Q32JR9_SHIDS Loading...

Protein rof

Suppresses temperature-sensitive mutations in essential genes by modulating rho-dependent transcription termination.

AlphaFold DB , UniProt , Accession Q32JR9, Species SHIDS (Shigella dysenteriae serotype 1 (strain Sd197)), Gene yaeO, Length 86 aa.

						>Q32JR9_SHIDS|Q32JR9|yaeO
MSMNDTYQPINCDDYDNLELACQHHLMLTLELKDGEKLQAKASDLVSRKNVEYLVVEAAGETRELRLDKITSFSHPEIGTVVVSES
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	42.9	Very low	237 Å²	237	130.9 Å²	130.9	100%	1.167	69%	0.691	S	S	*	*				0	127.7	0	-68.3	-141.1	130.1	0	0	107.2
2	S	46.8	Very low	42.7	Very low	108 Å²	108	128.7 Å²	128.7	76%	0.755	69%	0.692	S	S	*	*			trans	33.7	98.5	161.8	-46	0	0	0	0	116.5	N4	S2-N4 PolarHBondContact O-N 3.4Å; S2-N4 VanDerWaalsContact O-N 3.07Å
3	M	45.7	Very low	43	Very low	190 Å²	190	126.9 Å²	126.9	94%	0.936	68%	0.682	S	S	*	*			trans	-45.7	118.6	161.6	-80	66.3	179.2	0	0	108.4
4	N	41.3	Very low	43.4	Very low	141 Å²	141	120.6 Å²	120.6	75%	0.754	65%	0.648	S	S	*	*			trans	-38.8	135.9	177	-98.9	-143.6	0	0	0	113.2	S2	S2-N4 PolarHBondContact O-N 3.4Å; S2-N4 VanDerWaalsContact O-N 3.07Å
5	D	48.8	Very low	43.8	Very low	116 Å²	116	120 Å²	120	62%	0.62	63%	0.634	S	S	*	*				57.2	70.7	127.9	-132.7	-99.9	0	0	0	116.1
6	T	41.1	Very low	44.4	Very low	143 Å²	143	119.4 Å²	119.4	88%	0.877	63%	0.631	S	S	*	*	S	Bend	trans	-122.8	18	164.2	-38.2	0	0	0	0	112.8
7	Y	42.5	Very low	44.5	Very low	121 Å²	121	115.5 Å²	115.5	48%	0.475	61%	0.611	S	S	.	*	S	Bend	trans	-109.7	116.6	140.7	-163.9	-113.1	0	0	0	102.3	P9	Y7-P9 VanDerWaalsContact C-CD 3.46Å; Y7-P9 VanDerWaalsContact C-N 3.27Å; Y7-P9 HydrophobicContact CD1-CB 4.15Å; Y7-P9 HydrophobicContact CE1-CB 4.41Å; Y7-P9 WeakPolarHBondContact O-CD 3.33Å
8	Q	43.9	Very low	44.8	Very low	168 Å²	168	110.1 Å²	110.1	79%	0.785	58%	0.582	S	S	*	*			trans	-70.3	101.3	153.1	-74.2	-178	-76	0	0	102.6	I10	Q8-I10 PolarHBondContact O-N 3.07Å
9	P	42.6	Very low	45.3	Very low	73 Å²	73	111.3 Å²	111.3	47%	0.474	58%	0.584	S	S	.	*			trans	-50	135	162.7	25.5	-33.6	0	0	0	105.9	Y7 N11	Y7-P9 VanDerWaalsContact C-CD 3.46Å; Y7-P9 VanDerWaalsContact C-N 3.27Å; Y7-P9 HydrophobicContact CD1-CB 4.15Å; Y7-P9 HydrophobicContact CE1-CB 4.41Å; Y7-P9 WeakPolarHBondContact O-CD 3.33Å; P9-N11 PolarHBondContact O-N 2.88Å
10	I	40.9	Very low	45.9	Very low	50 Å²	50	109.9 Å²	109.9	26%	0.256	58%	0.577	S	S	.	*	S	Bend	trans	-42.3	133	155.9	-41.6	-66.9	0	0	0	104.7	Q8 C12 D14 L18 E52	Q8-I10 PolarHBondContact O-N 3.07Å; I10-C12 PolarHBondContact O-N 2.88Å; I10-D14 HydrophobicContact CB-CB 4.12Å; I10-D14 HydrophobicContact CG2-CB 3.16Å; I10-D14 VanDerWaalsContact CG2-CG 3.5Å; I10-L18 HydrophobicContact CG2-CD1 4.37Å; I10-E52 WeakPolarHBondContact CD1-OE2 3.38Å; I10-E52 WeakPolarHBondContact CG1-OE2 3.29Å
11	N	36.9	Very low	46.1	Very low	93 Å²	93	105 Å²	105	50%	0.497	55%	0.552	S	S	.	*			trans	-44.9	143	-161.8	-157.6	-48.9	0	0	0	109.4	P9 D13 D14 Y15	P9-N11 PolarHBondContact O-N 2.88Å; N11-D13 HydrophobicContact CB-CB 4.21Å; N11-D13 CarbonylContact O-C 3.54Å; N11-D13 PolarHBondContact O-N 3.38Å; N11-D13 PolarHBondContact OD1-N 3.02Å; N11-D14 HydrophobicContact CB-CB 4.22Å; N11-D14 WeakPolarHBondContact CB-OD2 3.36Å; N11-D14 PolarHBondContact N-OD2 2.74Å; N11-D14 CarbonylContact O-C 3.48Å; N11-D14 VanDerWaalsContact O-CA 3.3Å; N11-D14 WeakPolarHBondContact O-CA 3.21Å; N11-D14 WeakPolarHBondContact O-CB 3.33Å; N11-D14 PolarHBondContact O-N 3.48Å; N11-Y15 PolarHBondContact O-N 2.85Å
12	C	40.3	Very low	46.5	Very low	104 Å²	104	95 Å²	95	70%	0.703	51%	0.505	S	S	*	.	H	α-helix	trans	-54	-28.2	175.7	-166.8	0	0	0	0	110.7	I10 D16	I10-C12 PolarHBondContact O-N 2.88Å; C12-D16 WeakPolarHBondContact O-CB 3.47Å; C12-D16 PolarHBondContact O-N 2.79Å; C12-D16 VanDerWaalsContact O-N 3.12Å
13	D	46.8	Very low	47.1	Very low	106 Å²	106	97.1 Å²	97.1	57%	0.567	50%	0.503	S	S	*	.	H	α-helix	trans	-61.2	-44.6	165.1	-84.8	-91.1	0	0	0	114	N11 N17	N11-D13 HydrophobicContact CB-CB 4.21Å; N11-D13 CarbonylContact O-C 3.54Å; N11-D13 PolarHBondContact O-N 3.38Å; N11-D13 PolarHBondContact OD1-N 3.02Å; D13-N17 WeakPolarHBondContact O-CA 3.14Å; D13-N17 WeakPolarHBondContact O-CB 3.42Å; D13-N17 PolarHBondContact O-N 2.74Å; D13-N17 PolarHBondContact O-ND2 2.87Å
14	D	48.8	Very low	47.6	Very low	39 Å²	39	93.7 Å²	93.7	21%	0.209	49%	0.485	C	S	.	.	H	α-helix	trans	-67.3	-37.3	175	-70.1	-71	0	0	0	112	I10 N11 N17 L18	I10-D14 HydrophobicContact CB-CB 4.12Å; I10-D14 HydrophobicContact CG2-CB 3.16Å; I10-D14 VanDerWaalsContact CG2-CG 3.5Å; N11-D14 HydrophobicContact CB-CB 4.22Å; N11-D14 WeakPolarHBondContact CB-OD2 3.36Å; N11-D14 PolarHBondContact N-OD2 2.74Å; N11-D14 CarbonylContact O-C 3.48Å; N11-D14 VanDerWaalsContact O-CA 3.3Å; N11-D14 WeakPolarHBondContact O-CA 3.21Å; N11-D14 WeakPolarHBondContact O-CB 3.33Å; N11-D14 PolarHBondContact O-N 3.48Å; D14-N17 CarbonylContact O-C 3.57Å; D14-N17 PolarHBondContact O-N 2.94Å; D14-L18 HydrophobicContact CB-CD1 4.41Å; D14-L18 WeakPolarHBondContact O-CA 3.44Å; D14-L18 WeakPolarHBondContact O-CB 3.5Å; D14-L18 VanDerWaalsContact O-CD1 3.28Å; D14-L18 WeakPolarHBondContact O-CD1 3.24Å; D14-L18 WeakPolarHBondContact O-CG 3.23Å; D14-L18 PolarHBondContact O-N 2.91Å
15	Y	48.6	Very low	48.6	Very low	111 Å²	111	89.4 Å²	89.4	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-69.3	-42.8	179	-131.7	-85.7	0	0	0	111.7	N11 L18 E19	N11-Y15 PolarHBondContact O-N 2.85Å; Y15-L18 PolarHBondContact O-N 2.91Å; Y15-E19 PolarHBondContact O-N 2.91Å
16	D	53.8	Low	49.4	Very low	110 Å²	110	84.9 Å²	84.9	59%	0.588	44%	0.436	S	S	*	.	H	α-helix	trans	-64.6	-43.7	172.8	-166	-100.2	0	0	0	110.8	C12 L18 L20	C12-D16 WeakPolarHBondContact O-CB 3.47Å; C12-D16 PolarHBondContact O-N 2.79Å; C12-D16 VanDerWaalsContact O-N 3.12Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.03Å; D16-L20 WeakPolarHBondContact O-CB 3.38Å; D16-L20 PolarHBondContact O-N 2.84Å
17	N	46.3	Very low	51	Low	54 Å²	54	83.3 Å²	83.3	29%	0.289	42%	0.42	S	S	.	.	H	α-helix	trans	-68.7	-24.9	173.4	-72	-31.1	0	0	0	113	D13 D14 A21 I78	D13-N17 WeakPolarHBondContact O-CA 3.14Å; D13-N17 WeakPolarHBondContact O-CB 3.42Å; D13-N17 PolarHBondContact O-N 2.74Å; D13-N17 PolarHBondContact O-ND2 2.87Å; D14-N17 CarbonylContact O-C 3.57Å; D14-N17 PolarHBondContact O-N 2.94Å; N17-A21 WeakPolarHBondContact O-CA 3.4Å; N17-A21 WeakPolarHBondContact O-CB 3.48Å; N17-A21 PolarHBondContact O-N 3.26Å; N17-I78 HydrophobicContact CB-CD1 3.54Å
18	L	50.1	Low	52.4	Low	17 Å²	17	77.9 Å²	77.9	9%	0.089	40%	0.399	C	S	.	.	H	α-helix	trans	-78.8	-41.2	178.1	-82.6	162.9	0	0	0	110.3	I10 D14 Y15 D16 L20 A21 C22 L45	I10-L18 HydrophobicContact CG2-CD1 4.37Å; D14-L18 HydrophobicContact CB-CD1 4.41Å; D14-L18 WeakPolarHBondContact O-CA 3.44Å; D14-L18 WeakPolarHBondContact O-CB 3.5Å; D14-L18 VanDerWaalsContact O-CD1 3.28Å; D14-L18 WeakPolarHBondContact O-CD1 3.24Å; D14-L18 WeakPolarHBondContact O-CG 3.23Å; D14-L18 PolarHBondContact O-N 2.91Å; Y15-L18 PolarHBondContact O-N 2.91Å; D16-L18 VanDerWaalsContact C-N 3.31Å; D16-L18 PolarHBondContact O-N 3.03Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 3.41Å; L18-C22 VanDerWaalsContact O-CB 3.29Å; L18-C22 WeakPolarHBondContact O-CB 3.4Å; L18-C22 PolarHBondContact O-N 3.04Å; L18-C22 PolarHBondContact O-SG 2.82Å; L18-L45 HydrophobicContact CB-CD2 4.34Å; L18-L45 HydrophobicContact CD1-CD2 3.82Å; L18-L45 HydrophobicContact CD2-CD1 4.16Å; L18-L45 HydrophobicContact CD2-CD2 3.96Å; L18-L45 HydrophobicContact CG-CD2 4.25Å
19	E	53.9	Low	54.2	Low	134 Å²	134	71.2 Å²	71.2	63%	0.626	37%	0.37	S	S	*	.	H	α-helix	trans	-58.9	-43.7	167.7	-78.6	-165.2	73.3	0	0	110.5	Y15 Q23	Y15-E19 PolarHBondContact O-N 2.91Å; E19-Q23 PolarHBondContact O-N 2.78Å; E19-Q23 VanDerWaalsContact O-N 3.12Å
20	L	57.9	Low	56	Low	82 Å²	82	67.8 Å²	67.8	43%	0.429	35%	0.347	S	S	.	.	H	α-helix	trans	-70	-41.1	177.9	-158.1	77	0	0	0	112.8	D16 L18 Q23 H24	D16-L20 WeakPolarHBondContact O-CB 3.38Å; D16-L20 PolarHBondContact O-N 2.84Å; L18-L20 VanDerWaalsContact C-N 3.29Å; L18-L20 PolarHBondContact O-N 2.88Å; L20-Q23 CarbonylContact O-C 3.48Å; L20-Q23 WeakPolarHBondContact O-CB 3.39Å; L20-Q23 PolarHBondContact O-N 3.27Å; L20-H24 WeakPolarHBondContact O-CB 3.12Å; L20-H24 PolarHBondContact O-N 3.19Å
21	A	49.5	Very low	58	Low	7 Å²	7	68.1 Å²	68.1	6%	0.058	35%	0.348	C	S	.	.	H	α-helix	trans	-68.9	-37.3	-179.7	0	0	0	0	0	112	N17 L18 H24 H25 L26 I78	N17-A21 WeakPolarHBondContact O-CA 3.4Å; N17-A21 WeakPolarHBondContact O-CB 3.48Å; N17-A21 PolarHBondContact O-N 3.26Å; L18-A21 PolarHBondContact O-N 3.41Å; A21-H24 PolarHBondContact O-N 3.43Å; A21-H25 PolarHBondContact O-N 3.48Å; A21-L26 HydrophobicContact CB-CD1 3.74Å; A21-I78 HydrophobicContact CB-CD1 4.08Å; A21-I78 HydrophobicContact CB-CG1 4.4Å
22	C	50.8	Low	60.3	Low	27 Å²	27	65.8 Å²	65.8	18%	0.182	34%	0.335	C	S	.	.	H	α-helix	trans	-63.5	-42.4	170.1	-67.6	0	0	0	0	110.6	L18 H25 L45	L18-C22 VanDerWaalsContact O-CB 3.29Å; L18-C22 WeakPolarHBondContact O-CB 3.4Å; L18-C22 PolarHBondContact O-N 3.04Å; L18-C22 PolarHBondContact O-SG 2.82Å; C22-H25 PolarHBondContact O-N 3.31Å; C22-L45 PolarHBondContact SG-N 2.96Å; C22-L45 VanDerWaalsContact SG-N 3.37Å
23	Q	58.5	Low	62.1	Low	153 Å²	153	67.4 Å²	67.4	72%	0.715	33%	0.33	S	S	*	.	H	α-helix	trans	-63.9	-40.2	173.6	-83.2	-163.7	98.6	0	0	113.3	E19 L20 H25	E19-Q23 PolarHBondContact O-N 2.78Å; E19-Q23 VanDerWaalsContact O-N 3.12Å; L20-Q23 CarbonylContact O-C 3.48Å; L20-Q23 WeakPolarHBondContact O-CB 3.39Å; L20-Q23 PolarHBondContact O-N 3.27Å; Q23-H25 VanDerWaalsContact C-N 3.27Å; Q23-H25 PolarHBondContact O-N 3.48Å
24	H	57.4	Low	63.4	Low	118 Å²	118	68.8 Å²	68.8	55%	0.546	34%	0.338	S	S	.	.	H	α-helix	trans	-79.2	-9.3	-176.4	-101.4	-126.1	0	0	0	113.7	L20 A21 L26	L20-H24 WeakPolarHBondContact O-CB 3.12Å; L20-H24 PolarHBondContact O-N 3.19Å; A21-H24 PolarHBondContact O-N 3.43Å; H24-L26 VanDerWaalsContact C-N 3.27Å; H24-L26 HydrophobicContact CB-CD1 4.1Å; H24-L26 HydrophobicContact CB-CD2 3.61Å; H24-L26 HydrophobicContact CB-CG 3.55Å; H24-L26 PolarHBondContact O-N 3.06Å
25	H	61.2	Low	64.8	Low	52 Å²	52	69.6 Å²	69.6	24%	0.241	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	46.9	176.9	-153.8	112	0	0	0	111.2	A21 C22 Q23 K41 A42 S43 E57	A21-H25 PolarHBondContact O-N 3.48Å; C22-H25 PolarHBondContact O-N 3.31Å; Q23-H25 VanDerWaalsContact C-N 3.27Å; Q23-H25 PolarHBondContact O-N 3.48Å; H25-K41 WeakPolarHBondContact CD2-CB 3.41Å; H25-K41 WeakPolarHBondContact CD2-CD 3.21Å; H25-K41 WeakPolarHBondContact NE2-CB 3.19Å; H25-K41 WeakPolarHBondContact O-CB 3.49Å; H25-A42 WeakPolarHBondContact CA-O 3.2Å; H25-S43 WeakPolarHBondContact CE1-CB 3.3Å; H25-S43 PolarHBondContact CE1-OG 2.83Å; H25-S43 VanDerWaalsContact CE1-OG 3.27Å; H25-S43 PolarHBondContact ND1-OG 2.76Å; H25-E57 IonicContact NE2-OE1 3.8Å
26	L	65	Low	66.3	Low	20 Å²	20	70.2 Å²	70.2	11%	0.105	36%	0.362	C	S	.	.			trans	-76.3	149.7	-167.1	-59.6	169.4	0	0	0	112.3	A21 H24 L28 K41 A42 H75 E77	A21-L26 HydrophobicContact CB-CD1 3.74Å; H24-L26 VanDerWaalsContact C-N 3.27Å; H24-L26 HydrophobicContact CB-CD1 4.1Å; H24-L26 HydrophobicContact CB-CD2 3.61Å; H24-L26 HydrophobicContact CB-CG 3.55Å; H24-L26 PolarHBondContact O-N 3.06Å; L26-L28 HydrophobicContact CB-CD1 4.3Å; L26-L28 WeakPolarHBondContact O-CD1 2.94Å; L26-L28 PolarHBondContact O-N 2.83Å; L26-K41 CarbonylContact O-C 3.53Å; L26-K41 WeakPolarHBondContact O-CA 3.32Å; L26-A42 PolarHBondContact O-N 3.2Å; L26-H75 WeakPolarHBondContact CB-CE1 3.3Å; L26-H75 WeakPolarHBondContact CB-NE2 3.42Å; L26-H75 WeakPolarHBondContact CD1-NE2 3.28Å; L26-E77 HydrophobicContact CD1-CB 3.92Å; L26-E77 HydrophobicContact CD1-CG 4.34Å; L26-E77 VanDerWaalsContact CD1-OE1 3.23Å; L26-E77 WeakPolarHBondContact CD1-OE1 3.4Å; L26-E77 WeakPolarHBondContact CD2-OE1 3.21Å; L26-E77 VanDerWaalsContact CD2-OE2 3.28Å; L26-E77 WeakPolarHBondContact CD2-OE2 3.23Å
27	M	74.8	Confident	67.7	Low	111 Å²	111	71.4 Å²	71.4	55%	0.547	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	112.5	177.2	-79.3	-174.2	-175.5	0	0	112.4	K41 H75	M27-K41 HydrophobicContact CG-CG 3.7Å; M27-H75 PolarHBondContact O-CE1 2.67Å; M27-H75 PolarHBondContact O-ND1 2.69Å
28	L	73.1	Confident	69.5	Low	6 Å²	6	70.6 Å²	70.6	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	138.6	174.9	-74.6	74.3	0	0	0	110.5	L26 L30 Q39 A40 A42 L54 F73 H75	L26-L28 HydrophobicContact CB-CD1 4.3Å; L26-L28 WeakPolarHBondContact O-CD1 2.94Å; L26-L28 PolarHBondContact O-N 2.83Å; L28-L30 HydrophobicContact CB-CD1 4.44Å; L28-Q39 WeakPolarHBondContact O-CA 3.43Å; L28-A40 PolarHBondContact N-O 3.08Å; L28-A40 PolarHBondContact O-N 2.92Å; L28-A40 VanDerWaalsContact O-O 3.09Å; L28-A42 HydrophobicContact CD1-CB 3.27Å; L28-A42 HydrophobicContact CD2-CB 3.94Å; L28-A42 HydrophobicContact CG-CB 4.17Å; L28-L54 HydrophobicContact CB-CD2 4.42Å; L28-L54 HydrophobicContact CD2-CD1 4Å; L28-L54 HydrophobicContact CD2-CD2 3.37Å; L28-L54 HydrophobicContact CD2-CG 4.26Å; L28-L54 HydrophobicContact CG-CD2 4.43Å; L28-F73 HydrophobicContact CD2-CD2 3.71Å; L28-F73 HydrophobicContact CD2-CE2 3.86Å; L28-H75 VanDerWaalsContact CD1-ND1 3.35Å; L28-H75 WeakPolarHBondContact CD1-ND1 3.16Å; L28-H75 HydrophobicContact CD2-CB 4.47Å; L28-H75 HydrophobicContact CG-CB 4.06Å; L28-H75 VanDerWaalsContact CG-ND1 3.32Å; L28-H75 WeakPolarHBondContact CG-ND1 3.19Å
29	T	81	Confident	71.1	Confident	29 Å²	29	76.4 Å²	76.4	18%	0.178	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	116	169.9	-52.8	0	0	0	0	108.1	K37 L38 Q39 F73 S74	T29-K37 HydrophobicContact CG2-CB 4.24Å; T29-L38 WeakPolarHBondContact CA-O 3.35Å; T29-Q39 HydrophobicContact CG2-CG 4.28Å; T29-Q39 PolarHBondContact OG1-NE2 3Å; T29-F73 CarbonylContact O-C 3.56Å; T29-F73 VanDerWaalsContact O-CA 3.23Å; T29-F73 WeakPolarHBondContact O-CA 3.38Å; T29-F73 WeakPolarHBondContact O-CB 3.35Å; T29-S74 WeakPolarHBondContact CB-O 2.97Å; T29-S74 PolarHBondContact N-O 3.32Å; T29-S74 PolarHBondContact O-N 2.68Å
30	L	81.5	Confident	72.6	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	126	179.8	-54.6	99.8	0	0	0	109.8	L28 K37 L38 A40 L54 V56 L65 I70 F73	L28-L30 HydrophobicContact CB-CD1 4.44Å; L30-K37 CarbonylContact O-C 3.36Å; L30-K37 WeakPolarHBondContact O-CA 3.32Å; L30-L38 PolarHBondContact N-O 3.29Å; L30-L38 PolarHBondContact O-N 3.37Å; L30-A40 HydrophobicContact CD1-CB 4.11Å; L30-L54 HydrophobicContact CD2-CD2 3.68Å; L30-L54 HydrophobicContact CG-CD2 4.49Å; L30-V56 HydrophobicContact CD1-CB 4.36Å; L30-V56 HydrophobicContact CD1-CG1 3.99Å; L30-V56 HydrophobicContact CD1-CG2 3.92Å; L30-V56 HydrophobicContact CD2-CG1 4.12Å; L30-V56 HydrophobicContact CD2-CG2 4.5Å; L30-L65 HydrophobicContact CB-CD1 4.13Å; L30-L65 HydrophobicContact CD1-CD1 4Å; L30-L65 HydrophobicContact CD2-CB 3.85Å; L30-L65 HydrophobicContact CD2-CD1 3.32Å; L30-L65 HydrophobicContact CD2-CG 4.18Å; L30-L65 HydrophobicContact CG-CD1 3.99Å; L30-I70 HydrophobicContact CD2-CD1 3.83Å; L30-F73 HydrophobicContact CG-CB 4.35Å
31	E	82.4	Confident	73.7	Confident	58 Å²	58	70.4 Å²	70.4	27%	0.271	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.5	172.3	-96.6	178.7	44.8	0	0	110.6	K37 I70 T71 S72	E31-K37 HydrophobicContact CG-CB 3.56Å; E31-K37 IonicContact OE2-NZ 2.74Å; E31-K37 PolarHBondContact OE2-NZ 2.77Å; E31-I70 VanDerWaalsContact O-CG2 3.3Å; E31-I70 WeakPolarHBondContact O-CG2 2.96Å; E31-T71 PolarHBondContact O-N 3.09Å; E31-S72 WeakPolarHBondContact CB-O 3.35Å; E31-S72 PolarHBondContact N-O 2.78Å
32	L	83.9	Confident	75	Confident	43 Å²	43	70.2 Å²	70.2	23%	0.225	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	155.6	172.1	-64.9	171.2	0	0	0	110.2	D34 G35 E36 L38 L65 T71	L32-D34 HydrophobicContact CB-CB 4.34Å; L32-D34 PolarHBondContact O-N 3.33Å; L32-G35 PolarHBondContact O-N 2.8Å; L32-E36 HydrophobicContact CD1-CB 4.35Å; L32-E36 PolarHBondContact N-O 3.2Å; L32-L38 HydrophobicContact CD1-CD2 4.37Å; L32-L65 HydrophobicContact CD2-CD2 4.23Å; L32-T71 PolarHBondContact O-OG1 2.94Å
33	K	78.4	Confident	76.2	Confident	139 Å²	139	71 Å²	71	60%	0.604	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.6	169.7	-72.4	-178.1	-179.2	178.4	0	113.5	G35 D68 T71	K33-G35 PolarHBondContact O-N 3.23Å; K33-D68 PolarHBondContact NZ-O 3.41Å; K33-T71 VanDerWaalsContact CA-OG1 3.24Å; K33-T71 WeakPolarHBondContact CA-OG1 3.37Å; K33-T71 WeakPolarHBondContact CG-OG1 3.43Å; K33-T71 PolarHBondContact N-OG1 2.91Å
34	D	74.1	Confident	77	Confident	135 Å²	135	67.5 Å²	67.5	72%	0.722	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.6	173.8	-148.8	-107.7	0	0	0	113	L32 E36	L32-D34 HydrophobicContact CB-CB 4.34Å; L32-D34 PolarHBondContact O-N 3.33Å; D34-E36 VanDerWaalsContact C-N 3.33Å
35	G	78.2	Confident	77.3	Confident	56 Å²	56	63.5 Å²	63.5	58%	0.577	33%	0.326	S	S	*	.	S	Bend	trans	89.4	-3.5	-173.2	0	0	0	0	0	113.6	L32 K33	L32-G35 PolarHBondContact O-N 2.8Å; K33-G35 PolarHBondContact O-N 3.23Å
36	E	79.8	Confident	77.9	Confident	123 Å²	123	63 Å²	63	58%	0.575	33%	0.326	S	S	*	.			trans	-73.4	126.1	170.9	-67.7	-156.2	100	0	0	110.8	L32 D34	L32-E36 HydrophobicContact CD1-CB 4.35Å; L32-E36 PolarHBondContact N-O 3.2Å; D34-E36 VanDerWaalsContact C-N 3.33Å
37	K	84.4	Confident	78	Confident	136 Å²	136	65.4 Å²	65.4	59%	0.591	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.2	169.9	75	-174.3	79.8	-143.9	0	109.9	T29 L30 E31	T29-K37 HydrophobicContact CG2-CB 4.24Å; L30-K37 CarbonylContact O-C 3.36Å; L30-K37 WeakPolarHBondContact O-CA 3.32Å; E31-K37 HydrophobicContact CG-CB 3.56Å; E31-K37 IonicContact OE2-NZ 2.74Å; E31-K37 PolarHBondContact OE2-NZ 2.77Å
38	L	83.4	Confident	77.6	Confident	37 Å²	37	68.1 Å²	68.1	19%	0.194	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	148	175.3	68.2	119.9	0	0	0	111.7	T29 L30 L32 A40	T29-L38 WeakPolarHBondContact CA-O 3.35Å; L30-L38 PolarHBondContact N-O 3.29Å; L30-L38 PolarHBondContact O-N 3.37Å; L32-L38 HydrophobicContact CD1-CD2 4.37Å; L38-A40 HydrophobicContact CD1-CB 4.16Å
39	Q	84	Confident	77.2	Confident	138 Å²	138	77.6 Å²	77.6	65%	0.645	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	121.6	178.9	-65.7	-174.4	-37.4	0	0	109.5	L28 T29	L28-Q39 WeakPolarHBondContact O-CA 3.43Å; T29-Q39 HydrophobicContact CG2-CG 4.28Å; T29-Q39 PolarHBondContact OG1-NE2 3Å
40	A	84.5	Confident	76.4	Confident	3 Å²	3	82.5 Å²	82.5	3%	0.025	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	149.3	-178.2	0	0	0	0	0	109.2	L28 L30 L38 V56 A58	L28-A40 PolarHBondContact N-O 3.08Å; L28-A40 PolarHBondContact O-N 2.92Å; L28-A40 VanDerWaalsContact O-O 3.09Å; L30-A40 HydrophobicContact CD1-CB 4.11Å; L38-A40 HydrophobicContact CD1-CB 4.16Å; A40-V56 HydrophobicContact CB-CB 3.49Å; A40-V56 VanDerWaalsContact CB-CB 3.49Å; A40-V56 HydrophobicContact CB-CG1 4.48Å; A40-V56 HydrophobicContact CB-CG2 3.35Å; A40-A58 HydrophobicContact CB-CB 3.76Å
41	K	82.1	Confident	75.7	Confident	87 Å²	87	84.4 Å²	84.4	38%	0.378	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	118	-174.3	-59.4	-173.2	-170.7	175.8	0	111.7	H25 L26 M27 S43 V56 E57	H25-K41 WeakPolarHBondContact CD2-CB 3.41Å; H25-K41 WeakPolarHBondContact CD2-CD 3.21Å; H25-K41 WeakPolarHBondContact NE2-CB 3.19Å; H25-K41 WeakPolarHBondContact O-CB 3.49Å; L26-K41 CarbonylContact O-C 3.53Å; L26-K41 WeakPolarHBondContact O-CA 3.32Å; M27-K41 HydrophobicContact CG-CG 3.7Å; K41-S43 PolarHBondContact O-N 2.84Å; K41-S43 VanDerWaalsContact O-N 3.09Å; K41-V56 CarbonylContact O-C 3.33Å; K41-V56 WeakPolarHBondContact O-CA 3.44Å; K41-E57 PolarHBondContact N-O 2.76Å; K41-E57 PolarHBondContact O-N 2.84Å
42	A	76.9	Confident	75.1	Confident	3 Å²	3	83.1 Å²	83.1	3%	0.025	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	114.9	177.9	0	0	0	0	0	110.5	H25 L26 L28 L54 V55 V56	H25-A42 WeakPolarHBondContact CA-O 3.2Å; L26-A42 PolarHBondContact O-N 3.2Å; L28-A42 HydrophobicContact CD1-CB 3.27Å; L28-A42 HydrophobicContact CD2-CB 3.94Å; L28-A42 HydrophobicContact CG-CB 4.17Å; A42-L54 HydrophobicContact CB-CD1 3.82Å; A42-L54 HydrophobicContact CB-CG 4.35Å; A42-V55 CarbonylContact C-O 3.5Å; A42-V55 VanDerWaalsContact CA-O 3.3Å; A42-V55 WeakPolarHBondContact CA-O 3.38Å; A42-V56 HydrophobicContact CB-CG1 4.22Å
43	S	75.1	Confident	74.7	Confident	43 Å²	43	83.1 Å²	83.1	30%	0.301	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-25.7	178.6	-166.2	0	0	0	0	112.4	H25 K41 V55	H25-S43 WeakPolarHBondContact CE1-CB 3.3Å; H25-S43 PolarHBondContact CE1-OG 2.83Å; H25-S43 VanDerWaalsContact CE1-OG 3.27Å; H25-S43 PolarHBondContact ND1-OG 2.76Å; K41-S43 PolarHBondContact O-N 2.84Å; K41-S43 VanDerWaalsContact O-N 3.09Å; S43-V55 PolarHBondContact N-O 2.68Å
44	D	76	Confident	74.4	Confident	81 Å²	81	76.6 Å²	76.6	43%	0.433	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	153	-174.1	-156.1	-103.4	0	0	0	110.5	V46 V55	D44-V46 WeakPolarHBondContact OD1-CG2 3.4Å; D44-V55 HydrophobicContact CB-CB 3.78Å; D44-V55 HydrophobicContact CB-CG1 4.38Å; D44-V55 HydrophobicContact CB-CG2 3.9Å; D44-V55 PolarHBondContact N-O 3.49Å; D44-V55 WeakPolarHBondContact O-CA 3.03Å; D44-V55 VanDerWaalsContact O-CB 3.25Å; D44-V55 WeakPolarHBondContact O-CB 3.49Å; D44-V55 PolarHBondContact O-N 3.45Å
45	L	64.7	Low	74.7	Confident	34 Å²	34	70.8 Å²	70.8	18%	0.178	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121	173	-174.2	89.3	0	0	0	108.6	L18 C22 E52 Y53 L54	L18-L45 HydrophobicContact CB-CD2 4.34Å; L18-L45 HydrophobicContact CD1-CD2 3.82Å; L18-L45 HydrophobicContact CD2-CD1 4.16Å; L18-L45 HydrophobicContact CD2-CD2 3.96Å; L18-L45 HydrophobicContact CG-CD2 4.25Å; C22-L45 PolarHBondContact SG-N 2.96Å; C22-L45 VanDerWaalsContact SG-N 3.37Å; L45-E52 HydrophobicContact CD1-CB 4.45Å; L45-Y53 CarbonylContact C-O 3.51Å; L45-Y53 WeakPolarHBondContact CA-O 3.22Å; L45-L54 HydrophobicContact CD1-CB 4.4Å; L45-L54 HydrophobicContact CD1-CD1 3.77Å
46	V	72.5	Confident	74.9	Confident	40 Å²	40	68.1 Å²	68.1	24%	0.242	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	107.9	-178.7	179.7	0	0	0	0	109.3	D44 R48 Y53 V55	D44-V46 WeakPolarHBondContact OD1-CG2 3.4Å; V46-R48 HydrophobicContact CG1-CG 4.13Å; V46-Y53 PolarHBondContact N-O 3.39Å; V46-Y53 WeakPolarHBondContact O-CA 3.39Å; V46-Y53 VanDerWaalsContact O-CB 3.27Å; V46-Y53 WeakPolarHBondContact O-CB 3.27Å; V46-Y53 WeakPolarHBondContact O-CD2 3.47Å; V46-Y53 PolarHBondContact O-N 3.37Å; V46-V55 HydrophobicContact CG2-CG2 3.97Å
47	S	66.6	Low	75	Confident	71 Å²	71	65.5 Å²	65.5	50%	0.497	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.4	171.3	61.4	0	0	0	0	110.6
48	R	66.1	Low	74.9	Confident	169 Å²	169	60 Å²	60	64%	0.638	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	116.7	175.4	-81.9	-172	178.8	-171.6	3.7	111	V46 N50 V51 Y53	V46-R48 HydrophobicContact CG1-CG 4.13Å; R48-N50 PolarHBondContact O-N 3.12Å; R48-V51 PolarHBondContact N-O 2.78Å; R48-V51 PolarHBondContact O-N 3.19Å; R48-V51 VanDerWaalsContact O-O 3.13Å; R48-Y53 HydrophobicContact CB-CD2 4.34Å; R48-Y53 HydrophobicContact CB-CE2 3.88Å
49	K	64.9	Low	74.6	Confident	204 Å²	204	63.9 Å²	63.9	89%	0.887	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	48.7	172.6	-64.5	-172.5	174.2	-172.3	0	113.6	V51	K49-V51 VanDerWaalsContact C-N 3.26Å; K49-V51 PolarHBondContact O-N 2.8Å
50	N	64	Low	74.4	Confident	133 Å²	133	60 Å²	60	71%	0.711	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	10.3	-176.2	-52.1	-81.3	0	0	0	115.7	R48	R48-N50 PolarHBondContact O-N 3.12Å
51	V	66.8	Low	74.3	Confident	40 Å²	40	65.5 Å²	65.5	24%	0.242	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.1	169.6	-177	0	0	0	0	108	R48 K49 Y53 D68	R48-V51 PolarHBondContact N-O 2.78Å; R48-V51 PolarHBondContact O-N 3.19Å; R48-V51 VanDerWaalsContact O-O 3.13Å; K49-V51 VanDerWaalsContact C-N 3.26Å; K49-V51 PolarHBondContact O-N 2.8Å; V51-Y53 HydrophobicContact CB-CE2 4.05Å; V51-Y53 HydrophobicContact CG1-CD2 4.32Å; V51-Y53 HydrophobicContact CG1-CE2 3.87Å; V51-Y53 WeakPolarHBondContact O-CD2 2.96Å; V51-D68 HydrophobicContact CG1-CB 4.22Å
52	E	70.2	Confident	74.2	Confident	31 Å²	31	65.5 Å²	65.5	15%	0.145	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	143	172.4	-71.9	163.1	83.8	0	0	110.1	I10 L45 L67	I10-E52 WeakPolarHBondContact CD1-OE2 3.38Å; I10-E52 WeakPolarHBondContact CG1-OE2 3.29Å; L45-E52 HydrophobicContact CD1-CB 4.45Å; E52-L67 HydrophobicContact CB-CD1 3.22Å; E52-L67 HydrophobicContact CB-CG 4.46Å; E52-L67 VanDerWaalsContact O-CB 3.27Å; E52-L67 WeakPolarHBondContact O-CB 3.41Å; E52-L67 WeakPolarHBondContact O-CD1 3.43Å; E52-L67 WeakPolarHBondContact O-CG 3.25Å; E52-L67 PolarHBondContact O-N 2.65Å
53	Y	76.6	Confident	74.5	Confident	43 Å²	43	70.3 Å²	70.3	17%	0.169	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	124.7	177	-66.7	-124.7	0	0	0	106	L45 V46 R48 V51 R66	L45-Y53 CarbonylContact C-O 3.51Å; L45-Y53 WeakPolarHBondContact CA-O 3.22Å; V46-Y53 PolarHBondContact N-O 3.39Å; V46-Y53 WeakPolarHBondContact O-CA 3.39Å; V46-Y53 VanDerWaalsContact O-CB 3.27Å; V46-Y53 WeakPolarHBondContact O-CB 3.27Å; V46-Y53 WeakPolarHBondContact O-CD2 3.47Å; V46-Y53 PolarHBondContact O-N 3.37Å; R48-Y53 HydrophobicContact CB-CD2 4.34Å; R48-Y53 HydrophobicContact CB-CE2 3.88Å; V51-Y53 HydrophobicContact CB-CE2 4.05Å; V51-Y53 HydrophobicContact CG1-CD2 4.32Å; V51-Y53 HydrophobicContact CG1-CE2 3.87Å; V51-Y53 WeakPolarHBondContact O-CD2 2.96Å; Y53-R66 HydrophobicContact CD1-CB 4.49Å; Y53-R66 HydrophobicContact CD1-CG 3.33Å; Y53-R66 HydrophobicContact CE1-CB 4.48Å; Y53-R66 HydrophobicContact CE1-CG 3.15Å; Y53-R66 HydrophobicContact CG-CG 4.12Å; Y53-R66 PolarHBondContact OH-NE 3.09Å; Y53-R66 VanDerWaalsContact OH-NE 3.09Å; Y53-R66 PolarHBondContact OH-NH2 2.91Å
54	L	70.8	Confident	74.7	Confident	2 Å²	2	74.8 Å²	74.8	1%	0.01	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.7	177.5	-173.2	71.6	0	0	0	108.8	L28 L30 A42 L45 V56 L65 F73	L28-L54 HydrophobicContact CB-CD2 4.42Å; L28-L54 HydrophobicContact CD2-CD1 4Å; L28-L54 HydrophobicContact CD2-CD2 3.37Å; L28-L54 HydrophobicContact CD2-CG 4.26Å; L28-L54 HydrophobicContact CG-CD2 4.43Å; L30-L54 HydrophobicContact CD2-CD2 3.68Å; L30-L54 HydrophobicContact CG-CD2 4.49Å; A42-L54 HydrophobicContact CB-CD1 3.82Å; A42-L54 HydrophobicContact CB-CG 4.35Å; L45-L54 HydrophobicContact CD1-CB 4.4Å; L45-L54 HydrophobicContact CD1-CD1 3.77Å; L54-V56 HydrophobicContact CD2-CG1 3.66Å; L54-V56 HydrophobicContact CG-CG1 3.66Å; L54-L65 PolarHBondContact N-O 3.09Å; L54-L65 PolarHBondContact O-N 3.47Å; L54-F73 HydrophobicContact CD2-CD2 4.19Å; L54-F73 HydrophobicContact CD2-CE2 4.42Å; L54-F73 HydrophobicContact CD2-CG 4.47Å
55	V	82.1	Confident	74.8	Confident	13 Å²	13	72.2 Å²	72.2	8%	0.079	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116	176.1	-171.7	0	0	0	0	107.9	A42 S43 D44 V46 T62 E64	A42-V55 CarbonylContact C-O 3.5Å; A42-V55 VanDerWaalsContact CA-O 3.3Å; A42-V55 WeakPolarHBondContact CA-O 3.38Å; S43-V55 PolarHBondContact N-O 2.68Å; D44-V55 HydrophobicContact CB-CB 3.78Å; D44-V55 HydrophobicContact CB-CG1 4.38Å; D44-V55 HydrophobicContact CB-CG2 3.9Å; D44-V55 PolarHBondContact N-O 3.49Å; D44-V55 WeakPolarHBondContact O-CA 3.03Å; D44-V55 VanDerWaalsContact O-CB 3.25Å; D44-V55 WeakPolarHBondContact O-CB 3.49Å; D44-V55 PolarHBondContact O-N 3.45Å; V46-V55 HydrophobicContact CG2-CG2 3.97Å; V55-T62 HydrophobicContact CG1-CG2 3.2Å; V55-E64 HydrophobicContact CG1-CG 4.18Å; V55-E64 HydrophobicContact CG2-CG 4.1Å
56	V	81.4	Confident	75.5	Confident	0 Å²	0	75 Å²	75	0%	0	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136	-177.4	-55.8	0	0	0	0	111.8	L30 A40 K41 A42 L54 T62 R63 L65	L30-V56 HydrophobicContact CD1-CB 4.36Å; L30-V56 HydrophobicContact CD1-CG1 3.99Å; L30-V56 HydrophobicContact CD1-CG2 3.92Å; L30-V56 HydrophobicContact CD2-CG1 4.12Å; L30-V56 HydrophobicContact CD2-CG2 4.5Å; A40-V56 HydrophobicContact CB-CB 3.49Å; A40-V56 VanDerWaalsContact CB-CB 3.49Å; A40-V56 HydrophobicContact CB-CG1 4.48Å; A40-V56 HydrophobicContact CB-CG2 3.35Å; K41-V56 CarbonylContact O-C 3.33Å; K41-V56 WeakPolarHBondContact O-CA 3.44Å; A42-V56 HydrophobicContact CB-CG1 4.22Å; L54-V56 HydrophobicContact CD2-CG1 3.66Å; L54-V56 HydrophobicContact CG-CG1 3.66Å; V56-T62 CarbonylContact O-C 3.47Å; V56-T62 WeakPolarHBondContact O-CA 3.49Å; V56-R63 HydrophobicContact CG2-CB 3.99Å; V56-R63 WeakPolarHBondContact CG2-O 3.41Å; V56-R63 PolarHBondContact N-O 2.99Å; V56-R63 PolarHBondContact O-N 2.78Å; V56-L65 HydrophobicContact CG2-CD1 3.76Å; V56-L65 HydrophobicContact CG2-CG 4.48Å
57	E	82.3	Confident	75.4	Confident	68 Å²	68	73.5 Å²	73.5	32%	0.318	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	116.5	176.5	-168.8	-179.2	99.6	0	0	110.5	H25 K41 E61	H25-E57 IonicContact NE2-OE1 3.8Å; K41-E57 PolarHBondContact N-O 2.76Å; K41-E57 PolarHBondContact O-N 2.84Å; E57-E61 CarbonylContact C-O 3.59Å; E57-E61 WeakPolarHBondContact CA-O 3.27Å
58	A	81.5	Confident	75.8	Confident	20 Å²	20	72.5 Å²	72.5	17%	0.165	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.8	173	0	0	0	0	0	109.1	A40 G60 E61	A40-A58 HydrophobicContact CB-CB 3.76Å; A58-G60 PolarHBondContact O-N 3.24Å; A58-G60 VanDerWaalsContact O-N 3.07Å; A58-E61 PolarHBondContact N-O 3.49Å; A58-E61 PolarHBondContact O-N 3Å
59	A	78.2	Confident	76.1	Confident	118 Å²	118	70.9 Å²	70.9	98%	0.975	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	33.2	175.4	0	0	0	0	0	115
60	G	78.6	Confident	76.6	Confident	58 Å²	58	61.2 Å²	61.2	60%	0.598	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-1.4	-177.9	0	0	0	0	0	115	A58	A58-G60 PolarHBondContact O-N 3.24Å; A58-G60 VanDerWaalsContact O-N 3.07Å
61	E	81.9	Confident	77.3	Confident	117 Å²	117	57.8 Å²	57.8	55%	0.547	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.6	168.8	-67	-168.6	104.2	0	0	110.6	E57 A58 R63	E57-E61 CarbonylContact C-O 3.59Å; E57-E61 WeakPolarHBondContact CA-O 3.27Å; A58-E61 PolarHBondContact N-O 3.49Å; A58-E61 PolarHBondContact O-N 3Å; E61-R63 IonicContact OE2-NH2 3.4Å; E61-R63 PolarHBondContact OE2-NH2 3.28Å
62	T	82	Confident	77.6	Confident	87 Å²	87	56.6 Å²	56.6	53%	0.534	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	120.5	168.6	-41.3	0	0	0	0	109.7	V55 V56	V55-T62 HydrophobicContact CG1-CG2 3.2Å; V56-T62 CarbonylContact O-C 3.47Å; V56-T62 WeakPolarHBondContact O-CA 3.49Å
63	R	81.4	Confident	77.8	Confident	104 Å²	104	55.5 Å²	55.5	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	116.9	177.3	-65.6	-171.4	177.5	-172.9	0.8	109.2	V56 E61 L65	V56-R63 HydrophobicContact CG2-CB 3.99Å; V56-R63 WeakPolarHBondContact CG2-O 3.41Å; V56-R63 PolarHBondContact N-O 2.99Å; V56-R63 PolarHBondContact O-N 2.78Å; E61-R63 IonicContact OE2-NH2 3.4Å; E61-R63 PolarHBondContact OE2-NH2 3.28Å; R63-L65 HydrophobicContact CB-CG 4.44Å; R63-L65 PolarHBondContact O-N 2.96Å
64	E	81.1	Confident	77.6	Confident	137 Å²	137	55.5 Å²	55.5	64%	0.64	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	110	172.1	-63.5	173.5	78.5	0	0	108.8	V55	V55-E64 HydrophobicContact CG1-CG 4.18Å; V55-E64 HydrophobicContact CG2-CG 4.1Å
65	L	77	Confident	77.5	Confident	28 Å²	28	55.7 Å²	55.7	15%	0.147	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	118.5	-178.5	-67.2	169.1	0	0	0	109.3	L30 L32 L54 V56 R63 I70	L30-L65 HydrophobicContact CB-CD1 4.13Å; L30-L65 HydrophobicContact CD1-CD1 4Å; L30-L65 HydrophobicContact CD2-CB 3.85Å; L30-L65 HydrophobicContact CD2-CD1 3.32Å; L30-L65 HydrophobicContact CD2-CG 4.18Å; L30-L65 HydrophobicContact CG-CD1 3.99Å; L32-L65 HydrophobicContact CD2-CD2 4.23Å; L54-L65 PolarHBondContact N-O 3.09Å; L54-L65 PolarHBondContact O-N 3.47Å; V56-L65 HydrophobicContact CG2-CD1 3.76Å; V56-L65 HydrophobicContact CG2-CG 4.48Å; R63-L65 HydrophobicContact CB-CG 4.44Å; R63-L65 PolarHBondContact O-N 2.96Å; L65-I70 HydrophobicContact CB-CD1 3.49Å; L65-I70 VanDerWaalsContact CB-CD1 3.49Å; L65-I70 HydrophobicContact CB-CG1 4.21Å
66	R	78.9	Confident	76.4	Confident	92 Å²	92	60.3 Å²	60.3	35%	0.347	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125.2	176.4	-73.5	-176.4	66.7	174.3	-5.4	109.2	Y53 D68 K69 I70	Y53-R66 HydrophobicContact CD1-CB 4.49Å; Y53-R66 HydrophobicContact CD1-CG 3.33Å; Y53-R66 HydrophobicContact CE1-CB 4.48Å; Y53-R66 HydrophobicContact CE1-CG 3.15Å; Y53-R66 HydrophobicContact CG-CG 4.12Å; Y53-R66 PolarHBondContact OH-NE 3.09Å; Y53-R66 VanDerWaalsContact OH-NE 3.09Å; Y53-R66 PolarHBondContact OH-NH2 2.91Å; R66-D68 PolarHBondContact O-N 3.24Å; R66-K69 PolarHBondContact O-N 3.12Å; R66-I70 WeakPolarHBondContact O-CD1 3.27Å; R66-I70 WeakPolarHBondContact O-CG1 3.28Å; R66-I70 PolarHBondContact O-N 2.82Å
67	L	72.1	Confident	75.4	Confident	8 Å²	8	65.9 Å²	65.9	4%	0.042	37%	0.365	C	S	.	.	G	3₁₀ helix	trans	-57.9	-36.4	179.3	-75.3	164.1	0	0	0	111.3	E52 K69 I70 F73 V83	E52-L67 HydrophobicContact CB-CD1 3.22Å; E52-L67 HydrophobicContact CB-CG 4.46Å; E52-L67 VanDerWaalsContact O-CB 3.27Å; E52-L67 WeakPolarHBondContact O-CB 3.41Å; E52-L67 WeakPolarHBondContact O-CD1 3.43Å; E52-L67 WeakPolarHBondContact O-CG 3.25Å; E52-L67 PolarHBondContact O-N 2.65Å; L67-K69 PolarHBondContact O-N 3.47Å; L67-K69 VanDerWaalsContact O-N 3.08Å; L67-I70 HydrophobicContact CD2-CD1 4.13Å; L67-I70 HydrophobicContact CG-CD1 4.49Å; L67-I70 PolarHBondContact O-N 3.44Å; L67-F73 HydrophobicContact CD1-CE1 4.39Å; L67-F73 HydrophobicContact CD2-CD1 3.25Å; L67-F73 HydrophobicContact CD2-CE1 3.03Å; L67-F73 HydrophobicContact CD2-CG 4.38Å; L67-F73 HydrophobicContact CD2-CZ 4Å; L67-F73 HydrophobicContact CG-CE1 4.35Å; L67-V83 VanDerWaalsContact C-CG1 3.47Å; L67-V83 HydrophobicContact CB-CB 4.11Å; L67-V83 HydrophobicContact CB-CG1 3.62Å; L67-V83 HydrophobicContact CB-CG2 3.54Å; L67-V83 HydrophobicContact CD2-CG2 3.28Å; L67-V83 HydrophobicContact CG-CG2 4.01Å; L67-V83 VanDerWaalsContact O-CB 3.27Å; L67-V83 WeakPolarHBondContact O-CB 3.37Å; L67-V83 WeakPolarHBondContact O-CG1 3.41Å; L67-V83 WeakPolarHBondContact O-CG2 3.36Å
68	D	73.6	Confident	74.3	Confident	51 Å²	51	64.2 Å²	64.2	27%	0.273	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-50.7	-30.8	171.4	-178.6	-108.5	0	0	0	115.6	K33 V51 R66	K33-D68 PolarHBondContact NZ-O 3.41Å; V51-D68 HydrophobicContact CG1-CB 4.22Å; R66-D68 PolarHBondContact O-N 3.24Å
69	K	72.5	Confident	73.7	Confident	135 Å²	135	64.7 Å²	64.7	59%	0.587	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-99.8	-10.4	179.5	-68.7	-170	175.9	179.6	0	113.7	R66 L67	R66-K69 PolarHBondContact O-N 3.12Å; L67-K69 PolarHBondContact O-N 3.47Å; L67-K69 VanDerWaalsContact O-N 3.08Å
70	I	75.6	Confident	73.5	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.6	179.6	-63	163.4	0	0	0	107	L30 E31 L65 R66 L67 S72 F73	L30-I70 HydrophobicContact CD2-CD1 3.83Å; E31-I70 VanDerWaalsContact O-CG2 3.3Å; E31-I70 WeakPolarHBondContact O-CG2 2.96Å; L65-I70 HydrophobicContact CB-CD1 3.49Å; L65-I70 VanDerWaalsContact CB-CD1 3.49Å; L65-I70 HydrophobicContact CB-CG1 4.21Å; R66-I70 WeakPolarHBondContact O-CD1 3.27Å; R66-I70 WeakPolarHBondContact O-CG1 3.28Å; R66-I70 PolarHBondContact O-N 2.82Å; L67-I70 HydrophobicContact CD2-CD1 4.13Å; L67-I70 HydrophobicContact CG-CD1 4.49Å; L67-I70 PolarHBondContact O-N 3.44Å; I70-S72 WeakPolarHBondContact CG2-O 3.03Å; I70-F73 HydrophobicContact CG2-CB 4.31Å
71	T	78.7	Confident	72.9	Confident	61 Å²	61	62.6 Å²	62.6	37%	0.374	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-47.8	176.2	-54.9	0	0	0	0	110	E31 L32 K33	E31-T71 PolarHBondContact O-N 3.09Å; L32-T71 PolarHBondContact O-OG1 2.94Å; K33-T71 VanDerWaalsContact CA-OG1 3.24Å; K33-T71 WeakPolarHBondContact CA-OG1 3.37Å; K33-T71 WeakPolarHBondContact CG-OG1 3.43Å; K33-T71 PolarHBondContact N-OG1 2.91Å
72	S	72.5	Confident	72.2	Confident	15 Å²	15	61.7 Å²	61.7	11%	0.105	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	153.4	176.9	53.3	0	0	0	0	108.2	E31 I70 V81	E31-S72 WeakPolarHBondContact CB-O 3.35Å; E31-S72 PolarHBondContact N-O 2.78Å; I70-S72 WeakPolarHBondContact CG2-O 3.03Å; S72-V81 WeakPolarHBondContact CA-O 3.21Å
73	F	76.1	Confident	71.4	Confident	8 Å²	8	59.7 Å²	59.7	4%	0.035	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.7	165.4	67.4	-79.7	0	0	0	108.8	L28 T29 L30 L54 L67 I70 V81 V83	L28-F73 HydrophobicContact CD2-CD2 3.71Å; L28-F73 HydrophobicContact CD2-CE2 3.86Å; T29-F73 CarbonylContact O-C 3.56Å; T29-F73 VanDerWaalsContact O-CA 3.23Å; T29-F73 WeakPolarHBondContact O-CA 3.38Å; T29-F73 WeakPolarHBondContact O-CB 3.35Å; L30-F73 HydrophobicContact CG-CB 4.35Å; L54-F73 HydrophobicContact CD2-CD2 4.19Å; L54-F73 HydrophobicContact CD2-CE2 4.42Å; L54-F73 HydrophobicContact CD2-CG 4.47Å; L67-F73 HydrophobicContact CD1-CE1 4.39Å; L67-F73 HydrophobicContact CD2-CD1 3.25Å; L67-F73 HydrophobicContact CD2-CE1 3.03Å; L67-F73 HydrophobicContact CD2-CG 4.38Å; L67-F73 HydrophobicContact CD2-CZ 4Å; L67-F73 HydrophobicContact CG-CE1 4.35Å; I70-F73 HydrophobicContact CG2-CB 4.31Å; F73-V81 HydrophobicContact CD1-CB 3.95Å; F73-V81 HydrophobicContact CD1-CG1 4.33Å; F73-V81 HydrophobicContact CD2-CB 4.43Å; F73-V81 HydrophobicContact CE1-CB 3.31Å; F73-V81 HydrophobicContact CE1-CG1 3.38Å; F73-V81 HydrophobicContact CE1-CG2 4.16Å; F73-V81 HydrophobicContact CE2-CB 3.92Å; F73-V81 HydrophobicContact CE2-CG2 3.95Å; F73-V81 HydrophobicContact CG-CB 4.48Å; F73-V81 HydrophobicContact CZ-CB 3.35Å; F73-V81 HydrophobicContact CZ-CG1 3.6Å; F73-V81 HydrophobicContact CZ-CG2 3.66Å; F73-V81 PolarHBondContact N-O 3.4Å; F73-V81 PolarHBondContact O-N 3.06Å; F73-V83 HydrophobicContact CD1-CG2 4.36Å; F73-V83 HydrophobicContact CE1-CG2 4.34Å
74	S	70.6	Confident	70	Confident	42 Å²	42	59 Å²	59	29%	0.294	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.8	179.2	-67.1	0	0	0	0	109.1	T29 T80	T29-S74 WeakPolarHBondContact CB-O 2.97Å; T29-S74 PolarHBondContact N-O 3.32Å; T29-S74 PolarHBondContact O-N 2.68Å; S74-T80 PolarHBondContact OG-OG1 2.98Å
75	H	69.7	Low	68.7	Low	7 Å²	7	59.8 Å²	59.8	3%	0.032	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.3	174.1	-163.6	48.4	0	0	0	110.5	L26 M27 L28 E77 I78 G79	L26-H75 WeakPolarHBondContact CB-CE1 3.3Å; L26-H75 WeakPolarHBondContact CB-NE2 3.42Å; L26-H75 WeakPolarHBondContact CD1-NE2 3.28Å; M27-H75 PolarHBondContact O-CE1 2.67Å; M27-H75 PolarHBondContact O-ND1 2.69Å; L28-H75 VanDerWaalsContact CD1-ND1 3.35Å; L28-H75 WeakPolarHBondContact CD1-ND1 3.16Å; L28-H75 HydrophobicContact CD2-CB 4.47Å; L28-H75 HydrophobicContact CG-CB 4.06Å; L28-H75 VanDerWaalsContact CG-ND1 3.32Å; L28-H75 WeakPolarHBondContact CG-ND1 3.19Å; H75-E77 VanDerWaalsContact C-N 3.27Å; H75-E77 VanDerWaalsContact CD2-CB 3.43Å; H75-E77 WeakPolarHBondContact CD2-CB 3.35Å; H75-E77 PolarHBondContact CD2-N 3.35Å; H75-E77 WeakPolarHBondContact NE2-CB 3.3Å; H75-E77 PolarHBondContact O-N 3.22Å; H75-I78 HydrophobicContact CB-CB 3.85Å; H75-I78 HydrophobicContact CB-CG1 4.19Å; H75-I78 PolarHBondContact CD2-N 3.2Å; H75-G79 PolarHBondContact N-O 3.33Å; H75-G79 CarbonylContact O-C 3.56Å; H75-G79 WeakPolarHBondContact O-CA 2.86Å; H75-G79 PolarHBondContact O-N 2.8Å
76	P	59.7	Low	66.7	Low	110 Å²	110	67.3 Å²	67.3	71%	0.714	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.3	172.9	20.5	-34.7	0	0	0	114.4
77	E	59.3	Low	66.1	Low	116 Å²	116	66.1 Å²	66.1	54%	0.542	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-30.9	-178	-106.5	156.3	91	0	0	113.7	L26 H75	L26-E77 HydrophobicContact CD1-CB 3.92Å; L26-E77 HydrophobicContact CD1-CG 4.34Å; L26-E77 VanDerWaalsContact CD1-OE1 3.23Å; L26-E77 WeakPolarHBondContact CD1-OE1 3.4Å; L26-E77 WeakPolarHBondContact CD2-OE1 3.21Å; L26-E77 VanDerWaalsContact CD2-OE2 3.28Å; L26-E77 WeakPolarHBondContact CD2-OE2 3.23Å; H75-E77 VanDerWaalsContact C-N 3.27Å; H75-E77 VanDerWaalsContact CD2-CB 3.43Å; H75-E77 WeakPolarHBondContact CD2-CB 3.35Å; H75-E77 PolarHBondContact CD2-N 3.35Å; H75-E77 WeakPolarHBondContact NE2-CB 3.3Å; H75-E77 PolarHBondContact O-N 3.22Å
78	I	60.1	Low	65.8	Low	33 Å²	33	69.2 Å²	69.2	17%	0.169	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-30.4	-178.4	-54.3	-46.4	0	0	0	110.8	N17 A21 H75 V81	N17-I78 HydrophobicContact CB-CD1 3.54Å; A21-I78 HydrophobicContact CB-CD1 4.08Å; A21-I78 HydrophobicContact CB-CG1 4.4Å; H75-I78 HydrophobicContact CB-CB 3.85Å; H75-I78 HydrophobicContact CB-CG1 4.19Å; H75-I78 PolarHBondContact CD2-N 3.2Å; I78-V81 HydrophobicContact CG2-CG2 4.09Å
79	G	68.7	Low	65.4	Low	31 Å²	31	70.2 Å²	70.2	32%	0.32	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	99.4	-161.7	-171.1	0	0	0	0	0	113.1	H75	H75-G79 PolarHBondContact N-O 3.33Å; H75-G79 CarbonylContact O-C 3.56Å; H75-G79 WeakPolarHBondContact O-CA 2.86Å; H75-G79 PolarHBondContact O-N 2.8Å
80	T	73.1	Confident	65	Low	92 Å²	92	66.4 Å²	66.4	56%	0.564	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	116.1	177.8	-63.2	0	0	0	0	109.9	S74	S74-T80 PolarHBondContact OG-OG1 2.98Å
81	V	65.5	Low	64.3	Low	39 Å²	39	70.4 Å²	70.4	24%	0.236	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.7	176.1	-178	0	0	0	0	108.3	S72 F73 I78	S72-V81 WeakPolarHBondContact CA-O 3.21Å; F73-V81 HydrophobicContact CD1-CB 3.95Å; F73-V81 HydrophobicContact CD1-CG1 4.33Å; F73-V81 HydrophobicContact CD2-CB 4.43Å; F73-V81 HydrophobicContact CE1-CB 3.31Å; F73-V81 HydrophobicContact CE1-CG1 3.38Å; F73-V81 HydrophobicContact CE1-CG2 4.16Å; F73-V81 HydrophobicContact CE2-CB 3.92Å; F73-V81 HydrophobicContact CE2-CG2 3.95Å; F73-V81 HydrophobicContact CG-CB 4.48Å; F73-V81 HydrophobicContact CZ-CB 3.35Å; F73-V81 HydrophobicContact CZ-CG1 3.6Å; F73-V81 HydrophobicContact CZ-CG2 3.66Å; F73-V81 PolarHBondContact N-O 3.4Å; F73-V81 PolarHBondContact O-N 3.06Å; I78-V81 HydrophobicContact CG2-CG2 4.09Å
82	V	68	Low	63.3	Low	98 Å²	98	71.1 Å²	71.1	59%	0.594	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	123.4	176.4	-107	0	0	0	0	108.7	S84	V82-S84 PolarHBondContact O-N 3.22Å
83	V	64.6	Low	62.7	Low	46 Å²	46	75.1 Å²	75.1	28%	0.279	46%	0.459	S	S	.	.			trans	-94.1	87.2	179.9	-162.2	0	0	0	0	108.4	L67 F73	L67-V83 VanDerWaalsContact C-CG1 3.47Å; L67-V83 HydrophobicContact CB-CB 4.11Å; L67-V83 HydrophobicContact CB-CG1 3.62Å; L67-V83 HydrophobicContact CB-CG2 3.54Å; L67-V83 HydrophobicContact CD2-CG2 3.28Å; L67-V83 HydrophobicContact CG-CG2 4.01Å; L67-V83 VanDerWaalsContact O-CB 3.27Å; L67-V83 WeakPolarHBondContact O-CB 3.37Å; L67-V83 WeakPolarHBondContact O-CG1 3.41Å; L67-V83 WeakPolarHBondContact O-CG2 3.36Å; F73-V83 HydrophobicContact CD1-CG2 4.36Å; F73-V83 HydrophobicContact CE1-CG2 4.34Å
84	S	52.7	Low	61.6	Low	90 Å²	90	80.2 Å²	80.2	63%	0.629	49%	0.492	S	S	*	.			trans	-94.3	123.5	173	-60.8	0	0	0	0	108.8	V82 S86	V82-S84 PolarHBondContact O-N 3.22Å; S84-S86 PolarHBondContact O-N 3.07Å
85	E	53.8	Low	60.9	Low	152 Å²	152	83.4 Å²	83.4	71%	0.71	51%	0.508	S	S	*	.			trans	-57.9	118.1	155.2	-64.3	173.3	90	0	0	106.6
86	S	35.6	Very low	60.1	Low	187 Å²	187	90.4 Å²	90.4	100%	1.308	55%	0.551	S	S	*	*			trans	-133.5	0	164.2	-72.8	0	0	0	0	109.3	S84	S84-S86 PolarHBondContact O-N 3.07Å

Retrieved 86 of 86 residues in 483 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).