolarHBondContact O-N 3.38Å; N181-G183 PolarHBondContact O-N 3Å
182	R	44.6	Very low	56.3	Low	179 Å²	179	108.2 Å²	108.2	68%	0.675	63%	0.627	S	S	*	*			trans	-61	113.2	161.7	-75.6	178.3	177.1	169.7	-11	106.6	E200	R182-E200 WeakPolarHBondContact CD-OE2 3.3Å; R182-E200 IonicContact CZ-OE1 2.83Å; R182-E200 IonicContact CZ-OE2 3.66Å; R182-E200 IonicContact NE-OE2 3.62Å; R182-E200 IonicContact NH1-OE1 3.99Å; R182-E200 PolarHBondContact NH1-OE1 3.16Å; R182-E200 IonicContact NH1-OE2 2.66Å; R182-E200 PolarHBondContact NH1-OE2 3.02Å
183	G	47.3	Very low	57.9	Low	49 Å²	49	104.7 Å²	104.7	51%	0.505	61%	0.611	S	S	.	*			trans	-178	53.5	-168.6	0	0	0	0	0	108	N181 D187	N181-G183 PolarHBondContact O-N 3Å; G183-D187 WeakPolarHBondContact CA-OD2 3.37Å
184	G	49.2	Very low	59	Low	44 Å²	44	105 Å²	105	45%	0.454	62%	0.615	S	S	.	*			trans	-58.4	146.9	179.5	0	0	0	0	0	110.2	N186 D187	G184-N186 PolarHBondContact O-N 3.38Å; G184-D187 PolarHBondContact N-OD2 3.36Å; G184-D187 WeakPolarHBondContact O-CB 3.12Å; G184-D187 PolarHBondContact O-N 2.03Å
185	S	55.6	Low	60.4	Low	64 Å²	64	98.9 Å²	98.9	45%	0.448	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.1	25.8	-174.1	-58.6	0	0	0	0	116.2	N172	N172-S185 PolarHBondContact ND2-OG 3.35Å; N172-S185 VanDerWaalsContact OD1-CB 3.29Å; N172-S185 WeakPolarHBondContact OD1-CB 2.95Å; N172-S185 PolarHBondContact OD1-OG 3.33Å
186	N	59.4	Low	62.4	Low	152 Å²	152	98 Å²	98	81%	0.813	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.7	9.2	162.2	-64.2	-39.3	0	0	0	112.2	G184 V188	G184-N186 PolarHBondContact O-N 3.38Å; N186-V188 PolarHBondContact O-N 3.24Å
187	D	67.2	Low	64.1	Low	61 Å²	61	96.9 Å²	96.9	33%	0.326	56%	0.563	S	S	.	*			trans	-84.4	71.9	-176.5	-74.1	-4.8	0	0	0	108.8	G183 G184 P195 M215	G183-D187 WeakPolarHBondContact CA-OD2 3.37Å; G184-D187 PolarHBondContact N-OD2 3.36Å; G184-D187 WeakPolarHBondContact O-CB 3.12Å; G184-D187 PolarHBondContact O-N 2.03Å; D187-P195 WeakPolarHBondContact O-CD 3Å; D187-P195 WeakPolarHBondContact O-CG 3.02Å; D187-M215 VanDerWaalsContact CA-SD 3.55Å; D187-M215 HydrophobicContact CB-CG 4.46Å; D187-M215 HydrophobicContact CB-SD 3.32Å; D187-M215 WeakPolarHBondContact CB-SD 3.34Å
188	V	76.9	Confident	65.6	Low	69 Å²	69	86 Å²	86	42%	0.418	53%	0.525	S	S	.	.			trans	-105.3	137.3	175.1	-171	0	0	0	0	107.3	N186 G192 S193	N186-V188 PolarHBondContact O-N 3.24Å; V188-G192 VanDerWaalsContact CG1-O 3.26Å; V188-G192 WeakPolarHBondContact CG1-O 3.08Å; V188-S193 WeakPolarHBondContact CG1-O 3.44Å
189	C	80.1	Confident	67.7	Low	4 Å²	4	82.5 Å²	82.5	3%	0.027	49%	0.488	C	S	.	.			trans	-60.6	159.9	172.8	-71.1	0	0	0	0	110.9	D191 G192 S193 C217	C189-D191 WeakPolarHBondContact CB-OD1 3.48Å; C189-D191 PolarHBondContact O-N 3.35Å; C189-G192 PolarHBondContact O-N 3.07Å; C189-S193 WeakPolarHBondContact CB-O 3.44Å; C189-S193 WeakPolarHBondContact CB-OG 3.45Å; C189-S193 PolarHBondContact N-O 2.95Å; C189-C217 WeakPolarHBondContact CA-SG 3.33Å; C189-C217 HydrophobicContact CB-CB 3.7Å; C189-C217 WeakPolarHBondContact CB-SG 3.49Å; C189-C217 WeakPolarHBondContact SG-CA 3.26Å; C189-C217 WeakPolarHBondContact SG-CB 3.38Å; C189-C217 CovalentContact SG-SG 2.04Å; C189-C217 PolarHBondContact SG-SG 3.29Å
190	P	77.4	Confident	68.8	Low	98 Å²	98	81.4 Å²	81.4	64%	0.636	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-21.4	-178.7	-25.7	33.5	0	0	0	114.5	D212	P190-D212 WeakPolarHBondContact CG-OD2 3.33Å
191	D	75.4	Confident	69.9	Low	67 Å²	67	73.7 Å²	73.7	36%	0.358	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.6	178.4	63.8	-12.3	0	0	0	115	C189 S193 L220	C189-D191 WeakPolarHBondContact CB-OD1 3.48Å; C189-D191 PolarHBondContact O-N 3.35Å; D191-S193 VanDerWaalsContact C-N 3.33Å; D191-S193 VanDerWaalsContact OD1-CB 3.27Å; D191-S193 WeakPolarHBondContact OD1-CB 3.42Å; D191-S193 PolarHBondContact OD1-N 2.88Å; D191-S193 PolarHBondContact OD1-OG 3.15Å; D191-S193 PolarHBondContact OD2-OG 2.72Å; D191-L220 HydrophobicContact CB-CD1 3.77Å; D191-L220 HydrophobicContact CB-CD2 4.07Å; D191-L220 HydrophobicContact CB-CG 4.34Å
192	G	75.7	Confident	70.7	Confident	57 Å²	57	70.9 Å²	70.9	59%	0.588	47%	0.471	S	S	*	.	S	Bend	trans	88.4	-4	-174	0	0	0	0	0	114.3	V188 C189	V188-G192 VanDerWaalsContact CG1-O 3.26Å; V188-G192 WeakPolarHBondContact CG1-O 3.08Å; C189-G192 PolarHBondContact O-N 3.07Å
193	S	79.4	Confident	72	Confident	37 Å²	37	68.5 Å²	68.5	26%	0.259	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-79.5	154.8	-178.8	71.5	0	0	0	0	112.5	V188 C189 D191	V188-S193 WeakPolarHBondContact CG1-O 3.44Å; C189-S193 WeakPolarHBondContact CB-O 3.44Å; C189-S193 WeakPolarHBondContact CB-OG 3.45Å; C189-S193 PolarHBondContact N-O 2.95Å; D191-S193 VanDerWaalsContact C-N 3.33Å; D191-S193 VanDerWaalsContact OD1-CB 3.27Å; D191-S193 WeakPolarHBondContact OD1-CB 3.42Å; D191-S193 PolarHBondContact OD1-N 2.88Å; D191-S193 PolarHBondContact OD1-OG 3.15Å; D191-S193 PolarHBondContact OD2-OG 2.72Å
194	M	77.7	Confident	73.6	Confident	180 Å²	180	77.7 Å²	77.7	89%	0.887	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-72.5	132.2	172.7	-72.1	-176.2	175.6	0	0	110
195	P	80.9	Confident	75.2	Confident	42 Å²	42	76.9 Å²	76.9	27%	0.273	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-65.2	142.8	176.7	27.6	-34.8	0	0	0	111.3	D187 G197 M215 C216	D187-P195 WeakPolarHBondContact O-CD 3Å; D187-P195 WeakPolarHBondContact O-CG 3.02Å; P195-G197 PolarHBondContact O-N 3.21Å; P195-M215 HydrophobicContact CB-CB 3.75Å; P195-M215 HydrophobicContact CB-CG 4.39Å; P195-M215 HydrophobicContact CB-SD 4.29Å; P195-M215 HydrophobicContact CG-CB 4.39Å; P195-M215 HydrophobicContact CG-SD 4.04Å; P195-C216 CarbonylContact C-O 3.58Å; P195-C216 WeakPolarHBondContact CA-O 3.39Å
196	A	82.7	Confident	76.4	Confident	66 Å²	66	79.8 Å²	79.8	55%	0.545	48%	0.484	S	S	.	.	S	Bend	trans	-78	-6.9	-179.9	0	0	0	0	0	113.9	Y209 C216	A196-Y209 HydrophobicContact CB-CD1 3.68Å; A196-Y209 HydrophobicContact CB-CE1 3.31Å; A196-Y209 HydrophobicContact CB-CE2 4.4Å; A196-Y209 HydrophobicContact CB-CG 4.37Å; A196-C216 HydrophobicContact CB-CB 4.47Å; A196-C216 PolarHBondContact N-O 3.4Å
197	G	79.3	Confident	77.3	Confident	36 Å²	36	77.7 Å²	77.7	37%	0.371	48%	0.482	S	S	.	.	S	Bend	trans	166.3	-177.3	-179.5	0	0	0	0	0	112	P195 M215 C216	P195-G197 PolarHBondContact O-N 3.21Å; G197-M215 CarbonylContact O-C 3.57Å; G197-M215 WeakPolarHBondContact O-CA 3.26Å; G197-C216 PolarHBondContact O-N 2.96Å
198	S	81.1	Confident	77.9	Confident	25 Å²	25	76.3 Å²	76.3	18%	0.175	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-100	144.1	171.9	-175.8	0	0	0	0	110.6	E200 G214	S198-E200 PolarHBondContact OG-N 3.49Å; S198-G214 CarbonylContact C-O 3.59Å; S198-G214 VanDerWaalsContact CA-O 3.31Å; S198-G214 WeakPolarHBondContact CA-O 3.49Å; S198-G214 PolarHBondContact OG-O 2.82Å
199	C	82.6	Confident	78.3	Confident	11 Å²	11	77.1 Å²	77.1	7%	0.074	48%	0.478	C	S	.	.			trans	-114.4	11	174.2	51.5	0	0	0	0	112.9	Q203 C211 G214 M215	C199-Q203 WeakPolarHBondContact CA-O 3.31Å; C199-Q203 VanDerWaalsContact CB-O 3.3Å; C199-Q203 WeakPolarHBondContact CB-O 3.37Å; C199-C211 HydrophobicContact CB-CB 3.72Å; C199-C211 WeakPolarHBondContact CB-SG 3.38Å; C199-C211 WeakPolarHBondContact SG-CA 3.04Å; C199-C211 WeakPolarHBondContact SG-CB 3.48Å; C199-C211 CovalentContact SG-SG 2.01Å; C199-C211 PolarHBondContact SG-SG 2.87Å; C199-G214 PolarHBondContact N-O 2.73Å; C199-M215 VanDerWaalsContact SG-C 3.57Å; C199-M215 PolarHBondContact SG-N 3.35Å; C199-M215 PolarHBondContact SG-O 2.97Å
200	E	74.9	Confident	78.4	Confident	88 Å²	88	80 Å²	80	41%	0.411	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	135.6	172.8	-93	-171.6	113.8	0	0	111.6	R182 S198	R182-E200 WeakPolarHBondContact CD-OE2 3.3Å; R182-E200 IonicContact CZ-OE1 2.83Å; R182-E200 IonicContact CZ-OE2 3.66Å; R182-E200 IonicContact NE-OE2 3.62Å; R182-E200 IonicContact NH1-OE1 3.99Å; R182-E200 PolarHBondContact NH1-OE1 3.16Å; R182-E200 IonicContact NH1-OE2 2.66Å; R182-E200 PolarHBondContact NH1-OE2 3.02Å; S198-E200 PolarHBondContact OG-N 3.49Å
201	G	69.7	Low	78.7	Confident	87 Å²	87	78.8 Å²	78.8	90%	0.897	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	17.9	178.8	0	0	0	0	0	115.4
202	G	68.1	Low	79.1	Confident	73 Å²	73	77.8 Å²	77.8	75%	0.753	48%	0.484	S	S	*	.	S	Bend	trans	88.9	8.3	174.9	0	0	0	0	0	114.4	R204	G202-R204 PolarHBondContact O-N 3.29Å
203	Q	71.8	Confident	79.2	Confident	128 Å²	128	85 Å²	85	60%	0.598	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-71.2	120.8	169.8	-67.7	179	-79.2	0	0	109.3	C199	C199-Q203 WeakPolarHBondContact CA-O 3.31Å; C199-Q203 VanDerWaalsContact CB-O 3.3Å; C199-Q203 WeakPolarHBondContact CB-O 3.37Å
204	R	80.3	Confident	79.2	Confident	243 Å²	243	83.9 Å²	83.9	92%	0.917	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-79.2	137.2	173.1	-73.8	-177.4	147.1	-176.6	-6.9	109.6	G202	G202-R204 PolarHBondContact O-N 3.29Å
205	C	82.9	Confident	79.5	Confident	27 Å²	27	75.9 Å²	75.9	18%	0.182	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-65	152.8	170	-58.6	0	0	0	0	111	C216	C205-C216 WeakPolarHBondContact CA-SG 3.43Å; C205-C216 HydrophobicContact CB-CB 3.7Å; C205-C216 WeakPolarHBondContact CB-SG 3.46Å; C205-C216 WeakPolarHBondContact SG-CA 3.33Å; C205-C216 WeakPolarHBondContact SG-CB 3.47Å; C205-C216 CovalentContact SG-SG 2.04Å; C205-C216 PolarHBondContact SG-SG 3.34Å
206	N	80.8	Confident	79.9	Confident	124 Å²	124	74.3 Å²	74.3	66%	0.663	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-65.3	161.7	177.2	-153	18.8	0	0	0	111.1	G208 Y209	N206-G208 PolarHBondContact O-N 2.76Å; N206-Y209 HydrophobicContact CB-CD2 4.28Å; N206-Y209 PolarHBondContact O-N 3.09Å
207	S	78.9	Confident	80	Confident	108 Å²	108	71.4 Å²	71.4	76%	0.755	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	129.8	176.7	56.2	0	0	0	0	111.1
208	G	80.6	Confident	80.3	Confident	33 Å²	33	75.3 Å²	75.3	34%	0.34	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-4.3	-175.2	0	0	0	0	0	114.8	N206 N219	N206-G208 PolarHBondContact O-N 2.76Å; G208-N219 VanDerWaalsContact C-ND2 3.3Å; G208-N219 PolarHBondContact O-N 3.33Å; G208-N219 PolarHBondContact O-ND2 3.3Å
209	Y	83.3	Confident	79.9	Confident	86 Å²	86	76.1 Å²	76.1	34%	0.337	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.7	177.2	-63.1	-94.6	0	0	0	112	A196 N206 C217 R218 N219	A196-Y209 HydrophobicContact CB-CD1 3.68Å; A196-Y209 HydrophobicContact CB-CE1 3.31Å; A196-Y209 HydrophobicContact CB-CE2 4.4Å; A196-Y209 HydrophobicContact CB-CG 4.37Å; N206-Y209 HydrophobicContact CB-CD2 4.28Å; N206-Y209 PolarHBondContact O-N 3.09Å; Y209-C217 CarbonylContact C-O 3.28Å; Y209-C217 WeakPolarHBondContact CA-O 3.02Å; Y209-C217 WeakPolarHBondContact CB-O 3.48Å; Y209-R218 HydrophobicContact CD1-CB 4.32Å; Y209-R218 HydrophobicContact CE1-CB 4.17Å; Y209-R218 HydrophobicContact CE1-CG 4.33Å; Y209-N219 PolarHBondContact N-ND2 2.92Å; Y209-N219 PolarHBondContact O-ND2 3.02Å
210	T	83.5	Confident	78.9	Confident	65 Å²	65	80.6 Å²	80.6	40%	0.399	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.3	172.8	-173.5	0	0	0	0	110.2	D212 C216 C217 N219	T210-D212 PolarHBondContact O-N 3.41Å; T210-C216 CarbonylContact O-C 3.49Å; T210-C216 WeakPolarHBondContact O-CA 2.85Å; T210-C217 PolarHBondContact N-O 2.91Å; T210-C217 PolarHBondContact O-N 3.46Å; T210-N219 VanDerWaalsContact CB-OD1 3.25Å; T210-N219 WeakPolarHBondContact CB-OD1 3.38Å; T210-N219 WeakPolarHBondContact CG2-OD1 3.47Å; T210-N219 PolarHBondContact N-ND2 3.04Å
211	C	83.3	Confident	78.1	Confident	71 Å²	71	85 Å²	85	48%	0.48	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	108.8	176.6	-178.5	0	0	0	0	109.1	C199 M215	C199-C211 HydrophobicContact CB-CB 3.72Å; C199-C211 WeakPolarHBondContact CB-SG 3.38Å; C199-C211 WeakPolarHBondContact SG-CA 3.04Å; C199-C211 WeakPolarHBondContact SG-CB 3.48Å; C199-C211 CovalentContact SG-SG 2.01Å; C199-C211 PolarHBondContact SG-SG 2.87Å; C211-M215 CarbonylContact C-O 3.57Å; C211-M215 VanDerWaalsContact CA-O 3.3Å; C211-M215 WeakPolarHBondContact CA-O 3.49Å
212	D	83.6	Confident	77.2	Confident	47 Å²	47	84.2 Å²	84.2	25%	0.251	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.6	173.6	-172.3	52.9	0	0	0	109.8	P190 T210 G214 M215 C217	P190-D212 WeakPolarHBondContact CG-OD2 3.33Å; T210-D212 PolarHBondContact O-N 3.41Å; D212-G214 PolarHBondContact O-N 3.4Å; D212-M215 PolarHBondContact N-O 3.05Å; D212-M215 WeakPolarHBondContact O-CA 3.4Å; D212-M215 WeakPolarHBondContact O-CB 3.46Å; D212-M215 PolarHBondContact O-N 3.43Å; D212-C217 HydrophobicContact CB-CB 4.43Å
213	R	78	Confident	76.2	Confident	209 Å²	209	82.8 Å²	82.8	79%	0.789	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	35.2	179.7	-57.6	-179.9	-174.3	151.2	3.5	115	M215	R213-M215 HydrophobicContact CB-CE 4.09Å
214	G	80.1	Confident	74.9	Confident	13 Å²	13	84.1 Å²	84.1	13%	0.134	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	9.8	-179.1	0	0	0	0	0	114.7	S198 C199 D212	S198-G214 CarbonylContact C-O 3.59Å; S198-G214 VanDerWaalsContact CA-O 3.31Å; S198-G214 WeakPolarHBondContact CA-O 3.49Å; S198-G214 PolarHBondContact OG-O 2.82Å; C199-G214 PolarHBondContact N-O 2.73Å; D212-G214 PolarHBondContact O-N 3.4Å
215	M	84	Confident	73.2	Confident	12 Å²	12	77.3 Å²	77.3	6%	0.059	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.4	179.9	-52	176.4	-78.3	0	0	112.2	D187 P195 G197 C199 C211 D212 R213 C217	D187-M215 VanDerWaalsContact CA-SD 3.55Å; D187-M215 HydrophobicContact CB-CG 4.46Å; D187-M215 HydrophobicContact CB-SD 3.32Å; D187-M215 WeakPolarHBondContact CB-SD 3.34Å; P195-M215 HydrophobicContact CB-CB 3.75Å; P195-M215 HydrophobicContact CB-CG 4.39Å; P195-M215 HydrophobicContact CB-SD 4.29Å; P195-M215 HydrophobicContact CG-CB 4.39Å; P195-M215 HydrophobicContact CG-SD 4.04Å; G197-M215 CarbonylContact O-C 3.57Å; G197-M215 WeakPolarHBondContact O-CA 3.26Å; C199-M215 VanDerWaalsContact SG-C 3.57Å; C199-M215 PolarHBondContact SG-N 3.35Å; C199-M215 PolarHBondContact SG-O 2.97Å; C211-M215 CarbonylContact C-O 3.57Å; C211-M215 VanDerWaalsContact CA-O 3.3Å; C211-M215 WeakPolarHBondContact CA-O 3.49Å; D212-M215 PolarHBondContact N-O 3.05Å; D212-M215 WeakPolarHBondContact O-CA 3.4Å; D212-M215 WeakPolarHBondContact O-CB 3.46Å; D212-M215 PolarHBondContact O-N 3.43Å; R213-M215 HydrophobicContact CB-CE 4.09Å; M215-C217 PolarHBondContact O-N 2.86Å
216	C	88.1	Confident	71.2	Confident	8 Å²	8	82.6 Å²	82.6	5%	0.054	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	100.5	175	-68.1	0	0	0	0	111.2	P195 A196 G197 C205 T210	P195-C216 CarbonylContact C-O 3.58Å; P195-C216 WeakPolarHBondContact CA-O 3.39Å; A196-C216 HydrophobicContact CB-CB 4.47Å; A196-C216 PolarHBondContact N-O 3.4Å; G197-C216 PolarHBondContact O-N 2.96Å; C205-C216 WeakPolarHBondContact CA-SG 3.43Å; C205-C216 HydrophobicContact CB-CB 3.7Å; C205-C216 WeakPolarHBondContact CB-SG 3.46Å; C205-C216 WeakPolarHBondContact SG-CA 3.33Å; C205-C216 WeakPolarHBondContact SG-CB 3.47Å; C205-C216 CovalentContact SG-SG 2.04Å; C205-C216 PolarHBondContact SG-SG 3.34Å; T210-C216 CarbonylContact O-C 3.49Å; T210-C216 WeakPolarHBondContact O-CA 2.85Å
217	C	86.3	Confident	69.3	Low	5 Å²	5	81.3 Å²	81.3	3%	0.034	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	146.8	-179.6	-69	0	0	0	0	112.1	C189 Y209 T210 D212 M215 N219	C189-C217 WeakPolarHBondContact CA-SG 3.33Å; C189-C217 HydrophobicContact CB-CB 3.7Å; C189-C217 WeakPolarHBondContact CB-SG 3.49Å; C189-C217 WeakPolarHBondContact SG-CA 3.26Å; C189-C217 WeakPolarHBondContact SG-CB 3.38Å; C189-C217 CovalentContact SG-SG 2.04Å; C189-C217 PolarHBondContact SG-SG 3.29Å; Y209-C217 CarbonylContact C-O 3.28Å; Y209-C217 WeakPolarHBondContact CA-O 3.02Å; Y209-C217 WeakPolarHBondContact CB-O 3.48Å; T210-C217 PolarHBondContact N-O 2.91Å; T210-C217 PolarHBondContact O-N 3.46Å; D212-C217 HydrophobicContact CB-CB 4.43Å; M215-C217 PolarHBondContact O-N 2.86Å; C217-N219 PolarHBondContact O-N 3.49Å
218	R	84.7	Confident	67.2	Low	118 Å²	118	79.3 Å²	79.3	45%	0.445	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.9	-178.6	-157	177.9	170.5	167.4	-7.4	109.6	Y209 L220 D223	Y209-R218 HydrophobicContact CD1-CB 4.32Å; Y209-R218 HydrophobicContact CE1-CB 4.17Å; Y209-R218 HydrophobicContact CE1-CG 4.33Å; R218-L220 PolarHBondContact O-N 3.34Å; R218-D223 WeakPolarHBondContact CD-OD2 3.48Å; R218-D223 WeakPolarHBondContact CG-OD2 3.33Å; R218-D223 IonicContact CZ-OD1 3.67Å; R218-D223 VanDerWaalsContact CZ-OD1 3.26Å; R218-D223 IonicContact CZ-OD2 2.86Å; R218-D223 IonicContact NE-OD1 3.26Å; R218-D223 PolarHBondContact NE-OD1 3.5Å; R218-D223 VanDerWaalsContact NE-OD1 3.08Å; R218-D223 IonicContact NE-OD2 3.56Å; R218-D223 PolarHBondContact NE-OD2 3.06Å; R218-D223 IonicContact NH2-OD1 3.19Å; R218-D223 PolarHBondContact NH2-OD1 3.46Å; R218-D223 IonicContact NH2-OD2 2.72Å
219	N	73.7	Confident	65.2	Low	42 Å²	42	82.7 Å²	82.7	23%	0.225	46%	0.459	C	S	.	.			trans	-70.6	101.8	176.8	-80.9	-62.5	0	0	0	109.4	G208 Y209 T210 C217 Q221 T222 D223	G208-N219 VanDerWaalsContact C-ND2 3.3Å; G208-N219 PolarHBondContact O-N 3.33Å; G208-N219 PolarHBondContact O-ND2 3.3Å; Y209-N219 PolarHBondContact N-ND2 2.92Å; Y209-N219 PolarHBondContact O-ND2 3.02Å; T210-N219 VanDerWaalsContact CB-OD1 3.25Å; T210-N219 WeakPolarHBondContact CB-OD1 3.38Å; T210-N219 WeakPolarHBondContact CG2-OD1 3.47Å; T210-N219 PolarHBondContact N-ND2 3.04Å; C217-N219 PolarHBondContact O-N 3.49Å; N219-Q221 PolarHBondContact O-N 2.91Å; N219-T222 HydrophobicContact CB-CG2 4.24Å; N219-T222 VanDerWaalsContact CB-OG1 3.22Å; N219-T222 WeakPolarHBondContact CB-OG1 3.47Å; N219-T222 PolarHBondContact O-N 3.3Å; N219-T222 PolarHBondContact O-OG1 3.46Å; N219-D223 PolarHBondContact O-N 2.99Å
220	L	61.4	Low	63.1	Low	105 Å²	105	85.6 Å²	85.6	55%	0.55	48%	0.48	S	S	.	.	H	α-helix	trans	-59.8	-18	173.7	-70.5	161.3	0	0	0	112.9	D191 R218 T222	D191-L220 HydrophobicContact CB-CD1 3.77Å; D191-L220 HydrophobicContact CB-CD2 4.07Å; D191-L220 HydrophobicContact CB-CG 4.34Å; R218-L220 PolarHBondContact O-N 3.34Å; L220-T222 VanDerWaalsContact C-N 3.3Å
221	Q	56.3	Low	60.9	Low	182 Å²	182	86.5 Å²	86.5	85%	0.85	50%	0.502	S	S	*	.	H	α-helix	trans	-76.7	-11.6	171.3	-92.3	154.9	13	0	0	114.2	N219	N219-Q221 PolarHBondContact O-N 2.91Å
222	T	52.3	Low	58.8	Low	69 Å²	69	89.5 Å²	89.5	42%	0.423	51%	0.513	S	S	.	.	H	α-helix	trans	-103.6	-11.8	174.2	48.9	0	0	0	0	114	N219 L220	N219-T222 HydrophobicContact CB-CG2 4.24Å; N219-T222 VanDerWaalsContact CB-OG1 3.22Å; N219-T222 WeakPolarHBondContact CB-OG1 3.47Å; N219-T222 PolarHBondContact O-N 3.3Å; N219-T222 PolarHBondContact O-OG1 3.46Å; L220-T222 VanDerWaalsContact C-N 3.3Å
223	D	46.6	Very low	56.8	Low	43 Å²	43	93 Å²	93	23%	0.23	54%	0.539	C	S	.	.	H	α-helix	trans	-102.4	-15.2	-176.5	-63.5	-53.6	0	0	0	114.6	R218 N219 S225	R218-D223 WeakPolarHBondContact CD-OD2 3.48Å; R218-D223 WeakPolarHBondContact CG-OD2 3.33Å; R218-D223 IonicContact CZ-OD1 3.67Å; R218-D223 VanDerWaalsContact CZ-OD1 3.26Å; R218-D223 IonicContact CZ-OD2 2.86Å; R218-D223 IonicContact NE-OD1 3.26Å; R218-D223 PolarHBondContact NE-OD1 3.5Å; R218-D223 VanDerWaalsContact NE-OD1 3.08Å; R218-D223 IonicContact NE-OD2 3.56Å; R218-D223 PolarHBondContact NE-OD2 3.06Å; R218-D223 IonicContact NH2-OD1 3.19Å; R218-D223 PolarHBondContact NH2-OD1 3.46Å; R218-D223 IonicContact NH2-OD2 2.72Å; N219-D223 PolarHBondContact O-N 2.99Å; D223-S225 PolarHBondContact O-N 3.42Å
224	N	45.4	Very low	55.4	Low	156 Å²	156	88.8 Å²	88.8	83%	0.834	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	11.1	170.1	-141.2	10.2	0	0	0	113.1
225	S	42.8	Very low	53.3	Low	101 Å²	101	98.9 Å²	98.9	71%	0.706	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136	6.3	177.4	-55	0	0	0	0	113.8	D223	D223-S225 PolarHBondContact O-N 3.42Å
226	N	41	Very low	51.2	Low	137 Å²	137	101.5 Å²	101.5	73%	0.733	61%	0.607	S	S	*	*	S	Bend	trans	-156	35.9	-173.7	-118.8	-3.4	0	0	0	116.3
227	S	41.7	Very low	49.3	Very low	97 Å²	97	107.8 Å²	107.8	68%	0.678	65%	0.645	S	S	*	*			trans	-135.6	28.9	160.6	-69.9	0	0	0	0	112.2
228	G	34.5	Very low	47.2	Very low	67 Å²	67	114.7 Å²	114.7	69%	0.691	68%	0.68	S	S	*	*	S	Bend	trans	-88	106.9	150.2	0	0	0	0	0	107.1	N230	G228-N230 PolarHBondContact O-N 3.08Å
229	S	38.4	Very low	45	Very low	104 Å²	104	116 Å²	116	73%	0.727	70%	0.695	S	S	*	*			trans	-35.6	126.4	153.7	-58.8	0	0	0	0	109.1
230	N	40.6	Very low	43.4	Very low	147 Å²	147	122.2 Å²	122.2	79%	0.786	72%	0.719	S	S	*	*				164.3	113	125.4	-76.9	-27.1	0	0	0	108.6	G228 N232	G228-N230 PolarHBondContact O-N 3.08Å; N230-N232 VanDerWaalsContact C-N 3.27Å; N230-N232 PolarHBondContact O-N 3.34Å
231	G	37.1	Very low	42.4	Very low	84 Å²	84	124 Å²	124	87%	0.866	73%	0.725	S	S	*	*			trans	-54.8	104.3	140.9	0	0	0	0	0	107.8
232	N	38.8	Very low	41.6	Very low	134 Å²	134	123.2 Å²	123.2	72%	0.717	73%	0.725	S	S	*	*				-178.9	126.9	125.8	-134.4	-19.3	0	0	0	108.3	N230	N230-N232 VanDerWaalsContact C-N 3.27Å; N230-N232 PolarHBondContact O-N 3.34Å
233	P	41.3	Very low	40.7	Very low	120 Å²	120	124.8 Å²	124.8	78%	0.779	75%	0.745	S	S	*	*			trans	-86.7	118.6	179.7	32.8	-26.8	0	0	0	109.5
234	T	49	Very low	40.4	Very low	121 Å²	121	126 Å²	126	74%	0.742	77%	0.767	S	S	*	*			trans	-140	108.1	168.9	53.1	0	0	0	0	111.8
235	F	35.2	Very low	40.2	Very low	225 Å²	225	126.6 Å²	126.6	99%	0.987	77%	0.765	S	S	*	*			trans	27.7	107.1	143	-111.2	-100.6	0	0	0	118.2
236	G	40.9	Very low	40.2	Very low	66 Å²	66	129.8 Å²	129.8	68%	0.68	77%	0.766	S	S	*	*			trans	130	117.2	168.9	0	0	0	0	0	109.8
237	T	47.1	Very low	40.4	Very low	141 Å²	141	130.9 Å²	130.9	87%	0.865	77%	0.772	S	S	*	*			cis	-155.7	123.2	21.1	-60.5	0	0	0	0	107.5
238	I	41.8	Very low	40.9	Very low	150 Å²	150	131.4 Å²	131.4	77%	0.769	77%	0.773	S	S	*	*			trans	-69	142.9	167.3	-66.4	157	0	0	0	106.9
239	I	38.8	Very low	41.3	Very low	146 Å²	146	134.5 Å²	134.5	75%	0.749	77%	0.773	S	S	*	*			trans	88.2	110.2	162.8	-42.3	-165	0	0	0	118.1
240	K	40.3	Very low	41.8	Very low	171 Å²	171	137.9 Å²	137.9	74%	0.743	78%	0.777	S	S	*	*				-160	116.2	118.2	-111	-174	173.5	-167.5	0	114.8
241	E	41.8	Very low	41.9	Very low	144 Å²	144	134.9 Å²	134.9	67%	0.673	78%	0.781	S	S	*	*			trans	59	100.4	141.2	-65.9	162.4	180	0	0	117.8
242	I	39	Very low	42.2	Very low	165 Å²	165	134.1 Å²	134.1	85%	0.846	77%	0.774	S	S	*	*				59.4	103.9	67.4	-51.9	177.1	0	0	0	114.4
243	A	33.2	Very low	42.5	Very low	102 Å²	102	133.1 Å²	133.1	84%	0.843	78%	0.777	S	S	*	*			trans	59.3	135.4	143.2	0	0	0	0	0	122
244	G	40.2	Very low	42.3	Very low	67 Å²	67	134.3 Å²	134.3	69%	0.691	78%	0.776	S	S	*	*			trans	130.4	87.8	159.7	0	0	0	0	0	112.2
245	Q	41.8	Very low	42	Very low	169 Å²	169	138.4 Å²	138.4	79%	0.79	78%	0.784	S	S	*	*				68.2	137.2	88.8	-73.2	-165.2	-15.8	0	0	115.9
246	F	42.6	Very low	42.7	Very low	168 Å²	168	135.9 Å²	135.9	74%	0.737	78%	0.776	S	S	*	*			trans	92.4	86.9	161.6	-66.6	-77.5	0	0	0	120.3
247	L	44.3	Very low	42.8	Very low	161 Å²	161	139 Å²	139	84%	0.843	78%	0.783	S	S	*	*				53	154.3	116.9	-71.2	173.6	0	0	0	122.6
248	P	52.5	Low	42.7	Very low	108 Å²	108	135.9 Å²	135.9	70%	0.701	78%	0.779	S	S	*	*			trans	-109.6	170	-149.8	42.5	-32.9	0	0	0	114.4
249	N	42.6	Very low	42.9	Very low	131 Å²	131	138.5 Å²	138.5	70%	0.701	79%	0.789	S	S	*	*			trans	-173.5	120.9	149.1	-114.8	9.9	0	0	0	109.6
250	E	48.3	Very low	43.2	Very low	175 Å²	175	134.9 Å²	134.9	82%	0.818	79%	0.787	S	S	*	*				89.4	127.5	89.5	-84.3	-170	141.1	0	0	114.4
251	G	44.1	Very low	43.8	Very low	84 Å²	84	135 Å²	135	87%	0.866	79%	0.794	S	S	*	*			trans	115.1	104	141.6	0	0	0	0	0	118.5
252	G	41.7	Very low	43.7	Very low	69 Å²	69	132.4 Å²	132.4	71%	0.711	81%	0.805	S	S	*	*				113.1	116.9	117.4	0	0	0	0	0	120.5
253	S	45.6	Very low	44	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	80%	0.798	S	S	*	*			trans	84.9	103.3	135.5	-34.6	0	0	0	0	118.7
254	L	38.4	Very low	44.6	Very low	145 Å²	145	130.4 Å²	130.4	76%	0.759	80%	0.798	S	S	*	*				60	116.1	92.1	-98.6	145.9	0	0	0	114.4
255	F	41	Very low	45	Very low	207 Å²	207	137.7 Å²	137.7	91%	0.908	81%	0.811	S	S	*	*				-174.9	144.6	124.5	-95.3	-71	0	0	0	112.2
256	Q	51.7	Low	45.5	Very low	172 Å²	172	140.8 Å²	140.8	80%	0.804	82%	0.815	S	S	*	*			trans	-78.6	168.4	-165.4	-90.6	169.2	25.1	0	0	116.3
257	P	42.7	Very low	45.9	Very low	130 Å²	130	139 Å²	139	84%	0.844	82%	0.82	S	S	*	*			trans	-82.6	134.2	-176.9	33.8	-31.7	0	0	0	112.3
258	G	44.5	Very low	46	Very low	76 Å²	76	139.3 Å²	139.3	78%	0.784	82%	0.823	S	S	*	*			trans	-116.7	139.4	178.7	0	0	0	0	0	112.5
259	Q	46.8	Very low	45.4	Very low	206 Å²	206	137 Å²	137	96%	0.963	82%	0.819	S	S	*	*			trans	-57.2	154.6	-177.6	-64.6	156.5	-17.7	0	0	114.8
260	G	45.4	Very low	45.4	Very low	69 Å²	69	138.4 Å²	138.4	71%	0.711	83%	0.826	S	S	*	*			trans	-168.7	77.8	174.9	0	0	0	0	0	117.2
261	I	52.6	Low	45.5	Very low	175 Å²	175	139 Å²	139	90%	0.897	83%	0.831	S	S	*	*			trans	32.9	120.1	135.5	36.4	169.2	0	0	0	122.2
262	G	38.3	Very low	45.4	Very low	88 Å²	88	145.3 Å²	145.3	91%	0.907	83%	0.829	S	S	*	*				89.4	125.9	113.6	0	0	0	0	0	120.8
263	G	45.9	Very low	45.7	Very low	68 Å²	68	148.8 Å²	148.8	70%	0.701	83%	0.827	S	S	*	*			trans	147.2	82.8	160.6	0	0	0	0	0	113.7
264	L	45.5	Very low	45.6	Very low	158 Å²	158	151.7 Å²	151.7	83%	0.827	83%	0.828	S	S	*	*				48.4	90.9	89.4	-88	161.1	0	0	0	115.7
265	F	49.5	Very low	46.1	Very low	219 Å²	219	148.1 Å²	148.1	96%	0.961	83%	0.826	S	S	*	*			trans	-149.1	130.6	145.9	-78.5	-72	0	0	0	112.1
266	R	51.1	Low	46.8	Very low	234 Å²	234	144.1 Å²	144.1	88%	0.883	82%	0.821	S	S	*	*			trans	-84.3	156.4	-172.3	-65.1	163.7	140.6	-169.2	-6.7	112.6
267	P	50.6	Low	46.6	Very low	130 Å²	130	142 Å²	142	84%	0.844	82%	0.822	S	S	*	*			trans	-94	138.4	159.9	35	-25.9	0	0	0	110.5
268	N	46.5	Very low	46.9	Very low	168 Å²	168	143.4 Å²	143.4	90%	0.898	82%	0.819	S	S	*	*			trans	-125.8	113.7	167.8	-158.2	12.6	0	0	0	108.5
269	G	40	Very low	47.1	Very low	60 Å²	60	147.6 Å²	147.6	62%	0.619	82%	0.824	S	S	*	*			trans	-113.5	126.3	173.4	0	0	0	0	0	109.9
270	N	43.6	Very low	47.2	Very low	160 Å²	160	147.8 Å²	147.8	86%	0.856	82%	0.816	S	S	*	*			trans	178.2	106.5	150.7	-105.8	-32.3	0	0	0	111.4
271	M	49.4	Very low	47.8	Very low	188 Å²	188	149.6 Å²	149.6	93%	0.926	82%	0.815	S	S	*	*			trans	-153.8	102.7	149.9	-80.1	-154.8	-87.9	0	0	104.9
272	R	43.5	Very low	48.1	Very low	216 Å²	216	146.7 Å²	146.7	82%	0.815	81%	0.808	S	S	*	*				42.7	95.9	69.3	-92.9	-167.3	175.4	-162.4	-0.8	113.7
273	Q	46.3	Very low	49.4	Very low	143 Å²	143	148.1 Å²	148.1	67%	0.668	80%	0.801	S	S	*	*				133.5	125.8	118.4	-79.3	179.2	92.4	0	0	116.9
274	Q	43.6	Very low	49.9	Very low	173 Å²	173	151.9 Å²	151.9	81%	0.808	81%	0.805	S	S	*	*			trans	73.4	109.4	139	-63.5	177.7	45.5	0	0	119.3
275	G	48.6	Very low	49.8	Very low	71 Å²	71	155.4 Å²	155.4	73%	0.732	81%	0.809	S	S	*	*			trans	-115.7	153.8	160.4	0	0	0	0	0	111.3
276	P	57	Low	50.1	Low	122 Å²	122	153.6 Å²	153.6	79%	0.792	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-86.6	169.7	-159.8	35.8	-35.6	0	0	0	114.4
277	P	46.6	Very low	49.8	Very low	128 Å²	128	145.1 Å²	145.1	83%	0.831	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-78.8	130.4	-178.2	32.3	-32	0	0	0	111.2
278	M	49.8	Very low	49.6	Very low	159 Å²	159	147.3 Å²	147.3	78%	0.783	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-86.7	116.6	167.4	-84.4	-146.1	-81.1	0	0	110.4
279	N	49	Very low	49.6	Very low	165 Å²	165	147.2 Å²	147.2	88%	0.882	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-82.3	119.3	171.7	-143.4	4.1	0	0	0	107.8
280	W	47.8	Very low	49.8	Very low	209 Å²	209	150.8 Å²	150.8	79%	0.792	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-93.2	133.4	176.1	-70.6	88.3	0	0	0	109.9
281	P	58.6	Low	49.6	Very low	108 Å²	108	151.5 Å²	151.5	70%	0.701	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-73.2	151.2	173.2	30.7	-32.2	0	0	0	110.8
282	P	59.3	Low	49.5	Very low	114 Å²	114	157 Å²	157	74%	0.74	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-72.6	155.1	174.3	30.8	-33	0	0	0	111.2
283	P	64.8	Low	49.8	Very low	118 Å²	118	154.1 Å²	154.1	77%	0.766	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.2	130.5	177.3	29.1	-31.4	0	0	0	111.3	Y285	P283-Y285 PolarHBondContact O-N 3.43Å
284	D	56.6	Low	50	Low	147 Å²	147	154.6 Å²	154.6	79%	0.786	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-57.5	121.3	171.9	-86.8	-60.2	0	0	0	111.5	H286	D284-H286 PolarHBondContact O-N 3.37Å
285	Y	44	Very low	50.3	Low	231 Å²	231	153.6 Å²	153.6	91%	0.906	81%	0.806	S	S	*	*			trans	-80.5	97.8	164.4	-104.5	-98.1	0	0	0	108.4	P283 G287	P283-Y285 PolarHBondContact O-N 3.43Å; Y285-G287 PolarHBondContact O-N 3.42Å
286	H	54.8	Low	50.4	Low	181 Å²	181	158.5 Å²	158.5	84%	0.838	81%	0.81	S	S	*	*			trans	-77.3	99.8	161.4	-88.2	-74.8	0	0	0	109.5	D284	D284-H286 PolarHBondContact O-N 3.37Å
287	G	45.1	Very low	50	Low	57 Å²	57	160.8 Å²	160.8	59%	0.588	81%	0.811	S	S	*	*			trans	-89.7	151.6	162.3	0	0	0	0	0	112.1	Y285	Y285-G287 PolarHBondContact O-N 3.42Å
288	Q	45.9	Very low	50.3	Low	176 Å²	176	162.9 Å²	162.9	82%	0.822	81%	0.81	S	S	*	*			trans	72.7	117.4	155.6	-71.9	155	25.2	0	0	118.4
289	H	46.7	Very low	50.3	Low	165 Å²	165	163.2 Å²	163.2	76%	0.764	81%	0.812	S	S	*	*				-173	123.7	95.1	-101.2	-82.2	0	0	0	111.8
290	D	44.4	Very low	50.4	Low	135 Å²	135	163.1 Å²	163.1	72%	0.722	81%	0.806	S	S	*	*			trans	22.8	122.5	146.2	-52.3	-58.1	0	0	0	120.6
291	M	39.1	Very low	50.6	Low	176 Å²	176	159.3 Å²	159.3	87%	0.867	81%	0.807	S	S	*	*			trans	-156.1	134.3	135.5	-81.7	-131.3	-144	0	0	110.3
292	Y	47.8	Very low	49.9	Very low	303 Å²	303	163.9 Å²	163.9	100%	1.188	82%	0.817	S	S	*	*			trans	89.9	0	-178.6	-64.4	-81.4	0	0	0	117.8

Retrieved 292 of 292 residues in 98.8 ms (Link to these results)

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