A0A087WYH2_HUMAN Loading...

Protocadherin gamma subfamily A, 3

AlphaFold DB , UniProt , Accession A0A087WYH2, Species HUMAN (Homo sapiens, Human), Gene PCDHGA3, Length 107 aa.

						>A0A087WYH2_HUMAN|A0A087WYH2|PCDHGA3
MTNCLSFRNGRGLALLCALLGTLCETGSGQIRYSVSEELDKGSFVGNIANDLGLEPRELAERGVRIVSRGRTQLFSLNPQSGSLVTAERIDREELCAQIPLCLRNWK
					

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	36.9	Very low	52.6	Low	187 Å²	187	154.1 Å²	154.1	92%	0.921	80%	0.795	S	S	*	*				0	89.4	0	-76.6	165.5	82.3	0	0	106.6	N3 R65	M1-N3 PolarHBondContact O-N 3.05Å; M1-R65 VanDerWaalsContact CE-NH2 3.28Å; M1-R65 PolarHBondContact SD-NH2 3.21Å
2	T	42.5	Very low	53.5	Low	141 Å²	141	145.5 Å²	145.5	87%	0.865	77%	0.773	S	S	*	*			trans	-83.8	94.3	-174.6	-14.3	0	0	0	0	107.6
3	N	48.8	Very low	54.6	Low	140 Å²	140	140.8 Å²	140.8	75%	0.749	75%	0.747	S	S	*	*			trans	-127.7	79	170.6	-64.6	-26.8	0	0	0	108.1	M1	M1-N3 PolarHBondContact O-N 3.05Å
4	C	47.6	Very low	55.9	Low	109 Å²	109	135.2 Å²	135.2	74%	0.736	73%	0.731	S	S	*	*			trans	-129.3	85.7	161.3	-94	0	0	0	0	108.6
5	L	51.1	Low	57.1	Low	158 Å²	158	134.3 Å²	134.3	83%	0.827	72%	0.724	S	S	*	*			trans	46.9	98.7	145.9	-68.6	154.2	0	0	0	117.1	F7	L5-F7 PolarHBondContact O-N 2.86Å
6	S	58.8	Low	58.4	Low	122 Å²	122	131.8 Å²	131.8	85%	0.853	71%	0.71	S	S	*	*			trans	-69	115.3	152.6	176.5	0	0	0	0	108.8
7	F	48.2	Very low	59.3	Low	182 Å²	182	128.4 Å²	128.4	80%	0.798	70%	0.698	S	S	*	*			trans	-148.7	142.2	164	-126.8	-91.8	0	0	0	112.9	L5	L5-F7 PolarHBondContact O-N 2.86Å
8	R	62.3	Low	60.1	Low	232 Å²	232	124.5 Å²	124.5	88%	0.875	69%	0.686	S	S	*	*			trans	-104.3	122.3	-157.2	-161.6	169.5	69.8	-171.5	4.1	111.3
9	N	58.1	Low	60.9	Low	153 Å²	153	124 Å²	124	82%	0.818	68%	0.681	S	S	*	*			trans	74	134.9	155.3	-141.9	15	0	0	0	122.7
10	G	59.9	Low	61.6	Low	43 Å²	43	122.9 Å²	122.9	44%	0.443	67%	0.674	S	S	.	*			trans	123.9	72	157.6	0	0	0	0	0	116.7	G12 L13	G10-G12 VanDerWaalsContact C-N 3.28Å; G10-G12 PolarHBondContact O-N 2.84Å; G10-L13 PolarHBondContact O-N 3.12Å; G10-L13 VanDerWaalsContact O-N 3.11Å
11	R	64.1	Low	62.2	Low	228 Å²	228	119.2 Å²	119.2	86%	0.86	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	28.4	-54.5	169.6	-58	-175.9	84.1	178.9	4.4	120.1	A14 L15	R11-A14 WeakPolarHBondContact O-CB 3.3Å; R11-A14 PolarHBondContact O-N 2.88Å; R11-L15 PolarHBondContact O-N 3.33Å
12	G	64.3	Low	63.6	Low	51 Å²	51	115.1 Å²	115.1	53%	0.526	65%	0.65	S	S	.	*	H	α-helix	trans	-66.4	-36.3	173.1	0	0	0	0	0	113	G10 A14 L15 L16	G10-G12 VanDerWaalsContact C-N 3.28Å; G10-G12 PolarHBondContact O-N 2.84Å; G12-A14 VanDerWaalsContact C-N 3.29Å; G12-A14 PolarHBondContact O-N 2.88Å; G12-L15 PolarHBondContact O-N 3.29Å; G12-L16 PolarHBondContact O-N 3.22Å
13	L	67.5	Low	64.8	Low	84 Å²	84	115.3 Å²	115.3	44%	0.44	65%	0.645	S	S	.	*	H	α-helix	trans	-65.1	-34.6	172.3	-113.5	144	0	0	0	111.6	G10 L16 C17	G10-L13 PolarHBondContact O-N 3.12Å; G10-L13 VanDerWaalsContact O-N 3.11Å; L13-L16 PolarHBondContact O-N 3.37Å; L13-C17 WeakPolarHBondContact O-CB 3.16Å; L13-C17 PolarHBondContact O-N 3.5Å; L13-C17 PolarHBondContact O-SG 3.49Å
14	A	72.2	Confident	65.5	Low	63 Å²	63	112.6 Å²	112.6	52%	0.521	64%	0.636	S	S	.	*	H	α-helix	trans	-67.4	-40.5	176.7	0	0	0	0	0	112.1	R11 G12 C17 A18	R11-A14 WeakPolarHBondContact O-CB 3.3Å; R11-A14 PolarHBondContact O-N 2.88Å; G12-A14 VanDerWaalsContact C-N 3.29Å; G12-A14 PolarHBondContact O-N 2.88Å; A14-C17 PolarHBondContact O-N 2.93Å; A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.82Å
15	L	74.1	Confident	66.1	Low	121 Å²	121	115.9 Å²	115.9	63%	0.634	64%	0.641	S	S	*	*	H	α-helix	trans	-65.9	-41.7	173.9	-73.7	169.6	0	0	0	111.8	R11 G12 A18 L19	R11-L15 PolarHBondContact O-N 3.33Å; G12-L15 PolarHBondContact O-N 3.29Å; L15-A18 PolarHBondContact O-N 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.8Å
16	L	77.9	Confident	66.8	Low	95 Å²	95	114.9 Å²	114.9	50%	0.497	64%	0.641	S	S	.	*	H	α-helix	trans	-62.4	-44.4	175.5	-176.3	67.7	0	0	0	111.5	G12 L13 A18 L19 L20	G12-L16 PolarHBondContact O-N 3.22Å; L13-L16 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-L19 PolarHBondContact O-N 2.83Å; L16-L20 HydrophobicContact CD1-CD1 4.31Å; L16-L20 HydrophobicContact CG-CD1 3.9Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 2.95Å
17	C	74.1	Confident	67.4	Low	73 Å²	73	112.8 Å²	112.8	49%	0.493	64%	0.639	S	S	.	*	H	α-helix	trans	-64.9	-36.5	175	-71	0	0	0	0	112.4	L13 A14 G21	L13-C17 WeakPolarHBondContact O-CB 3.16Å; L13-C17 PolarHBondContact O-N 3.5Å; L13-C17 PolarHBondContact O-SG 3.49Å; A14-C17 PolarHBondContact O-N 2.93Å; C17-G21 WeakPolarHBondContact O-CA 3.25Å; C17-G21 PolarHBondContact O-N 3.43Å
18	A	74.3	Confident	68.8	Low	59 Å²	59	110 Å²	110	49%	0.488	64%	0.642	S	S	.	*	H	α-helix	trans	-64.7	-45.1	175.2	0	0	0	0	0	111.4	A14 L15 L16 G21 T22	A14-A18 WeakPolarHBondContact O-CB 3.4Å; A14-A18 PolarHBondContact O-N 2.82Å; L15-A18 PolarHBondContact O-N 3.3Å; L16-A18 VanDerWaalsContact C-N 3.34Å; A18-G21 PolarHBondContact O-N 3Å; A18-T22 WeakPolarHBondContact O-CG2 3.32Å; A18-T22 PolarHBondContact O-N 3.31Å; A18-T22 PolarHBondContact O-OG1 3.22Å
19	L	74.4	Confident	69.8	Low	115 Å²	115	102.9 Å²	102.9	60%	0.602	64%	0.641	S	S	*	*	H	α-helix	trans	-62.6	-45.3	175.1	-77.9	159.3	0	0	0	112.3	L15 L16 G21 T22 L23	L15-L19 WeakPolarHBondContact O-CG 3.49Å; L15-L19 PolarHBondContact O-N 2.8Å; L16-L19 PolarHBondContact O-N 2.83Å; L19-G21 VanDerWaalsContact C-N 3.33Å; L19-T22 PolarHBondContact O-N 3.43Å; L19-T22 PolarHBondContact O-OG1 2.59Å; L19-L23 PolarHBondContact O-N 3.41Å
20	L	74.6	Confident	71.1	Confident	101 Å²	101	102.1 Å²	102.1	53%	0.529	63%	0.632	S	S	.	*	H	α-helix	trans	-65.5	-37.6	176	-73.3	166.2	0	0	0	111.7	L16 T22 L23 C24	L16-L20 HydrophobicContact CD1-CD1 4.31Å; L16-L20 HydrophobicContact CG-CD1 3.9Å; L16-L20 WeakPolarHBondContact O-CB 3.29Å; L16-L20 VanDerWaalsContact O-CG 3.28Å; L16-L20 WeakPolarHBondContact O-CG 3.48Å; L16-L20 PolarHBondContact O-N 2.95Å; L20-T22 VanDerWaalsContact C-N 3.34Å; L20-T22 PolarHBondContact O-N 3.44Å; L20-L23 PolarHBondContact O-N 3.12Å; L20-L23 VanDerWaalsContact O-N 3.16Å; L20-C24 PolarHBondContact O-N 2.97Å
21	G	73.8	Confident	72.4	Confident	46 Å²	46	103.7 Å²	103.7	47%	0.474	63%	0.629	S	S	.	*	H	α-helix	trans	-62	-40.2	176.2	0	0	0	0	0	112.3	C17 A18 L19 L23 C24	C17-G21 WeakPolarHBondContact O-CA 3.25Å; C17-G21 PolarHBondContact O-N 3.43Å; A18-G21 PolarHBondContact O-N 3Å; L19-G21 VanDerWaalsContact C-N 3.33Å; G21-L23 VanDerWaalsContact C-N 3.26Å; G21-L23 PolarHBondContact O-N 3.36Å; G21-C24 PolarHBondContact O-N 3.41Å
22	T	67.7	Low	73.6	Confident	101 Å²	101	102.1 Å²	102.1	62%	0.62	62%	0.624	S	S	*	*	H	α-helix	trans	-68.9	-21.8	175.2	53.1	0	0	0	0	113.9	A18 L19 L20	A18-T22 WeakPolarHBondContact O-CG2 3.32Å; A18-T22 PolarHBondContact O-N 3.31Å; A18-T22 PolarHBondContact O-OG1 3.22Å; L19-T22 PolarHBondContact O-N 3.43Å; L19-T22 PolarHBondContact O-OG1 2.59Å; L20-T22 VanDerWaalsContact C-N 3.34Å; L20-T22 PolarHBondContact O-N 3.44Å
23	L	67.1	Low	74.7	Confident	145 Å²	145	103.1 Å²	103.1	76%	0.759	61%	0.612	S	S	*	*	H	α-helix	trans	-79.9	-20.3	174.2	-108.6	76.2	0	0	0	112.8	L19 L20 G21 E25	L19-L23 PolarHBondContact O-N 3.41Å; L20-L23 PolarHBondContact O-N 3.12Å; L20-L23 VanDerWaalsContact O-N 3.16Å; G21-L23 VanDerWaalsContact C-N 3.26Å; G21-L23 PolarHBondContact O-N 3.36Å; L23-E25 PolarHBondContact O-N 2.9Å; L23-E25 VanDerWaalsContact O-N 3.15Å
24	C	64.1	Low	75.5	Confident	83 Å²	83	105.2 Å²	105.2	56%	0.561	63%	0.634	S	S	*	*			trans	-87.2	72.3	178.5	-88.5	0	0	0	0	111.3	L20 G21 T26	L20-C24 PolarHBondContact O-N 2.97Å; G21-C24 PolarHBondContact O-N 3.41Å; C24-T26 PolarHBondContact O-N 3.21Å
25	E	60.8	Low	76.1	Confident	179 Å²	179	104.7 Å²	104.7	84%	0.836	62%	0.624	S	S	*	*			trans	-69	111.4	166.1	-75	-87	103.9	0	0	109.1	L23	L23-E25 PolarHBondContact O-N 2.9Å; L23-E25 VanDerWaalsContact O-N 3.15Å
26	T	65.8	Low	76.3	Confident	137 Å²	137	103.1 Å²	103.1	84%	0.84	62%	0.623	S	S	*	*			trans	-92.9	99.6	172.2	-55.8	0	0	0	0	108.7	C24	C24-T26 PolarHBondContact O-N 3.21Å
27	G	69.8	Low	76	Confident	78 Å²	78	104.4 Å²	104.4	80%	0.804	63%	0.627	S	S	*	*			trans	-74.9	133.1	172	0	0	0	0	0	111.5
28	S	78	Confident	75.9	Confident	123 Å²	123	105.2 Å²	105.2	86%	0.86	62%	0.623	S	S	*	*			trans	-117.2	123.9	167	69.3	0	0	0	0	110
29	G	82.9	Confident	76.1	Confident	82 Å²	82	104.3 Å²	104.3	85%	0.845	61%	0.61	S	S	*	*			trans	-122.5	158.2	173.2	0	0	0	0	0	111.1
30	Q	86.1	Confident	76.5	Confident	138 Å²	138	103.9 Å²	103.9	65%	0.645	61%	0.608	S	S	*	*			trans	-120.7	121.6	171.5	-175.6	173.2	38.2	0	0	109.5	R32	Q30-R32 HydrophobicContact CG-CG 4.43Å; Q30-R32 VanDerWaalsContact OE1-CZ 3.3Å
31	I	87.4	Confident	77.1	Confident	75 Å²	75	106.8 Å²	106.8	39%	0.385	62%	0.617	S	S	.	*			trans	-107.2	138.1	173.5	-58.5	162.5	0	0	0	107.6	Y33 D51 L52	I31-Y33 HydrophobicContact CG2-CD2 4.37Å; I31-Y33 HydrophobicContact CG2-CE1 4.05Å; I31-Y33 HydrophobicContact CG2-CE2 3.75Å; I31-D51 HydrophobicContact CD1-CB 3.7Å; I31-D51 HydrophobicContact CG1-CB 4.36Å; I31-L52 HydrophobicContact CD1-CD2 4.17Å
32	R	89.6	Confident	77.7	Confident	195 Å²	195	107 Å²	107	74%	0.736	62%	0.618	S	S	*	*			trans	-123.2	128	179.7	-66.2	-174.7	174.9	101.4	-2.1	109.6	Q30	Q30-R32 HydrophobicContact CG-CG 4.43Å; Q30-R32 VanDerWaalsContact OE1-CZ 3.3Å
33	Y	86.9	Confident	78.8	Confident	73 Å²	73	103.6 Å²	103.6	29%	0.286	60%	0.599	S	S	.	*			trans	-116.6	145.4	171	-59.6	-66.2	0	0	0	110	I31 V45 I48 D51 L84	I31-Y33 HydrophobicContact CG2-CD2 4.37Å; I31-Y33 HydrophobicContact CG2-CE1 4.05Å; I31-Y33 HydrophobicContact CG2-CE2 3.75Å; Y33-V45 HydrophobicContact CD2-CG1 4.35Å; Y33-V45 HydrophobicContact CG-CG1 4.19Å; Y33-I48 HydrophobicContact CE2-CG1 4.14Å; Y33-I48 WeakPolarHBondContact OH-CG1 3.4Å; Y33-D51 WeakPolarHBondContact CE1-OD2 3.32Å; Y33-D51 VanDerWaalsContact CZ-OD2 3.3Å; Y33-D51 PolarHBondContact OH-OD2 3.07Å; Y33-L84 HydrophobicContact CD2-CD2 3.76Å; Y33-L84 HydrophobicContact CE2-CD2 3.87Å
34	S	83.8	Confident	80	Confident	128 Å²	128	102.9 Å²	102.9	90%	0.895	59%	0.59	S	S	*	*			trans	-103.6	132.1	169.6	-62.7	0	0	0	0	108.3
35	V	84	Confident	81.3	Confident	51 Å²	51	100 Å²	100	31%	0.309	57%	0.569	S	S	.	*			trans	-133.3	131.6	-170.5	-173.2	0	0	0	0	107.7	L39 V45 I90	V35-L39 HydrophobicContact CB-CD1 4.44Å; V35-L39 HydrophobicContact CG1-CD1 3.18Å; V35-V45 HydrophobicContact CG1-CG2 4.43Å; V35-V45 HydrophobicContact CG2-CG1 3.52Å; V35-V45 HydrophobicContact CG2-CG2 4.42Å; V35-I90 HydrophobicContact CG1-CD1 3.72Å
36	S	79.6	Confident	82.7	Confident	89 Å²	89	91.7 Å²	91.7	62%	0.622	53%	0.532	S	S	*	.			trans	-69.9	151.7	177	-58.4	0	0	0	0	111.1	L39	S36-L39 WeakPolarHBondContact O-CD1 3.2Å
37	E	71.2	Confident	84	Confident	122 Å²	122	87.3 Å²	87.3	57%	0.57	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	156	165	63.9	-163.7	154.1	0	0	110.3	L39	E37-L39 PolarHBondContact O-N 3.16Å
38	E	72	Confident	85	Confident	90 Å²	90	84.9 Å²	84.9	42%	0.421	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	23.3	179	-57.7	-60	134.1	0	0	116.8	D40 R89 I90	E38-D40 PolarHBondContact O-N 2.01Å; E38-R89 IonicContact OE2-CZ 3.91Å; E38-R89 IonicContact OE2-NH2 2.84Å; E38-R89 PolarHBondContact OE2-NH2 2.9Å; E38-I90 PolarHBondContact N-O 3.28Å
39	L	78.4	Confident	85.6	Confident	39 Å²	39	79 Å²	79	20%	0.204	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-68.2	125.6	170.2	-88.1	149.6	0	0	0	111.2	V35 S36 E37 T86 R89	V35-L39 HydrophobicContact CB-CD1 4.44Å; V35-L39 HydrophobicContact CG1-CD1 3.18Å; S36-L39 WeakPolarHBondContact O-CD1 3.2Å; E37-L39 PolarHBondContact O-N 3.16Å; L39-T86 HydrophobicContact CB-CG2 4Å; L39-R89 WeakPolarHBondContact O-CA 3.32Å
40	D	83.8	Confident	85.9	Confident	106 Å²	106	80.6 Å²	80.6	57%	0.567	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-58.6	159.6	172.5	-76.8	-58.3	0	0	0	111.6	E38 G42 S43 T86	E38-D40 PolarHBondContact O-N 2.01Å; D40-G42 PolarHBondContact O-N 3.16Å; D40-S43 WeakPolarHBondContact O-CB 3.27Å; D40-S43 PolarHBondContact O-N 3.37Å; D40-S43 PolarHBondContact O-OG 3.12Å; D40-T86 PolarHBondContact O-OG1 3.41Å
41	K	86.5	Confident	86.1	Confident	163 Å²	163	78.1 Å²	78.1	71%	0.709	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	131.7	173.9	177.8	172.5	-178.4	174.8	0	110.3	A87	K41-A87 VanDerWaalsContact CD-O 3.25Å; K41-A87 WeakPolarHBondContact CD-O 3.33Å; K41-A87 WeakPolarHBondContact CE-O 3.47Å; K41-A87 VanDerWaalsContact CG-O 3.32Å; K41-A87 WeakPolarHBondContact CG-O 3.34Å
42	G	87.3	Confident	86.1	Confident	49 Å²	49	78.7 Å²	78.7	51%	0.505	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	3.4	178.6	0	0	0	0	0	114.2	D40 T86	D40-G42 PolarHBondContact O-N 3.16Å; G42-T86 WeakPolarHBondContact CA-O 3.48Å; G42-T86 PolarHBondContact N-O 3Å; G42-T86 PolarHBondContact N-OG1 3.45Å; G42-T86 VanDerWaalsContact N-OG1 3.12Å
43	S	90.3	Very high	86	Confident	31 Å²	31	72.5 Å²	72.5	22%	0.217	41%	0.411	C	S	.	.			trans	-68.2	145.8	175.1	-59.5	0	0	0	0	111.9	D40 V85 T86	D40-S43 WeakPolarHBondContact O-CB 3.27Å; D40-S43 PolarHBondContact O-N 3.37Å; D40-S43 PolarHBondContact O-OG 3.12Å; S43-V85 CarbonylContact O-C 3.57Å; S43-V85 VanDerWaalsContact O-CA 3.22Å; S43-V85 WeakPolarHBondContact O-CA 3.11Å; S43-T86 PolarHBondContact N-OG1 3.31Å; S43-T86 PolarHBondContact O-N 2.65Å; S43-T86 PolarHBondContact O-OG1 3.36Å
44	F	91.1	Very high	86.1	Confident	129 Å²	129	70.5 Å²	70.5	57%	0.566	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	134.7	178.8	174	-95.1	0	0	0	111.5
45	V	91.2	Very high	86.4	Confident	22 Å²	22	70.6 Å²	70.6	13%	0.133	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-48.1	176.2	174.1	0	0	0	0	111.5	Y33 V35 F75 L84 T86	Y33-V45 HydrophobicContact CD2-CG1 4.35Å; Y33-V45 HydrophobicContact CG-CG1 4.19Å; V35-V45 HydrophobicContact CG1-CG2 4.43Å; V35-V45 HydrophobicContact CG2-CG1 3.52Å; V35-V45 HydrophobicContact CG2-CG2 4.42Å; V45-F75 HydrophobicContact CG2-CD1 4.09Å; V45-F75 HydrophobicContact CG2-CE1 4.03Å; V45-L84 HydrophobicContact CB-CB 4.17Å; V45-L84 HydrophobicContact CB-CD2 4.17Å; V45-L84 HydrophobicContact CB-CG 4.09Å; V45-L84 WeakPolarHBondContact CB-O 3.35Å; V45-L84 HydrophobicContact CG1-CD2 3.76Å; V45-L84 HydrophobicContact CG1-CG 4.25Å; V45-L84 PolarHBondContact N-O 2.92Å; V45-T86 HydrophobicContact CG2-CG2 3.82Å
46	G	91.7	Very high	86.6	Confident	5 Å²	5	70.3 Å²	70.3	5%	0.052	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.3	164.3	-174.1	0	0	0	0	0	113.1	S83 L84	G46-S83 CarbonylContact O-C 3.55Å; G46-S83 WeakPolarHBondContact O-CA 3.47Å; G46-S83 WeakPolarHBondContact O-CB 3.16Å; G46-L84 PolarHBondContact N-O 3.21Å; G46-L84 PolarHBondContact O-N 3.03Å
47	N	91.8	Very high	87	Confident	45 Å²	45	74.6 Å²	74.6	24%	0.241	39%	0.393	C	S	.	.			trans	-101	91.4	-178.6	-169.5	-26.7	0	0	0	111.4	A49 N50 D51	N47-A49 VanDerWaalsContact C-N 3.3Å; N47-A49 PolarHBondContact O-N 2.96Å; N47-A49 WeakPolarHBondContact OD1-CB 3.44Å; N47-A49 PolarHBondContact OD1-N 3.34Å; N47-A49 VanDerWaalsContact OD1-N 3.14Å; N47-N50 HydrophobicContact CB-CB 4.31Å; N47-N50 PolarHBondContact ND2-ND2 3.4Å; N47-N50 VanDerWaalsContact ND2-ND2 3.17Å; N47-N50 PolarHBondContact O-N 3.42Å; N47-N50 PolarHBondContact OD1-N 3.43Å; N47-D51 PolarHBondContact O-N 2.84Å
48	I	91.1	Very high	87.9	Confident	27 Å²	27	71.3 Å²	71.3	14%	0.138	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-34.2	179	-69.1	175.9	0	0	0	111.8	Y33 N50 D51 L52 L77 L84	Y33-I48 HydrophobicContact CE2-CG1 4.14Å; Y33-I48 WeakPolarHBondContact OH-CG1 3.4Å; I48-N50 PolarHBondContact O-N 3.2Å; I48-D51 PolarHBondContact O-N 3.41Å; I48-L52 HydrophobicContact CG2-CD1 3.54Å; I48-L52 HydrophobicContact CG2-CG 3.98Å; I48-L52 WeakPolarHBondContact O-CB 3.22Å; I48-L52 VanDerWaalsContact O-CG 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.37Å; I48-L52 PolarHBondContact O-N 3.31Å; I48-L77 HydrophobicContact CB-CD1 4.42Å; I48-L77 HydrophobicContact CD1-CD1 4.21Å; I48-L84 HydrophobicContact CD1-CB 3.66Å; I48-L84 HydrophobicContact CD1-CD1 3.72Å; I48-L84 HydrophobicContact CD1-CD2 4.19Å; I48-L84 HydrophobicContact CD1-CG 4.06Å; I48-L84 HydrophobicContact CG1-CB 4.01Å
49	A	90.6	Very high	88.6	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-57.2	-50.6	178.7	0	0	0	0	0	111.1	N47 D51 L52 G53 L54 P56 L59 G82	N47-A49 VanDerWaalsContact C-N 3.3Å; N47-A49 PolarHBondContact O-N 2.96Å; N47-A49 WeakPolarHBondContact OD1-CB 3.44Å; N47-A49 PolarHBondContact OD1-N 3.34Å; N47-A49 VanDerWaalsContact OD1-N 3.14Å; A49-D51 PolarHBondContact O-N 3.34Å; A49-L52 CarbonylContact O-C 3.6Å; A49-L52 PolarHBondContact O-N 2.84Å; A49-G53 PolarHBondContact O-N 2.82Å; A49-L54 CarbonylContact C-O 3.29Å; A49-L54 VanDerWaalsContact C-O 3.29Å; A49-L54 WeakPolarHBondContact CB-O 3.43Å; A49-L54 PolarHBondContact O-N 2.9Å; A49-L54 VanDerWaalsContact O-O 3.04Å; A49-P56 HydrophobicContact CB-CG 4.36Å; A49-L59 HydrophobicContact CB-CD1 3.46Å; A49-L59 VanDerWaalsContact CB-CD1 3.46Å; A49-L59 HydrophobicContact CB-CG 4.36Å; A49-G82 PolarHBondContact N-O 3.49Å
50	N	90.4	Very high	88.9	Confident	115 Å²	115	68.3 Å²	68.3	62%	0.615	37%	0.374	S	S	*	.	H	α-helix	trans	-63.9	-42.3	177.6	-74.6	-5.7	0	0	0	112.3	N47 I48 L52 G53	N47-N50 HydrophobicContact CB-CB 4.31Å; N47-N50 PolarHBondContact ND2-ND2 3.4Å; N47-N50 VanDerWaalsContact ND2-ND2 3.17Å; N47-N50 PolarHBondContact O-N 3.42Å; N47-N50 PolarHBondContact OD1-N 3.43Å; I48-N50 PolarHBondContact O-N 3.2Å; N50-L52 PolarHBondContact O-N 3.34Å; N50-G53 PolarHBondContact O-N 3.49Å
51	D	89.8	Confident	89.1	Confident	87 Å²	87	69.4 Å²	69.4	47%	0.465	38%	0.376	S	S	.	.	H	α-helix	trans	-68.3	-25.4	-179	-66.8	-33.1	0	0	0	112.8	I31 Y33 N47 I48 A49	I31-D51 HydrophobicContact CD1-CB 3.7Å; I31-D51 HydrophobicContact CG1-CB 4.36Å; Y33-D51 WeakPolarHBondContact CE1-OD2 3.32Å; Y33-D51 VanDerWaalsContact CZ-OD2 3.3Å; Y33-D51 PolarHBondContact OH-OD2 3.07Å; N47-D51 PolarHBondContact O-N 2.84Å; I48-D51 PolarHBondContact O-N 3.41Å; A49-D51 PolarHBondContact O-N 3.34Å
52	L	87.2	Confident	89.1	Confident	87 Å²	87	69.2 Å²	69.2	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-90.1	-6.3	172	-64.5	179	0	0	0	113.3	I31 I48 A49 N50 L54 L59	I31-L52 HydrophobicContact CD1-CD2 4.17Å; I48-L52 HydrophobicContact CG2-CD1 3.54Å; I48-L52 HydrophobicContact CG2-CG 3.98Å; I48-L52 WeakPolarHBondContact O-CB 3.22Å; I48-L52 VanDerWaalsContact O-CG 3.32Å; I48-L52 WeakPolarHBondContact O-CG 3.37Å; I48-L52 PolarHBondContact O-N 3.31Å; A49-L52 CarbonylContact O-C 3.6Å; A49-L52 PolarHBondContact O-N 2.84Å; N50-L52 PolarHBondContact O-N 3.34Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 HydrophobicContact CB-CD1 4.06Å; L52-L54 HydrophobicContact CB-CG 4.1Å; L52-L54 HydrophobicContact CD1-CD1 4.41Å; L52-L54 PolarHBondContact O-N 2.78Å; L52-L59 HydrophobicContact CD1-CD2 4.06Å
53	G	88.3	Confident	89	Confident	65 Å²	65	69.4 Å²	69.4	67%	0.67	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	30	-174.7	0	0	0	0	0	113.5	A49 N50	A49-G53 PolarHBondContact O-N 2.82Å; N50-G53 PolarHBondContact O-N 3.49Å
54	L	88.8	Confident	88.8	Confident	31 Å²	31	70.6 Å²	70.6	16%	0.162	38%	0.379	C	S	.	.			trans	-114	148.5	-179	-63.9	175.9	0	0	0	110.3	A49 L52 E58 L59	A49-L54 CarbonylContact C-O 3.29Å; A49-L54 VanDerWaalsContact C-O 3.29Å; A49-L54 WeakPolarHBondContact CB-O 3.43Å; A49-L54 PolarHBondContact O-N 2.9Å; A49-L54 VanDerWaalsContact O-O 3.04Å; L52-L54 VanDerWaalsContact C-N 3.27Å; L52-L54 HydrophobicContact CB-CD1 4.06Å; L52-L54 HydrophobicContact CB-CG 4.1Å; L52-L54 HydrophobicContact CD1-CD1 4.41Å; L52-L54 PolarHBondContact O-N 2.78Å; L54-E58 HydrophobicContact CB-CB 4.48Å; L54-L59 HydrophobicContact CB-CD2 4.24Å; L54-L59 HydrophobicContact CB-CG 4.32Å; L54-L59 HydrophobicContact CD1-CD2 3.72Å
55	E	90.4	Very high	88.6	Confident	129 Å²	129	72.1 Å²	72.1	60%	0.603	38%	0.381	S	S	*	.			trans	-74.3	151.4	168.8	-63	-168.9	131.2	0	0	111.1	R57 E58 L59	E55-R57 PolarHBondContact O-N 3.24Å; E55-R57 VanDerWaalsContact O-N 3.12Å; E55-E58 HydrophobicContact CB-CG 4.19Å; E55-E58 PolarHBondContact N-OE2 3.15Å; E55-E58 WeakPolarHBondContact O-CB 2.95Å; E55-E58 PolarHBondContact O-N 2.97Å; E55-L59 PolarHBondContact O-N 3.18Å; E55-L59 VanDerWaalsContact O-N 3.1Å
56	P	87.9	Confident	88.4	Confident	46 Å²	46	73.5 Å²	73.5	30%	0.299	39%	0.386	S	S	.	.	H	α-helix	trans	-53.4	-35.7	177.2	-29.1	36.3	0	0	0	113.7	A49 L59 A60 S81	A49-P56 HydrophobicContact CB-CG 4.36Å; P56-L59 WeakPolarHBondContact O-CB 3.42Å; P56-L59 PolarHBondContact O-N 2.79Å; P56-A60 PolarHBondContact O-N 3.39Å; P56-S81 WeakPolarHBondContact CG-O 3.41Å
57	R	88.1	Confident	88.1	Confident	178 Å²	178	78.7 Å²	78.7	67%	0.672	42%	0.417	S	S	*	.	H	α-helix	trans	-66.4	-42	176.5	-176.7	178.7	169.8	178.3	-2.3	111.9	E55 L59 A60 E61	E55-R57 PolarHBondContact O-N 3.24Å; E55-R57 VanDerWaalsContact O-N 3.12Å; R57-L59 VanDerWaalsContact C-N 3.3Å; R57-L59 PolarHBondContact O-N 2.83Å; R57-A60 PolarHBondContact O-N 3.45Å; R57-E61 HydrophobicContact CG-CG 4.45Å; R57-E61 IonicContact CZ-OE1 3.44Å; R57-E61 IonicContact NE-OE1 2.79Å; R57-E61 PolarHBondContact NE-OE1 3.35Å; R57-E61 IonicContact NH2-OE1 3.24Å; R57-E61 PolarHBondContact NH2-OE1 2.82Å; R57-E61 WeakPolarHBondContact O-CG 2.88Å; R57-E61 PolarHBondContact O-N 2.88Å
58	E	88.9	Confident	87.7	Confident	53 Å²	53	78.8 Å²	78.8	25%	0.248	42%	0.421	C	S	.	.	H	α-helix	trans	-64.7	-35.4	177	-66.8	-175.8	86	0	0	111.9	L54 E55 A60 E61 R62	L54-E58 HydrophobicContact CB-CB 4.48Å; E55-E58 HydrophobicContact CB-CG 4.19Å; E55-E58 PolarHBondContact N-OE2 3.15Å; E55-E58 WeakPolarHBondContact O-CB 2.95Å; E55-E58 PolarHBondContact O-N 2.97Å; E58-A60 VanDerWaalsContact C-N 3.29Å; E58-A60 PolarHBondContact O-N 3.41Å; E58-E61 PolarHBondContact O-N 3.03Å; E58-R62 VanDerWaalsContact O-CB 3.23Å; E58-R62 WeakPolarHBondContact O-CB 3.33Å; E58-R62 WeakPolarHBondContact O-CG 3.34Å; E58-R62 PolarHBondContact O-N 2.97Å; E58-R62 IonicContact OE1-CZ 3.66Å; E58-R62 IonicContact OE1-NE 3.76Å; E58-R62 IonicContact OE1-NH2 2.79Å; E58-R62 PolarHBondContact OE1-NH2 3.1Å
59	L	87.4	Confident	86.9	Confident	2 Å²	2	87 Å²	87	1%	0.01	45%	0.451	C	S	.	.	H	α-helix	trans	-59.6	-42.2	174.3	-72.3	176.5	0	0	0	111.8	A49 L52 L54 E55 P56 R57 G63 V64	A49-L59 HydrophobicContact CB-CD1 3.46Å; A49-L59 VanDerWaalsContact CB-CD1 3.46Å; A49-L59 HydrophobicContact CB-CG 4.36Å; L52-L59 HydrophobicContact CD1-CD2 4.06Å; L54-L59 HydrophobicContact CB-CD2 4.24Å; L54-L59 HydrophobicContact CB-CG 4.32Å; L54-L59 HydrophobicContact CD1-CD2 3.72Å; E55-L59 PolarHBondContact O-N 3.18Å; E55-L59 VanDerWaalsContact O-N 3.1Å; P56-L59 WeakPolarHBondContact O-CB 3.42Å; P56-L59 PolarHBondContact O-N 2.79Å; R57-L59 VanDerWaalsContact C-N 3.3Å; R57-L59 PolarHBondContact O-N 2.83Å; L59-G63 PolarHBondContact O-N 3.12Å; L59-V64 HydrophobicContact CB-CB 4.47Å; L59-V64 HydrophobicContact CB-CG2 4.47Å; L59-V64 HydrophobicContact CD2-CB 4.06Å; L59-V64 HydrophobicContact CD2-CG1 4.18Å; L59-V64 HydrophobicContact CD2-CG2 3.7Å; L59-V64 PolarHBondContact O-N 3.14Å
60	A	84.6	Confident	85.9	Confident	64 Å²	64	88.7 Å²	88.7	53%	0.529	47%	0.468	S	S	.	.	H	α-helix	trans	-68.9	-46.2	177.4	0	0	0	0	0	111.6	P56 R57 E58 R62 G63	P56-A60 PolarHBondContact O-N 3.39Å; R57-A60 PolarHBondContact O-N 3.45Å; E58-A60 VanDerWaalsContact C-N 3.29Å; E58-A60 PolarHBondContact O-N 3.41Å; A60-R62 VanDerWaalsContact C-N 3.33Å; A60-R62 PolarHBondContact O-N 3.33Å; A60-G63 PolarHBondContact O-N 3.49Å; A60-G63 VanDerWaalsContact O-N 3.12Å
61	E	87.7	Confident	84.9	Confident	129 Å²	129	95.5 Å²	95.5	60%	0.603	49%	0.485	S	S	*	.	H	α-helix	trans	-63.5	-36.8	179.5	-71.9	177.5	179.9	0	0	112.3	R57 E58 G63	R57-E61 HydrophobicContact CG-CG 4.45Å; R57-E61 IonicContact CZ-OE1 3.44Å; R57-E61 IonicContact NE-OE1 2.79Å; R57-E61 PolarHBondContact NE-OE1 3.35Å; R57-E61 IonicContact NH2-OE1 3.24Å; R57-E61 PolarHBondContact NH2-OE1 2.82Å; R57-E61 WeakPolarHBondContact O-CG 2.88Å; R57-E61 PolarHBondContact O-N 2.88Å; E58-E61 PolarHBondContact O-N 3.03Å; E61-G63 VanDerWaalsContact C-N 3.25Å; E61-G63 PolarHBondContact O-N 3.22Å
62	R	86.7	Confident	84.2	Confident	160 Å²	160	94.2 Å²	94.2	60%	0.604	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-2.7	177.1	-64.8	173.4	-170.6	-137.8	10.2	113.5	E58 A60 V64	E58-R62 VanDerWaalsContact O-CB 3.23Å; E58-R62 WeakPolarHBondContact O-CB 3.33Å; E58-R62 WeakPolarHBondContact O-CG 3.34Å; E58-R62 PolarHBondContact O-N 2.97Å; E58-R62 IonicContact OE1-CZ 3.66Å; E58-R62 IonicContact OE1-NE 3.76Å; E58-R62 IonicContact OE1-NH2 2.79Å; E58-R62 PolarHBondContact OE1-NH2 3.1Å; A60-R62 VanDerWaalsContact C-N 3.33Å; A60-R62 PolarHBondContact O-N 3.33Å; R62-V64 HydrophobicContact CB-CG2 4.31Å; R62-V64 PolarHBondContact O-N 3.43Å
63	G	84.4	Confident	84	Confident	53 Å²	53	94.3 Å²	94.3	55%	0.546	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	36.1	177.8	0	0	0	0	0	113.6	L59 A60 E61 R65	L59-G63 PolarHBondContact O-N 3.12Å; A60-G63 PolarHBondContact O-N 3.49Å; A60-G63 VanDerWaalsContact O-N 3.12Å; E61-G63 VanDerWaalsContact C-N 3.25Å; E61-G63 PolarHBondContact O-N 3.22Å; G63-R65 PolarHBondContact O-N 3.44Å
64	V	87	Confident	83.8	Confident	56 Å²	56	91.7 Å²	91.7	34%	0.339	45%	0.449	S	S	.	.			trans	-63.9	129.7	179.4	178.5	0	0	0	0	109.9	L59 R62 L77	L59-V64 HydrophobicContact CB-CB 4.47Å; L59-V64 HydrophobicContact CB-CG2 4.47Å; L59-V64 HydrophobicContact CD2-CB 4.06Å; L59-V64 HydrophobicContact CD2-CG1 4.18Å; L59-V64 HydrophobicContact CD2-CG2 3.7Å; L59-V64 PolarHBondContact O-N 3.14Å; R62-V64 HydrophobicContact CB-CG2 4.31Å; R62-V64 PolarHBondContact O-N 3.43Å; V64-L77 HydrophobicContact CG1-CD2 4.39Å
65	R	87.1	Confident	83.8	Confident	161 Å²	161	92.4 Å²	92.4	61%	0.608	45%	0.451	S	S	*	.			trans	-138.1	146.2	-179.7	65.3	-178.9	-175.4	146.7	1.4	111.3	M1 G63 V67	M1-R65 VanDerWaalsContact CE-NH2 3.28Å; M1-R65 PolarHBondContact SD-NH2 3.21Å; G63-R65 PolarHBondContact O-N 3.44Å; R65-V67 HydrophobicContact CG-CG2 4.38Å
66	I	87.4	Confident	83.8	Confident	50 Å²	50	88.7 Å²	88.7	26%	0.256	44%	0.439	S	S	.	.			trans	-84.4	131.2	174.2	-61.9	168.8	0	0	0	108.2	Q73 L77 L84	I66-Q73 PolarHBondContact O-NE2 3.42Å; I66-L77 HydrophobicContact CD1-CB 4.11Å; I66-L84 HydrophobicContact CD1-CD1 3.25Å; I66-L84 HydrophobicContact CG1-CD1 4.42Å
67	V	84.7	Confident	84	Confident	114 Å²	114	88 Å²	88	69%	0.691	43%	0.432	S	S	*	.			trans	-117.6	113.3	173.5	-176.8	0	0	0	0	107.7	R65	R65-V67 HydrophobicContact CG-CG2 4.38Å
68	S	82.5	Confident	84.1	Confident	47 Å²	47	81.9 Å²	81.9	33%	0.329	41%	0.413	S	S	.	.			trans	-90.5	139	172.7	-178.7	0	0	0	0	109.5	G70 T72	S68-G70 VanDerWaalsContact C-N 3.25Å; S68-G70 PolarHBondContact OG-N 2.5Å; S68-T72 PolarHBondContact OG-O 3.17Å
69	R	74.8	Confident	83.9	Confident	201 Å²	201	83.9 Å²	83.9	76%	0.758	43%	0.431	S	S	*	.	S	Bend	trans	-80.8	-7.8	172.6	-154.1	-170.6	-68.5	-125.4	-0.6	112.4	K107	R69-K107 PolarHBondContact NE-O 3.43Å; R69-K107 PolarHBondContact NH2-O 3.15Å; R69-K107 PolarHBondContact NH2-OXT 3.46Å
70	G	70.4	Confident	83.8	Confident	35 Å²	35	92.1 Å²	92.1	36%	0.361	47%	0.469	S	S	.	.	S	Bend	trans	-86.2	176.6	-179.1	0	0	0	0	0	114.2	S68 T72	S68-G70 VanDerWaalsContact C-N 3.25Å; S68-G70 PolarHBondContact OG-N 2.5Å; G70-T72 VanDerWaalsContact C-N 3.35Å
71	R	68.1	Low	83.9	Confident	258 Å²	258	91.3 Å²	91.3	97%	0.974	46%	0.46	S	S	*	.	S	Bend	trans	-69.2	-34.5	173.7	-67.8	-177.8	179.4	178.8	-0.4	112.3
72	T	75.4	Confident	84	Confident	59 Å²	59	85.2 Å²	85.2	36%	0.362	43%	0.431	S	S	.	.	S	Bend	trans	-114.1	141.8	-180	40.6	0	0	0	0	110.9	S68 G70 E88	S68-T72 PolarHBondContact OG-O 3.17Å; G70-T72 VanDerWaalsContact C-N 3.35Å; T72-E88 WeakPolarHBondContact CB-OE2 3.47Å
73	Q	82.9	Confident	84.3	Confident	89 Å²	89	78 Å²	78	42%	0.416	41%	0.405	S	S	.	.			trans	-91.8	98.5	173.7	178.6	157.2	33.5	0	0	108	I66 F75 A87	I66-Q73 PolarHBondContact O-NE2 3.42Å; Q73-F75 VanDerWaalsContact C-N 3.3Å; Q73-F75 WeakPolarHBondContact CG-O 3.41Å; Q73-F75 PolarHBondContact NE2-O 3.29Å; Q73-F75 PolarHBondContact O-N 3.45Å; Q73-A87 VanDerWaalsContact O-CB 3.27Å; Q73-A87 WeakPolarHBondContact O-CB 3.42Å
74	L	85.1	Confident	84.7	Confident	11 Å²	11	76.2 Å²	76.2	6%	0.058	38%	0.383	C	S	.	.			trans	-76	-19.4	-177.5	-62.1	172.9	0	0	0	113.3	A87 E88 L95 W106	L74-A87 PolarHBondContact O-N 2.79Å; L74-E88 HydrophobicContact CD2-CB 4.46Å; L74-L95 HydrophobicContact CD1-CD1 4.09Å; L74-L95 HydrophobicContact CD1-CD2 3.83Å; L74-W106 HydrophobicContact CD1-CH2 3.29Å; L74-W106 HydrophobicContact CD1-CZ3 3.53Å
75	F	89.3	Confident	84.9	Confident	45 Å²	45	74.5 Å²	74.5	20%	0.197	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.9	-176.9	-53.5	-74.6	0	0	0	111.5	V45 Q73 L84 V85 T86 I90	V45-F75 HydrophobicContact CG2-CD1 4.09Å; V45-F75 HydrophobicContact CG2-CE1 4.03Å; Q73-F75 VanDerWaalsContact C-N 3.3Å; Q73-F75 WeakPolarHBondContact CG-O 3.41Å; Q73-F75 PolarHBondContact NE2-O 3.29Å; Q73-F75 PolarHBondContact O-N 3.45Å; F75-L84 HydrophobicContact CB-CD1 3.63Å; F75-L84 HydrophobicContact CB-CG 4.21Å; F75-L84 HydrophobicContact CD1-CD2 4.48Å; F75-L84 HydrophobicContact CD1-CG 4.44Å; F75-L84 HydrophobicContact CG-CD1 4.39Å; F75-V85 CarbonylContact C-O 3.56Å; F75-V85 WeakPolarHBondContact CA-O 3.42Å; F75-T86 HydrophobicContact CE1-CG2 4.43Å; F75-I90 HydrophobicContact CE1-CD1 3.85Å; F75-I90 HydrophobicContact CZ-CD1 3.95Å
76	S	90.4	Very high	85.1	Confident	51 Å²	51	67 Å²	67	36%	0.357	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.5	175.9	-169.8	0	0	0	0	110.6	V85	S76-V85 PolarHBondContact N-O 3.11Å; S76-V85 WeakPolarHBondContact O-CG2 3.48Å; S76-V85 PolarHBondContact O-N 3.22Å
77	L	90.9	Very high	85.1	Confident	31 Å²	31	65.6 Å²	65.6	16%	0.162	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	129.3	175.2	-169.2	75.2	0	0	0	108.5	I48 V64 I66 P79	I48-L77 HydrophobicContact CB-CD1 4.42Å; I48-L77 HydrophobicContact CD1-CD1 4.21Å; V64-L77 HydrophobicContact CG1-CD2 4.39Å; I66-L77 HydrophobicContact CD1-CB 4.11Å; L77-P79 WeakPolarHBondContact O-CD 3.29Å
78	N	90.6	Very high	85	Confident	50 Å²	50	64.5 Å²	64.5	27%	0.267	33%	0.328	S	S	.	.			trans	-78.6	115.6	169.7	-175.5	-28.2	0	0	0	109	Q80 S81 G82 S83 V85	N78-Q80 VanDerWaalsContact C-N 3.27Å; N78-Q80 PolarHBondContact O-N 3.03Å; N78-Q80 WeakPolarHBondContact OD1-CB 3.45Å; N78-Q80 PolarHBondContact OD1-N 3.02Å; N78-S81 PolarHBondContact OD1-N 3.34Å; N78-G82 VanDerWaalsContact O-CA 3.29Å; N78-G82 WeakPolarHBondContact O-CA 3.5Å; N78-G82 PolarHBondContact O-N 2.94Å; N78-S83 PolarHBondContact N-O 2.9Å; N78-V85 HydrophobicContact CB-CG1 4.03Å
79	P	83.6	Confident	85	Confident	95 Å²	95	69.2 Å²	69.2	62%	0.617	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.1	-177.1	29.3	-35.4	0	0	0	113.5	L77	L77-P79 WeakPolarHBondContact O-CD 3.29Å
80	Q	86.4	Confident	85.1	Confident	175 Å²	175	60.8 Å²	60.8	82%	0.818	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-45.2	179.3	-62.6	-174.2	-6.7	0	0	111.6	N78	N78-Q80 VanDerWaalsContact C-N 3.27Å; N78-Q80 PolarHBondContact O-N 3.03Å; N78-Q80 WeakPolarHBondContact OD1-CB 3.45Å; N78-Q80 PolarHBondContact OD1-N 3.02Å
81	S	87.2	Confident	85.3	Confident	47 Å²	47	62 Å²	62	33%	0.329	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-12.2	-175.2	70.8	0	0	0	0	114.1	P56 N78 S83	P56-S81 WeakPolarHBondContact CG-O 3.41Å; N78-S81 PolarHBondContact OD1-N 3.34Å; S81-S83 WeakPolarHBondContact CB-OG 3.25Å; S81-S83 PolarHBondContact O-N 3.3Å; S81-S83 VanDerWaalsContact OG-CB 3.25Å; S81-S83 WeakPolarHBondContact OG-CB 3.23Å; S81-S83 PolarHBondContact OG-N 3.47Å; S81-S83 PolarHBondContact OG-OG 3.3Å
82	G	89.3	Confident	85.6	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.01	28%	0.276	C	S	.	.			trans	67.8	17.3	-173.2	0	0	0	0	0	113.6	A49 N78	A49-G82 PolarHBondContact N-O 3.49Å; N78-G82 VanDerWaalsContact O-CA 3.29Å; N78-G82 WeakPolarHBondContact O-CA 3.5Å; N78-G82 PolarHBondContact O-N 2.94Å
83	S	92.6	Very high	85.4	Confident	8 Å²	8	54.7 Å²	54.7	6%	0.056	28%	0.276	C	S	.	.			trans	-95.7	150.2	-175.6	-47.8	0	0	0	0	112.4	G46 N78 S81	G46-S83 CarbonylContact O-C 3.55Å; G46-S83 WeakPolarHBondContact O-CA 3.47Å; G46-S83 WeakPolarHBondContact O-CB 3.16Å; N78-S83 PolarHBondContact N-O 2.9Å; S81-S83 WeakPolarHBondContact CB-OG 3.25Å; S81-S83 PolarHBondContact O-N 3.3Å; S81-S83 VanDerWaalsContact OG-CB 3.25Å; S81-S83 WeakPolarHBondContact OG-CB 3.23Å; S81-S83 PolarHBondContact OG-N 3.47Å; S81-S83 PolarHBondContact OG-OG 3.3Å
84	L	92.4	Very high	84.9	Confident	16 Å²	16	57.6 Å²	57.6	8%	0.084	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	127.3	167.8	-168.7	61.7	0	0	0	109.4	Y33 V45 G46 I48 I66 F75	Y33-L84 HydrophobicContact CD2-CD2 3.76Å; Y33-L84 HydrophobicContact CE2-CD2 3.87Å; V45-L84 HydrophobicContact CB-CB 4.17Å; V45-L84 HydrophobicContact CB-CD2 4.17Å; V45-L84 HydrophobicContact CB-CG 4.09Å; V45-L84 WeakPolarHBondContact CB-O 3.35Å; V45-L84 HydrophobicContact CG1-CD2 3.76Å; V45-L84 HydrophobicContact CG1-CG 4.25Å; V45-L84 PolarHBondContact N-O 2.92Å; G46-L84 PolarHBondContact N-O 3.21Å; G46-L84 PolarHBondContact O-N 3.03Å; I48-L84 HydrophobicContact CD1-CB 3.66Å; I48-L84 HydrophobicContact CD1-CD1 3.72Å; I48-L84 HydrophobicContact CD1-CD2 4.19Å; I48-L84 HydrophobicContact CD1-CG 4.06Å; I48-L84 HydrophobicContact CG1-CB 4.01Å; I66-L84 HydrophobicContact CD1-CD1 3.25Å; I66-L84 HydrophobicContact CG1-CD1 4.42Å; F75-L84 HydrophobicContact CB-CD1 3.63Å; F75-L84 HydrophobicContact CB-CG 4.21Å; F75-L84 HydrophobicContact CD1-CD2 4.48Å; F75-L84 HydrophobicContact CD1-CG 4.44Å; F75-L84 HydrophobicContact CG-CD1 4.39Å
85	V	91.9	Very high	84.3	Confident	21 Å²	21	59 Å²	59	13%	0.127	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	155.1	176.6	-62.3	0	0	0	0	110.8	S43 F75 S76 N78	S43-V85 CarbonylContact O-C 3.57Å; S43-V85 VanDerWaalsContact O-CA 3.22Å; S43-V85 WeakPolarHBondContact O-CA 3.11Å; F75-V85 CarbonylContact C-O 3.56Å; F75-V85 WeakPolarHBondContact CA-O 3.42Å; S76-V85 PolarHBondContact N-O 3.11Å; S76-V85 WeakPolarHBondContact O-CG2 3.48Å; S76-V85 PolarHBondContact O-N 3.22Å; N78-V85 HydrophobicContact CB-CG1 4.03Å
86	T	90.7	Very high	83.4	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.012	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	130.5	171.7	51.2	0	0	0	0	110.3	L39 D40 G42 S43 V45 F75 I90	L39-T86 HydrophobicContact CB-CG2 4Å; D40-T86 PolarHBondContact O-OG1 3.41Å; G42-T86 WeakPolarHBondContact CA-O 3.48Å; G42-T86 PolarHBondContact N-O 3Å; G42-T86 PolarHBondContact N-OG1 3.45Å; G42-T86 VanDerWaalsContact N-OG1 3.12Å; S43-T86 PolarHBondContact N-OG1 3.31Å; S43-T86 PolarHBondContact O-N 2.65Å; S43-T86 PolarHBondContact O-OG1 3.36Å; V45-T86 HydrophobicContact CG2-CG2 3.82Å; F75-T86 HydrophobicContact CE1-CG2 4.43Å; T86-I90 HydrophobicContact CG2-CD1 4.17Å
87	A	87.8	Confident	82.3	Confident	22 Å²	22	59 Å²	59	18%	0.182	31%	0.307	C	S	.	.	S	Bend	trans	-93.7	-30	176.9	0	0	0	0	0	112.1	K41 Q73 L74	K41-A87 VanDerWaalsContact CD-O 3.25Å; K41-A87 WeakPolarHBondContact CD-O 3.33Å; K41-A87 WeakPolarHBondContact CE-O 3.47Å; K41-A87 VanDerWaalsContact CG-O 3.32Å; K41-A87 WeakPolarHBondContact CG-O 3.34Å; Q73-A87 VanDerWaalsContact O-CB 3.27Å; Q73-A87 WeakPolarHBondContact O-CB 3.42Å; L74-A87 PolarHBondContact O-N 2.79Å
88	E	83.4	Confident	80.8	Confident	90 Å²	90	65.1 Å²	65.1	42%	0.421	34%	0.335	S	S	.	.	S	Bend	trans	-135.4	161.4	175.2	-73	-174.5	150.4	0	0	109.6	T72 L74	T72-E88 WeakPolarHBondContact CB-OE2 3.47Å; L74-E88 HydrophobicContact CD2-CB 4.46Å
89	R	81.2	Confident	79.5	Confident	147 Å²	147	67.3 Å²	67.3	56%	0.555	35%	0.345	S	S	*	.			trans	-65.5	134.4	174.1	-76.1	179.7	65	-168.4	-2.8	109.3	E38 L39 D91	E38-R89 IonicContact OE2-CZ 3.91Å; E38-R89 IonicContact OE2-NH2 2.84Å; E38-R89 PolarHBondContact OE2-NH2 2.9Å; L39-R89 WeakPolarHBondContact O-CA 3.32Å; R89-D91 PolarHBondContact O-N 2.78Å
90	I	78.4	Confident	78.3	Confident	23 Å²	23	68.5 Å²	68.5	12%	0.118	35%	0.353	C	S	.	.			trans	-88.9	96.9	179.5	-56.2	-177.7	0	0	0	108.2	V35 E38 F75 T86 L95	V35-I90 HydrophobicContact CG1-CD1 3.72Å; E38-I90 PolarHBondContact N-O 3.28Å; F75-I90 HydrophobicContact CE1-CD1 3.85Å; F75-I90 HydrophobicContact CZ-CD1 3.95Å; T86-I90 HydrophobicContact CG2-CD1 4.17Å; I90-L95 HydrophobicContact CG2-CD1 3.84Å
91	D	74.5	Confident	77	Confident	61 Å²	61	66.7 Å²	66.7	33%	0.326	35%	0.348	S	S	.	.			trans	-95.8	118.6	173.7	-174.2	-44.3	0	0	0	109.2	R89 E93 E94 L95	R89-D91 PolarHBondContact O-N 2.78Å; D91-E93 VanDerWaalsContact C-N 3.31Å; D91-E93 PolarHBondContact O-N 3.48Å; D91-E93 WeakPolarHBondContact OD1-CA 3.41Å; D91-E93 VanDerWaalsContact OD1-CB 3.3Å; D91-E93 WeakPolarHBondContact OD1-CB 3.28Å; D91-E93 PolarHBondContact OD1-N 2.87Å; D91-E94 HydrophobicContact CB-CB 4.1Å; D91-E94 PolarHBondContact OD1-N 3.21Å; D91-L95 VanDerWaalsContact O-CG 3.32Å; D91-L95 WeakPolarHBondContact O-CG 3.47Å; D91-L95 PolarHBondContact O-N 2.89Å
92	R	74	Confident	75.9	Confident	88 Å²	88	66.8 Å²	66.8	33%	0.332	35%	0.349	S	S	.	.	H	α-helix	trans	-67.2	-36.3	-177.1	-172.6	-167.9	73.1	118.3	2.9	110.7	L95 C96	R92-L95 PolarHBondContact O-N 3.39Å; R92-C96 WeakPolarHBondContact O-CB 3.37Å; R92-C96 PolarHBondContact O-N 2.95Å
93	E	71.5	Confident	74.7	Confident	76 Å²	76	74 Å²	74	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-68.9	-38.6	-178.3	-70.4	60.1	-139.8	0	0	110.9	D91 A97	D91-E93 VanDerWaalsContact C-N 3.31Å; D91-E93 PolarHBondContact O-N 3.48Å; D91-E93 WeakPolarHBondContact OD1-CA 3.41Å; D91-E93 VanDerWaalsContact OD1-CB 3.3Å; D91-E93 WeakPolarHBondContact OD1-CB 3.28Å; D91-E93 PolarHBondContact OD1-N 2.87Å; E93-A97 VanDerWaalsContact O-CA 3.29Å; E93-A97 WeakPolarHBondContact O-CA 3.48Å; E93-A97 PolarHBondContact O-N 3.37Å
94	E	71.7	Confident	73.3	Confident	150 Å²	150	78.9 Å²	78.9	70%	0.701	40%	0.403	S	S	*	.	H	α-helix	trans	-67.1	-39.6	174	-168.7	178.9	174.5	0	0	111.9	D91	D91-E94 HydrophobicContact CB-CB 4.1Å; D91-E94 PolarHBondContact OD1-N 3.21Å
95	L	72.3	Confident	71.5	Confident	41 Å²	41	85.4 Å²	85.4	22%	0.215	44%	0.438	C	S	.	.	H	α-helix	trans	-77.4	-30.7	-177.9	-67.9	174.3	0	0	0	113.9	L74 I90 D91 R92 W106	L74-L95 HydrophobicContact CD1-CD1 4.09Å; L74-L95 HydrophobicContact CD1-CD2 3.83Å; I90-L95 HydrophobicContact CG2-CD1 3.84Å; D91-L95 VanDerWaalsContact O-CG 3.32Å; D91-L95 WeakPolarHBondContact O-CG 3.47Å; D91-L95 PolarHBondContact O-N 2.89Å; R92-L95 PolarHBondContact O-N 3.39Å; L95-W106 HydrophobicContact CD1-CH2 4.24Å; L95-W106 HydrophobicContact CD1-CZ2 4.49Å; L95-W106 HydrophobicContact CD2-CH2 4.36Å
96	C	71.3	Confident	69.7	Low	16 Å²	16	91.4 Å²	91.4	11%	0.108	46%	0.459	C	S	.	.	H	α-helix	trans	-127.9	5.4	-166.1	-63.1	0	0	0	0	114.6	R92 Q98 I99 C102	R92-C96 WeakPolarHBondContact O-CB 3.37Å; R92-C96 PolarHBondContact O-N 2.95Å; C96-Q98 VanDerWaalsContact C-N 3.26Å; C96-Q98 PolarHBondContact O-N 3.21Å; C96-Q98 VanDerWaalsContact O-N 3.12Å; C96-I99 WeakPolarHBondContact O-CG1 3.36Å; C96-I99 PolarHBondContact O-N 3.48Å; C96-C102 HydrophobicContact CB-CB 3.39Å; C96-C102 WeakPolarHBondContact CB-SG 3.49Å; C96-C102 WeakPolarHBondContact SG-CB 3.48Å; C96-C102 CovalentContact SG-SG 2.01Å; C96-C102 PolarHBondContact SG-SG 3.33Å
97	A	67.1	Low	67.2	Low	79 Å²	79	101.4 Å²	101.4	65%	0.653	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	47.9	173.4	0	0	0	0	0	113.6	E93 I99	E93-A97 VanDerWaalsContact O-CA 3.29Å; E93-A97 WeakPolarHBondContact O-CA 3.48Å; E93-A97 PolarHBondContact O-N 3.37Å; A97-I99 VanDerWaalsContact C-N 3.31Å; A97-I99 PolarHBondContact O-N 3.03Å
98	Q	59.3	Low	66.2	Low	159 Å²	159	105.4 Å²	105.4	74%	0.743	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	15.4	177.1	-54.4	-179	-3.3	0	0	117	C96	C96-Q98 VanDerWaalsContact C-N 3.26Å; C96-Q98 PolarHBondContact O-N 3.21Å; C96-Q98 VanDerWaalsContact O-N 3.12Å
99	I	62.3	Low	65.3	Low	96 Å²	96	106.2 Å²	106.2	49%	0.492	52%	0.523	S	S	.	.			trans	-73.7	126.2	175.3	-56.8	169.3	0	0	0	109.3	C96 A97 L101	C96-I99 WeakPolarHBondContact O-CG1 3.36Å; C96-I99 PolarHBondContact O-N 3.48Å; A97-I99 VanDerWaalsContact C-N 3.31Å; A97-I99 PolarHBondContact O-N 3.03Å; I99-L101 WeakPolarHBondContact CG2-O 3.36Å; I99-L101 PolarHBondContact O-N 3.38Å; I99-L101 VanDerWaalsContact O-N 3.16Å
100	P	59.2	Low	64.4	Low	120 Å²	120	103.9 Å²	103.9	78%	0.779	52%	0.521	S	S	*	.	S	Bend	trans	-64.4	-21.4	-176.4	21.9	-31.4	0	0	0	113.8
101	L	58.4	Low	63.6	Low	137 Å²	137	108.6 Å²	108.6	72%	0.717	55%	0.545	S	S	*	.	S	Bend	trans	-131.3	96.9	177.1	-127.3	145.5	0	0	0	109.3	I99 L103	I99-L101 WeakPolarHBondContact CG2-O 3.36Å; I99-L101 PolarHBondContact O-N 3.38Å; I99-L101 VanDerWaalsContact O-N 3.16Å; L101-L103 HydrophobicContact CD2-CD1 4.47Å; L101-L103 HydrophobicContact CD2-CG 4.45Å
102	C	65.5	Low	62.9	Low	50 Å²	50	111.6 Å²	111.6	34%	0.338	56%	0.559	S	S	.	*			trans	-103.1	101.8	-177.3	-174	0	0	0	0	111.1	C96 R104	C96-C102 HydrophobicContact CB-CB 3.39Å; C96-C102 WeakPolarHBondContact CB-SG 3.49Å; C96-C102 WeakPolarHBondContact SG-CB 3.48Å; C96-C102 CovalentContact SG-SG 2.01Å; C96-C102 PolarHBondContact SG-SG 3.33Å; C102-R104 PolarHBondContact O-N 3.33Å
103	L	63.3	Low	62.2	Low	153 Å²	153	113.2 Å²	113.2	80%	0.801	57%	0.574	S	S	*	*			trans	-95.7	83.4	172.4	-74.8	165.9	0	0	0	109.4	L101	L101-L103 HydrophobicContact CD2-CD1 4.47Å; L101-L103 HydrophobicContact CD2-CG 4.45Å
104	R	62.2	Low	61.5	Low	109 Å²	109	115.9 Å²	115.9	41%	0.411	59%	0.59	S	S	.	*			trans	-88.8	112.7	173.7	-163.3	160.6	-176.7	-120.2	8.8	109.6	C102 W106	C102-R104 PolarHBondContact O-N 3.33Å; R104-W106 PolarHBondContact O-N 2.74Å; R104-W106 PolarHBondContact O-NE1 3.33Å
105	N	54.7	Low	60.7	Low	153 Å²	153	113.2 Å²	113.2	82%	0.818	58%	0.581	S	S	*	*			trans	-73.6	105.5	173.2	-79.1	-44.4	0	0	0	109.6	K107	N105-K107 PolarHBondContact O-N 3.16Å; N105-K107 VanDerWaalsContact O-N 3.15Å
106	W	55.9	Low	59.7	Low	148 Å²	148	119.3 Å²	119.3	56%	0.561	61%	0.612	S	S	*	*			trans	-77.8	89.5	168.9	-51.5	90.1	0	0	0	108.2	L74 L95 R104	L74-W106 HydrophobicContact CD1-CH2 3.29Å; L74-W106 HydrophobicContact CD1-CZ3 3.53Å; L95-W106 HydrophobicContact CD1-CH2 4.24Å; L95-W106 HydrophobicContact CD1-CZ2 4.49Å; L95-W106 HydrophobicContact CD2-CH2 4.36Å; R104-W106 PolarHBondContact O-N 2.74Å; R104-W106 PolarHBondContact O-NE1 3.33Å
107	K	37.8	Very low	58.7	Low	211 Å²	211	128.6 Å²	128.6	92%	0.917	66%	0.657	S	S	*	*			trans	-119.1	0	-177.1	-159.9	-172.2	-179.3	132.4	0	112.6	R69 N105	R69-K107 PolarHBondContact NE-O 3.43Å; R69-K107 PolarHBondContact NH2-O 3.15Å; R69-K107 PolarHBondContact NH2-OXT 3.46Å; N105-K107 PolarHBondContact O-N 3.16Å; N105-K107 VanDerWaalsContact O-N 3.15Å

Retrieved 107 of 107 residues in 709.5 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).