A0A087WVD0_HUMAN Loading...

Neural cell adhesion molecule 1

AlphaFold DB , UniProt , Accession A0A087WVD0, Species HUMAN (Homo sapiens, Human), Gene NCAM1, Length 133 aa.

						>A0A087WVD0_HUMAN|A0A087WVD0|NCAM1
MLQTKDLIWTLFFLGTAAKPKITYVENQTAMELEEQVTLTCEASGDPIPSITWRTSTRNISSEEKTLDGHMVVRSHARVSSLTLKSIQYTDAGEYICTASNTIGQDSQSMYLEVQYAPKLQGPVAVYTWEGNQ
					

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	41.3	Very low	50.6	Low	242 Å²	242	145.3 Å²	145.3	100%	1.192	73%	0.725	S	S	*	*				0	95.1	0	-95.6	175.5	-174.8	0	0	107.5	Q3	M1-Q3 PolarHBondContact O-N 3.11Å
2	L	41.9	Very low	51.2	Low	170 Å²	170	148.1 Å²	148.1	89%	0.89	73%	0.73	S	S	*	*			trans	-69.2	122.5	169.4	-79	111.8	0	0	0	107.5	T4	L2-T4 PolarHBondContact O-N 3.21Å
3	Q	46.9	Very low	51.5	Low	152 Å²	152	147.8 Å²	147.8	71%	0.71	72%	0.723	S	S	*	*			trans	-65.9	100.9	175.1	-77.8	179.5	-20.8	0	0	108.1	M1 K5	M1-Q3 PolarHBondContact O-N 3.11Å; Q3-K5 PolarHBondContact O-N 3.37Å
4	T	51.2	Low	52	Low	106 Å²	106	149.2 Å²	149.2	65%	0.65	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	18.1	175.6	40.1	0	0	0	0	113.9	L2	L2-T4 PolarHBondContact O-N 3.21Å
5	K	48.9	Very low	52.7	Low	158 Å²	158	141.9 Å²	141.9	69%	0.687	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-17.7	176.4	-67	-170.7	174.2	-175.5	0	112.8	Q3 W9	Q3-K5 PolarHBondContact O-N 3.37Å; K5-W9 VanDerWaalsContact O-CD1 3.29Å
6	D	56.8	Low	54	Low	119 Å²	119	141.2 Å²	141.2	64%	0.636	72%	0.717	S	S	*	*	H	α-helix	trans	-82.7	-20.9	-176.9	-64.3	-33.9	0	0	0	114.2	T10	D6-T10 PolarHBondContact O-OG1 3.24Å
7	L	52.1	Low	56	Low	119 Å²	119	136.1 Å²	136.1	62%	0.623	70%	0.702	S	S	*	*	H	α-helix	trans	-85.7	-18.7	-176.7	-81	158.2	0	0	0	114.2	T10	L7-T10 WeakPolarHBondContact CA-OG1 3.5Å; L7-T10 PolarHBondContact O-OG1 3.47Å
8	I	60.1	Low	58	Low	114 Å²	114	130.9 Å²	130.9	59%	0.585	68%	0.682	S	S	*	*	H	α-helix	trans	-83	-27.5	-179.9	-59.4	175.6	0	0	0	111
9	W	50.3	Low	60	Low	188 Å²	188	131.4 Å²	131.4	71%	0.712	68%	0.678	S	S	*	*	H	α-helix	trans	-71.2	-39.1	173	-73	98.5	0	0	0	112.4	K5 L11 F12 F13	K5-W9 VanDerWaalsContact O-CD1 3.29Å; W9-L11 VanDerWaalsContact C-N 3.26Å; W9-L11 PolarHBondContact O-N 3.18Å; W9-F12 PolarHBondContact O-N 3.27Å; W9-F13 WeakPolarHBondContact O-CD2 3.12Å
10	T	53.9	Low	61.9	Low	93 Å²	93	125.1 Å²	125.1	57%	0.571	65%	0.646	S	S	*	*	H	α-helix	trans	-64.8	-24.2	179.4	30.7	0	0	0	0	114.5	D6 L7	D6-T10 PolarHBondContact O-OG1 3.24Å; L7-T10 WeakPolarHBondContact CA-OG1 3.5Å; L7-T10 PolarHBondContact O-OG1 3.47Å
11	L	53.5	Low	63.6	Low	137 Å²	137	124.1 Å²	124.1	72%	0.717	64%	0.637	S	S	*	*	H	α-helix	trans	-89.6	-13.2	-177.8	-68.7	173.6	0	0	0	114.2	W9	W9-L11 VanDerWaalsContact C-N 3.26Å; W9-L11 PolarHBondContact O-N 3.18Å
12	F	57.1	Low	66.3	Low	179 Å²	179	113.1 Å²	113.1	79%	0.785	58%	0.583	S	S	*	*	H	α-helix	trans	-87.6	-11.5	171.8	-93	-89.3	0	0	0	113.5	W9 L14	W9-F12 PolarHBondContact O-N 3.27Å; F12-L14 PolarHBondContact O-N 2.93Å
13	F	55.8	Low	69	Low	145 Å²	145	108.9 Å²	108.9	64%	0.636	56%	0.564	S	S	*	*			trans	-97.9	52.4	178.3	-81.2	-78.3	0	0	0	113.4	W9	W9-F13 WeakPolarHBondContact O-CD2 3.12Å
14	L	58.6	Low	71.4	Confident	167 Å²	167	106 Å²	106	87%	0.874	55%	0.548	S	S	*	.			trans	-89.5	8.4	155.3	-85	156.7	0	0	0	111.8	F12	F12-L14 PolarHBondContact O-N 2.93Å
15	G	62.5	Low	73.6	Confident	39 Å²	39	102.9 Å²	102.9	40%	0.402	53%	0.528	S	S	.	.	S	Bend	trans	-86.9	121.1	164.8	0	0	0	0	0	109.7	A17	G15-A17 PolarHBondContact O-N 2.93Å
16	T	73.4	Confident	75.9	Confident	131 Å²	131	100.1 Å²	100.1	80%	0.804	52%	0.518	S	S	*	.			trans	-71.5	115.4	172.5	45.1	0	0	0	0	108.5	A18	T16-A18 PolarHBondContact O-N 3Å
17	A	87.5	Confident	77.8	Confident	55 Å²	55	99 Å²	99	46%	0.455	51%	0.512	S	S	.	.			trans	-59.9	134.6	173.9	0	0	0	0	0	109.7	G15 D46 I103	G15-A17 PolarHBondContact O-N 2.93Å; A17-D46 CarbonylContact C-O 3.29Å; A17-D46 WeakPolarHBondContact CA-O 3.48Å; A17-I103 HydrophobicContact CB-CD1 3.6Å; A17-I103 HydrophobicContact CB-CG1 3.91Å
18	A	92.8	Very high	80	Confident	42 Å²	42	96.1 Å²	96.1	35%	0.347	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.9	-171.8	0	0	0	0	0	111	T16 D46 N101	T16-A18 PolarHBondContact O-N 3Å; A18-D46 HydrophobicContact CB-CB 4.38Å; A18-D46 PolarHBondContact N-O 3.49Å; A18-D46 PolarHBondContact O-N 3.33Å; A18-D46 VanDerWaalsContact O-N 3.15Å; A18-D46 VanDerWaalsContact O-O 3.06Å; A18-N101 PolarHBondContact O-ND2 3.23Å
19	K	95.7	Very high	81.7	Confident	140 Å²	140	94.3 Å²	94.3	61%	0.609	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	151.5	170.3	-73.7	-170.8	175.3	-174.3	0	110.3	I103	K19-I103 HydrophobicContact CB-CG2 4.48Å; K19-I103 WeakPolarHBondContact CE-O 3.23Å; K19-I103 HydrophobicContact CG-CB 4.19Å; K19-I103 HydrophobicContact CG-CG2 3.58Å
20	P	97.5	Very high	83.9	Confident	6 Å²	6	85.4 Å²	85.4	4%	0.039	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	145.3	172.9	-19.8	34.9	0	0	0	109.7	S44 P49 A99 N101 G104 D106	P20-S44 CarbonylContact C-O 3.57Å; P20-S44 VanDerWaalsContact CA-O 3.23Å; P20-S44 WeakPolarHBondContact CA-O 3.3Å; P20-P49 HydrophobicContact CB-CB 3.9Å; P20-P49 HydrophobicContact CB-CG 4.35Å; P20-P49 HydrophobicContact CG-CB 4.02Å; P20-A99 HydrophobicContact CB-CB 3.82Å; P20-A99 WeakPolarHBondContact CB-O 3.2Å; P20-N101 VanDerWaalsContact CD-OD1 3.27Å; P20-N101 WeakPolarHBondContact CD-OD1 3.12Å; P20-N101 HydrophobicContact CG-CB 4.02Å; P20-G104 VanDerWaalsContact CD-C 3.44Å; P20-G104 VanDerWaalsContact CD-O 3.29Å; P20-G104 WeakPolarHBondContact CD-O 3.46Å; P20-G104 VanDerWaalsContact CG-O 3.25Å; P20-G104 WeakPolarHBondContact CG-O 3.39Å; P20-D106 HydrophobicContact CB-CB 4.43Å; P20-D106 WeakPolarHBondContact O-CB 3.37Å
21	K	97.8	Very high	85.8	Confident	104 Å²	104	86.3 Å²	86.3	45%	0.452	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	117.8	170.2	-177.3	72.9	-151.4	140.8	0	108.5	T23 A43 S44 D106	K21-T23 PolarHBondContact O-N 3.15Å; K21-A43 CarbonylContact O-C 3.57Å; K21-A43 VanDerWaalsContact O-CA 3.3Å; K21-A43 WeakPolarHBondContact O-CA 3.34Å; K21-S44 PolarHBondContact N-O 3.22Å; K21-S44 PolarHBondContact O-N 2.91Å; K21-S44 PolarHBondContact O-OG 3.13Å; K21-D106 WeakPolarHBondContact CA-OD2 3.25Å; K21-D106 WeakPolarHBondContact CD-OD2 3.27Å; K21-D106 IonicContact NZ-OD1 2.86Å; K21-D106 IonicContact NZ-OD2 3.11Å; K21-D106 PolarHBondContact NZ-OD2 3.32Å
22	I	98.2	Very high	87.5	Confident	12 Å²	12	82.1 Å²	82.1	6%	0.062	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.4	174.3	-66.1	167.8	0	0	0	107.7	V25 E42 A43 A99 D106 Q108	I22-V25 HydrophobicContact CG2-CG1 3.73Å; I22-E42 CarbonylContact C-O 3.59Å; I22-E42 WeakPolarHBondContact CA-O 3.3Å; I22-A43 HydrophobicContact CG1-CB 4.22Å; I22-A99 HydrophobicContact CD1-CB 4.42Å; I22-A99 HydrophobicContact CG1-CB 3.93Å; I22-D106 WeakPolarHBondContact CD1-O 3.4Å; I22-D106 HydrophobicContact CG1-CB 4.36Å; I22-D106 PolarHBondContact N-OD2 2.92Å; I22-Q108 HydrophobicContact CB-CB 4.4Å; I22-Q108 HydrophobicContact CB-CG 3.86Å; I22-Q108 HydrophobicContact CD1-CB 3.82Å; I22-Q108 HydrophobicContact CD1-CG 3.94Å; I22-Q108 HydrophobicContact CG2-CB 3.99Å; I22-Q108 HydrophobicContact CG2-CG 3.78Å
23	T	97.8	Very high	89	Confident	81 Å²	81	80.7 Å²	80.7	50%	0.497	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-25.4	-174.8	48.5	0	0	0	0	112.3	K21 E42	K21-T23 PolarHBondContact O-N 3.15Å; T23-E42 PolarHBondContact N-O 2.87Å; T23-E42 WeakPolarHBondContact OG1-CG 3.4Å; T23-E42 PolarHBondContact OG1-O 2.81Å
24	Y	97.9	Very high	90.8	Very high	92 Å²	92	77 Å²	77	36%	0.361	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	130.6	-179.9	175.2	-101.6	0	0	0	111.6	E26 T40 C41 E42	Y24-E26 HydrophobicContact CE2-CB 4.24Å; Y24-E26 PolarHBondContact OH-OE2 3.47Å; Y24-T40 HydrophobicContact CD1-CG2 4.24Å; Y24-T40 HydrophobicContact CE1-CG2 4Å; Y24-C41 WeakPolarHBondContact O-CA 3.46Å; Y24-E42 PolarHBondContact N-O 3.29Å; Y24-E42 PolarHBondContact O-N 3.21Å
25	V	97.4	Very high	92.4	Very high	40 Å²	40	76.9 Å²	76.9	24%	0.242	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	147.4	167.3	-72.3	0	0	0	0	107.1	I22 C41 C97 Q108 M110	I22-V25 HydrophobicContact CG2-CG1 3.73Å; V25-C41 HydrophobicContact CG1-CB 4.3Å; V25-C97 VanDerWaalsContact CG1-SG 3.52Å; V25-Q108 HydrophobicContact CG1-CB 3.96Å; V25-Q108 HydrophobicContact CG2-CB 4.1Å; V25-M110 HydrophobicContact CB-CE 3.8Å; V25-M110 HydrophobicContact CG1-CE 3.54Å
26	E	97.1	Very high	94	Very high	99 Å²	99	79.9 Å²	79.9	46%	0.463	42%	0.415	S	S	.	.			trans	-143.1	141	178.7	-163.2	175.1	178	0	0	110.4	Y24	Y24-E26 HydrophobicContact CE2-CB 4.24Å; Y24-E26 PolarHBondContact OH-OE2 3.47Å
27	N	97.5	Very high	95.1	Very high	97 Å²	97	74.1 Å²	74.1	52%	0.519	38%	0.38	S	S	.	.			trans	-68.1	152.3	170	-64.3	-20.9	0	0	0	109.6	Y111	N27-Y111 CarbonylContact C-O 3.46Å; N27-Y111 VanDerWaalsContact CA-O 3.3Å; N27-Y111 WeakPolarHBondContact CA-O 3.25Å; N27-Y111 WeakPolarHBondContact CB-O 3.36Å; N27-Y111 PolarHBondContact OD1-N 3.41Å
28	Q	97.5	Very high	95.5	Very high	57 Å²	57	73.8 Å²	73.8	27%	0.266	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	149	178.2	-66.8	-63.4	-44.4	0	0	110.1	V37 L39 Y111 L112 E113	Q28-V37 HydrophobicContact CB-CG2 4.15Å; Q28-L39 HydrophobicContact CB-CD2 3.92Å; Q28-L39 HydrophobicContact CG-CD2 3.64Å; Q28-Y111 PolarHBondContact N-O 2.84Å; Q28-L112 HydrophobicContact CB-CD1 3.93Å; Q28-L112 WeakPolarHBondContact O-CA 3.46Å; Q28-E113 PolarHBondContact O-N 2.99Å
29	T	96.3	Very high	95.7	Very high	76 Å²	76	71.8 Å²	71.8	47%	0.466	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.5	170.3	-54.9	0	0	0	0	107.4	E113 Q115	T29-E113 CarbonylContact C-O 3.58Å; T29-E113 WeakPolarHBondContact CA-O 3.23Å; T29-E113 HydrophobicContact CG2-CB 4.31Å; T29-E113 HydrophobicContact CG2-CG 4.47Å; T29-Q115 HydrophobicContact CG2-CG 3.85Å
30	A	95.6	Very high	95.8	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.008	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154	176.4	0	0	0	0	0	109.5	E34 V37 I87 L112 E113 V114 Q115	A30-E34 WeakPolarHBondContact CB-OE2 3.27Å; A30-V37 HydrophobicContact CB-CB 4.15Å; A30-V37 HydrophobicContact CB-CG2 4.15Å; A30-I87 HydrophobicContact CB-CG1 4.45Å; A30-I87 HydrophobicContact CB-CG2 4.12Å; A30-L112 HydrophobicContact CB-CD1 4.22Å; A30-E113 PolarHBondContact N-O 2.87Å; A30-V114 CarbonylContact O-C 3.51Å; A30-V114 VanDerWaalsContact O-CA 3.28Å; A30-V114 WeakPolarHBondContact O-CA 3.41Å; A30-Q115 PolarHBondContact O-N 3.15Å
31	M	93.8	Very high	95.8	Very high	113 Å²	113	67 Å²	67	56%	0.557	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	145.1	165.6	-63.3	176.2	29.5	0	0	111.1	L33 E34 Q115	M31-L33 PolarHBondContact O-N 3.06Å; M31-E34 HydrophobicContact CB-CG 3.92Å; M31-E34 VanDerWaalsContact CB-OE1 3.3Å; M31-E34 WeakPolarHBondContact CB-OE1 3.42Å; M31-E34 PolarHBondContact N-OE1 2.93Å; M31-E34 VanDerWaalsContact O-CB 3.27Å; M31-E34 WeakPolarHBondContact O-CB 3.26Å; M31-E34 WeakPolarHBondContact O-CG 3.36Å; M31-E34 PolarHBondContact O-N 2.83Å; M31-E34 VanDerWaalsContact O-N 3.08Å; M31-Q115 CarbonylContact C-O 3.52Å; M31-Q115 VanDerWaalsContact CA-O 3.27Å; M31-Q115 WeakPolarHBondContact CA-O 3.41Å
32	E	90.4	Very high	95.8	Very high	48 Å²	48	65.8 Å²	65.8	22%	0.224	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	138	168.3	-168.7	-177.6	-158.9	0	0	109.4	E34 Y89 V114 Q115 Y116	E32-E34 VanDerWaalsContact C-N 3.26Å; E32-E34 PolarHBondContact O-N 2.6Å; E32-Y89 WeakPolarHBondContact OE1-CD1 3.36Å; E32-V114 HydrophobicContact CB-CG1 4.05Å; E32-Q115 PolarHBondContact N-O 3.4Å; E32-Y116 WeakPolarHBondContact OE2-CB 3.46Å
33	L	88.1	Confident	95.8	Very high	150 Å²	150	65.2 Å²	65.2	79%	0.785	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	7.6	-173.4	-45.5	174.7	0	0	0	115.3	M31 I87	M31-L33 PolarHBondContact O-N 3.06Å; L33-I87 PolarHBondContact N-O 3.18Å
34	E	92.6	Very high	95.7	Very high	68 Å²	68	63.6 Å²	63.6	32%	0.318	32%	0.323	S	S	.	.			trans	-58.7	144.8	163.8	-82.1	178.8	-162.6	0	0	111	A30 M31 E32 Q36 I87	A30-E34 WeakPolarHBondContact CB-OE2 3.27Å; M31-E34 HydrophobicContact CB-CG 3.92Å; M31-E34 VanDerWaalsContact CB-OE1 3.3Å; M31-E34 WeakPolarHBondContact CB-OE1 3.42Å; M31-E34 PolarHBondContact N-OE1 2.93Å; M31-E34 VanDerWaalsContact O-CB 3.27Å; M31-E34 WeakPolarHBondContact O-CB 3.26Å; M31-E34 WeakPolarHBondContact O-CG 3.36Å; M31-E34 PolarHBondContact O-N 2.83Å; M31-E34 VanDerWaalsContact O-N 3.08Å; E32-E34 VanDerWaalsContact C-N 3.26Å; E32-E34 PolarHBondContact O-N 2.6Å; E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 2.93Å; E34-I87 HydrophobicContact CB-CB 4.29Å; E34-I87 HydrophobicContact CB-CG1 3.98Å; E34-I87 PolarHBondContact O-N 2.85Å
35	E	93.1	Very high	95.5	Very high	163 Å²	163	59.7 Å²	59.7	76%	0.762	31%	0.311	S	S	*	.	S	Bend	trans	-64.6	-38.1	-177	-173.9	178.4	177.9	0	0	111.6	K85 S86	E35-K85 CarbonylContact O-C 3.55Å; E35-K85 WeakPolarHBondContact O-CA 3.46Å; E35-S86 PolarHBondContact O-N 3.25Å
36	Q	95.3	Very high	95.3	Very high	102 Å²	102	61.1 Å²	61.1	48%	0.477	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	154.2	177	56.6	177.2	31.9	0	0	112.7	E34 T83 L84	E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 2.93Å; Q36-T83 HydrophobicContact CB-CG2 4.01Å; Q36-L84 CarbonylContact C-O 3.53Å; Q36-L84 WeakPolarHBondContact CA-O 3.35Å; Q36-L84 WeakPolarHBondContact CB-O 3.22Å
37	V	96.5	Very high	95.2	Very high	11 Å²	11	59.1 Å²	59.1	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.6	166.4	76.7	0	0	0	0	108.8	Q28 A30 T83 L84 I87 L112	Q28-V37 HydrophobicContact CB-CG2 4.15Å; A30-V37 HydrophobicContact CB-CB 4.15Å; A30-V37 HydrophobicContact CB-CG2 4.15Å; V37-T83 CarbonylContact O-C 3.58Å; V37-T83 WeakPolarHBondContact O-CA 3.11Å; V37-L84 HydrophobicContact CG1-CB 4.11Å; V37-L84 HydrophobicContact CG1-CD1 3.92Å; V37-L84 PolarHBondContact N-O 2.92Å; V37-L84 PolarHBondContact O-N 2.96Å; V37-I87 HydrophobicContact CB-CD1 3.99Å; V37-I87 HydrophobicContact CB-CG1 4.41Å; V37-I87 HydrophobicContact CG1-CD1 3.54Å; V37-I87 HydrophobicContact CG1-CG1 4.4Å; V37-L112 HydrophobicContact CG1-CD1 3.94Å; V37-L112 HydrophobicContact CG1-CD2 3.86Å; V37-L112 HydrophobicContact CG2-CD1 4.12Å
38	T	96.3	Very high	95	Very high	48 Å²	48	59.1 Å²	59.1	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.2	179.2	-62	0	0	0	0	110.9	L82 T83	T38-L82 WeakPolarHBondContact CA-O 3.06Å; T38-T83 PolarHBondContact OG1-OG1 3.49Å; T38-T83 VanDerWaalsContact OG1-OG1 3.06Å
39	L	96.9	Very high	95	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	137.7	171.2	-59.4	179.5	0	0	0	109.1	Q28 W53 S81 L82 L84 Y95 M110	Q28-L39 HydrophobicContact CB-CD2 3.92Å; Q28-L39 HydrophobicContact CG-CD2 3.64Å; L39-W53 HydrophobicContact CB-CH2 3.87Å; L39-W53 HydrophobicContact CB-CZ3 4.03Å; L39-S81 CarbonylContact O-C 3.56Å; L39-S81 WeakPolarHBondContact O-CA 3.05Å; L39-L82 HydrophobicContact CB-CB 4.29Å; L39-L82 HydrophobicContact CD1-CD2 4.17Å; L39-L82 PolarHBondContact N-O 2.88Å; L39-L82 PolarHBondContact O-N 2.85Å; L39-L84 HydrophobicContact CD1-CD1 4.04Å; L39-L84 HydrophobicContact CG-CD1 4.18Å; L39-Y95 HydrophobicContact CD1-CD1 3.58Å; L39-Y95 HydrophobicContact CD1-CD2 3.69Å; L39-Y95 HydrophobicContact CD1-CE1 4.12Å; L39-Y95 HydrophobicContact CD1-CE2 4.25Å; L39-Y95 HydrophobicContact CD1-CG 3.34Å; L39-M110 HydrophobicContact CB-SD 3.69Å; L39-M110 HydrophobicContact CD1-SD 4.25Å; L39-M110 HydrophobicContact CD2-SD 3.94Å; L39-M110 HydrophobicContact CG-SD 4.17Å
40	T	97.3	Very high	94.9	Very high	46 Å²	46	56.4 Å²	56.4	28%	0.282	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.4	-176.5	-57.3	0	0	0	0	110.7	Y24 V79	Y24-T40 HydrophobicContact CD1-CG2 4.24Å; Y24-T40 HydrophobicContact CE1-CG2 4Å; T40-V79 HydrophobicContact CG2-CG1 4.1Å
41	C	97.6	Very high	94.8	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	130.9	175.5	-178.9	0	0	0	0	109.9	Y24 V25 I51 W53 V79 S80 C97 M110	Y24-C41 WeakPolarHBondContact O-CA 3.46Å; V25-C41 HydrophobicContact CG1-CB 4.3Å; C41-I51 HydrophobicContact CB-CG2 4.43Å; C41-W53 HydrophobicContact CB-CH2 3.7Å; C41-W53 HydrophobicContact CB-CZ2 3.58Å; C41-V79 WeakPolarHBondContact O-CA 3.28Å; C41-S80 PolarHBondContact N-O 2.98Å; C41-S80 PolarHBondContact O-N 2.87Å; C41-C97 HydrophobicContact CB-CB 3.47Å; C41-C97 VanDerWaalsContact CB-CB 3.47Å; C41-C97 WeakPolarHBondContact CB-SG 3.03Å; C41-C97 WeakPolarHBondContact SG-CB 3.06Å; C41-C97 CovalentContact SG-SG 2.05Å; C41-C97 PolarHBondContact SG-SG 2.86Å; C41-M110 HydrophobicContact CB-CE 4.28Å
42	E	98.1	Very high	94.8	Very high	77 Å²	77	53.9 Å²	53.9	36%	0.36	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.8	175.2	-170.9	179.6	177.3	0	0	110.5	I22 T23 Y24 R78 V79	I22-E42 CarbonylContact C-O 3.59Å; I22-E42 WeakPolarHBondContact CA-O 3.3Å; T23-E42 PolarHBondContact N-O 2.87Å; T23-E42 WeakPolarHBondContact OG1-CG 3.4Å; T23-E42 PolarHBondContact OG1-O 2.81Å; Y24-E42 PolarHBondContact N-O 3.29Å; Y24-E42 PolarHBondContact O-N 3.21Å; E42-R78 CarbonylContact C-O 3.59Å; E42-R78 WeakPolarHBondContact CA-O 3.37Å; E42-V79 HydrophobicContact CB-CG2 4.37Å; E42-V79 HydrophobicContact CG-CG2 3.9Å
43	A	97.7	Very high	95	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.6	176.6	0	0	0	0	0	113.3	K21 I22 P49 I51 R78 A99	K21-A43 CarbonylContact O-C 3.57Å; K21-A43 VanDerWaalsContact O-CA 3.3Å; K21-A43 WeakPolarHBondContact O-CA 3.34Å; I22-A43 HydrophobicContact CG1-CB 4.22Å; A43-P49 HydrophobicContact CB-CG 3.85Å; A43-I51 HydrophobicContact CB-CD1 4.08Å; A43-I51 HydrophobicContact CB-CG1 4.36Å; A43-R78 PolarHBondContact N-O 2.88Å; A43-R78 VanDerWaalsContact O-CB 3.23Å; A43-R78 WeakPolarHBondContact O-CB 3.3Å; A43-R78 WeakPolarHBondContact O-CG 3.37Å; A43-A99 HydrophobicContact CB-CB 3.44Å; A43-A99 VanDerWaalsContact CB-CB 3.44Å
44	S	96.3	Very high	95.1	Very high	48 Å²	48	48.9 Å²	48.9	34%	0.336	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	166.3	166.1	67.5	0	0	0	0	110.8	P20 K21	P20-S44 CarbonylContact C-O 3.57Å; P20-S44 VanDerWaalsContact CA-O 3.23Å; P20-S44 WeakPolarHBondContact CA-O 3.3Å; K21-S44 PolarHBondContact N-O 3.22Å; K21-S44 PolarHBondContact O-N 2.91Å; K21-S44 PolarHBondContact O-OG 3.13Å
45	G	94.4	Very high	95	Very high	10 Å²	10	46.5 Å²	46.5	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	154.5	-178	0	0	0	0	0	112	P47 R78	G45-P47 CarbonylContact C-O 3.55Å; G45-P47 VanDerWaalsContact C-O 3.29Å; G45-R78 VanDerWaalsContact N-NH1 3.19Å; G45-R78 PolarHBondContact O-NH1 3.07Å; G45-R78 PolarHBondContact O-NH2 2.78Å
46	D	93.7	Very high	94.2	Very high	69 Å²	69	42.1 Å²	42.1	37%	0.369	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	112.6	175.1	-171.8	43.3	0	0	0	109.9	A17 A18	A17-D46 CarbonylContact C-O 3.29Å; A17-D46 WeakPolarHBondContact CA-O 3.48Å; A18-D46 HydrophobicContact CB-CB 4.38Å; A18-D46 PolarHBondContact N-O 3.49Å; A18-D46 PolarHBondContact O-N 3.33Å; A18-D46 VanDerWaalsContact O-N 3.15Å; A18-D46 VanDerWaalsContact O-O 3.06Å
47	P	94.1	Very high	93.3	Very high	58 Å²	58	43.3 Å²	43.3	38%	0.377	25%	0.253	S	S	.	.	S	Bend	cis	-63.2	161.4	4.2	-23.3	35.7	0	0	0	114.4	G45 N101 T102	G45-P47 CarbonylContact C-O 3.55Å; G45-P47 VanDerWaalsContact C-O 3.29Å; P47-N101 WeakPolarHBondContact O-CB 3.39Å; P47-N101 PolarHBondContact O-ND2 3.36Å; P47-T102 WeakPolarHBondContact CD-OG1 3.29Å
48	I	94.2	Very high	92.4	Very high	97 Å²	97	50.8 Å²	50.8	50%	0.497	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-52.6	124.4	177.5	-61.9	174.2	0	0	0	109.3	R78	I48-R78 HydrophobicContact CG2-CG 4.15Å
49	P	95.7	Very high	91.5	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.013	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-76.3	145.5	-175.8	30.6	-35	0	0	0	112.3	P20 A43 A99 S100 N101	P20-P49 HydrophobicContact CB-CB 3.9Å; P20-P49 HydrophobicContact CB-CG 4.35Å; P20-P49 HydrophobicContact CG-CB 4.02Å; A43-P49 HydrophobicContact CB-CG 3.85Å; P49-A99 HydrophobicContact CB-CB 4.12Å; P49-A99 HydrophobicContact CG-CB 4.44Å; P49-S100 CarbonylContact C-O 3.54Å; P49-S100 VanDerWaalsContact CA-O 3.25Å; P49-S100 WeakPolarHBondContact CA-O 3.47Å; P49-N101 HydrophobicContact CB-CB 4.35Å
50	S	94.6	Very high	90.7	Very high	73 Å²	73	54.8 Å²	54.8	51%	0.51	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	134.2	163.5	59.8	0	0	0	0	109.7	A99 S100	S50-A99 CarbonylContact O-C 3.51Å; S50-A99 WeakPolarHBondContact O-CA 3.45Å; S50-S100 PolarHBondContact N-O 3.26Å; S50-S100 PolarHBondContact O-N 2.83Å; S50-S100 PolarHBondContact OG-O 2.79Å
51	I	95	Very high	89.1	Confident	9 Å²	9	55 Å²	55	5%	0.046	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.9	177.7	-59.1	170.7	0	0	0	109.7	C41 A43 R78 C97 T98 A99	C41-I51 HydrophobicContact CB-CG2 4.43Å; A43-I51 HydrophobicContact CB-CD1 4.08Å; A43-I51 HydrophobicContact CB-CG1 4.36Å; I51-R78 WeakPolarHBondContact CD1-O 3.39Å; I51-C97 HydrophobicContact CG2-CB 4.18Å; I51-T98 WeakPolarHBondContact CA-O 3.36Å; I51-A99 HydrophobicContact CG1-CB 4.24Å
52	T	93.5	Very high	87.2	Confident	52 Å²	52	57.9 Å²	57.9	32%	0.319	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	157	173.9	60.1	0	0	0	0	110.9	C97 T98	T52-C97 CarbonylContact O-C 3.53Å; T52-C97 WeakPolarHBondContact O-CA 3.44Å; T52-T98 PolarHBondContact N-O 2.9Å; T52-T98 PolarHBondContact O-N 2.68Å; T52-T98 PolarHBondContact OG1-O 2.86Å
53	W	93.8	Very high	85.2	Confident	5 Å²	5	62.8 Å²	62.8	2%	0.019	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	148	-178.2	-68.8	91	0	0	0	110.7	L39 C41 I60 S80 L82 C97 M110	L39-W53 HydrophobicContact CB-CH2 3.87Å; L39-W53 HydrophobicContact CB-CZ3 4.03Å; C41-W53 HydrophobicContact CB-CH2 3.7Å; C41-W53 HydrophobicContact CB-CZ2 3.58Å; W53-I60 HydrophobicContact CB-CB 4.13Å; W53-I60 HydrophobicContact CB-CD1 4.21Å; W53-I60 CarbonylContact O-C 3.49Å; W53-I60 WeakPolarHBondContact O-CB 3.39Å; W53-I60 PolarHBondContact O-N 3.38Å; W53-S80 PolarHBondContact NE1-OG 2.98Å; W53-L82 HydrophobicContact CB-CD2 4.22Å; W53-L82 HydrophobicContact CD2-CB 3.81Å; W53-L82 HydrophobicContact CD2-CD2 4.01Å; W53-L82 HydrophobicContact CE3-CB 4.17Å; W53-L82 HydrophobicContact CE3-CD2 3.86Å; W53-L82 HydrophobicContact CG-CB 4.15Å; W53-L82 HydrophobicContact CG-CD2 4.18Å; W53-L82 HydrophobicContact CH2-CB 4.44Å; W53-L82 HydrophobicContact CZ2-CB 4.14Å; W53-L82 HydrophobicContact CZ3-CB 4.46Å; W53-C97 HydrophobicContact CD2-CB 4.18Å; W53-C97 HydrophobicContact CE3-CB 3.97Å; W53-C97 HydrophobicContact CH2-CB 4.1Å; W53-C97 HydrophobicContact CZ2-CB 4.26Å; W53-C97 HydrophobicContact CZ3-CB 3.94Å; W53-M110 HydrophobicContact CH2-CE 3.41Å; W53-M110 VanDerWaalsContact CH2-CE 3.41Å; W53-M110 HydrophobicContact CH2-SD 3.83Å; W53-M110 HydrophobicContact CZ3-CE 3.47Å; W53-M110 VanDerWaalsContact CZ3-CE 3.47Å; W53-M110 HydrophobicContact CZ3-SD 3.7Å
54	R	91.4	Very high	83	Confident	88 Å²	88	66.7 Å²	66.7	33%	0.332	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	150	167.6	65.5	-175.1	-176.6	92	-2.5	109.6	R58 I96	R54-R58 CarbonylContact C-O 3.51Å; R54-R58 WeakPolarHBondContact CA-O 3.27Å; R54-R58 WeakPolarHBondContact CB-O 3.35Å; R54-I96 HydrophobicContact CG-CB 3.8Å; R54-I96 HydrophobicContact CG-CG2 4.36Å; R54-I96 PolarHBondContact N-O 3.06Å; R54-I96 VanDerWaalsContact NH2-CD1 3.3Å; R54-I96 PolarHBondContact O-N 2.76Å
55	T	89.2	Confident	81.1	Confident	19 Å²	19	71.2 Å²	71.2	12%	0.117	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	168.6	159.7	69.8	0	0	0	0	108.9	T57 R58 I60 Y95	T55-T57 PolarHBondContact O-N 2.85Å; T55-T57 VanDerWaalsContact O-N 3.13Å; T55-T57 PolarHBondContact OG1-N 3.11Å; T55-T57 PolarHBondContact OG1-OG1 3.23Å; T55-R58 PolarHBondContact N-O 2.79Å; T55-R58 PolarHBondContact OG1-N 2.72Å; T55-R58 PolarHBondContact OG1-O 3.02Å; T55-I60 HydrophobicContact CG2-CD1 3.95Å; T55-I60 HydrophobicContact CG2-CG1 4.42Å; T55-Y95 HydrophobicContact CG2-CD1 4.12Å; T55-Y95 HydrophobicContact CG2-CE1 3.82Å
56	S	77.7	Confident	79.6	Confident	70 Å²	70	71.5 Å²	71.5	49%	0.49	38%	0.378	S	S	.	.	S	Bend	trans	-56.9	-23.6	171.5	59.9	0	0	0	0	113.1	E94	S56-E94 PolarHBondContact N-O 2.82Å
57	T	75.1	Confident	77.9	Confident	127 Å²	127	76.7 Å²	76.7	78%	0.779	40%	0.404	S	S	*	.	S	Bend	trans	-108.8	-19.3	-174	57.6	0	0	0	0	114.7	T55	T55-T57 PolarHBondContact O-N 2.85Å; T55-T57 VanDerWaalsContact O-N 3.13Å; T55-T57 PolarHBondContact OG1-N 3.11Å; T55-T57 PolarHBondContact OG1-OG1 3.23Å
58	R	78.1	Confident	76.9	Confident	168 Å²	168	79.8 Å²	79.8	63%	0.634	42%	0.418	S	S	*	.			trans	-150	141	-170.7	159	-179.3	-106.7	-175	-4.6	111.6	R54 T55	R54-R58 CarbonylContact C-O 3.51Å; R54-R58 WeakPolarHBondContact CA-O 3.27Å; R54-R58 WeakPolarHBondContact CB-O 3.35Å; T55-R58 PolarHBondContact N-O 2.79Å; T55-R58 PolarHBondContact OG1-N 2.72Å; T55-R58 PolarHBondContact OG1-O 3.02Å
59	N	77.9	Confident	76.3	Confident	127 Å²	127	75.5 Å²	75.5	68%	0.679	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	135.8	166.8	-66.6	-47	0	0	0	110.6
60	I	79.1	Confident	76	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.031	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	107.4	173.3	-56.4	167.6	0	0	0	105.6	W53 T55 M71 V73 L82 Y95	W53-I60 HydrophobicContact CB-CB 4.13Å; W53-I60 HydrophobicContact CB-CD1 4.21Å; W53-I60 CarbonylContact O-C 3.49Å; W53-I60 WeakPolarHBondContact O-CB 3.39Å; W53-I60 PolarHBondContact O-N 3.38Å; T55-I60 HydrophobicContact CG2-CD1 3.95Å; T55-I60 HydrophobicContact CG2-CG1 4.42Å; I60-M71 HydrophobicContact CD1-SD 3.85Å; I60-M71 HydrophobicContact CG1-SD 4.2Å; I60-V73 HydrophobicContact CG2-CG2 3.97Å; I60-L82 HydrophobicContact CD1-CD1 4.44Å; I60-L82 HydrophobicContact CD1-CD2 3.64Å; I60-L82 HydrophobicContact CG2-CD1 4.41Å; I60-Y95 HydrophobicContact CD1-CD1 4.43Å
61	S	64.9	Low	75.8	Confident	51 Å²	51	74.1 Å²	74.1	36%	0.357	38%	0.383	S	S	.	.			trans	-66.2	144.2	-176.7	73.4	0	0	0	0	110.5	E63 E64	S61-E63 PolarHBondContact O-N 3.41Å; S61-E64 WeakPolarHBondContact CB-OE2 3.45Å; S61-E64 PolarHBondContact O-N 2.89Å; S61-E64 VanDerWaalsContact O-N 3.17Å; S61-E64 WeakPolarHBondContact OG-CB 3.09Å; S61-E64 WeakPolarHBondContact OG-CG 3.27Å; S61-E64 PolarHBondContact OG-N 2.91Å; S61-E64 PolarHBondContact OG-OE2 3.47Å
62	S	56.8	Low	75.6	Confident	59 Å²	59	74.8 Å²	74.8	41%	0.413	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	0.3	-171.9	50.4	0	0	0	0	114.8
63	E	55.3	Low	75.5	Confident	180 Å²	180	73.3 Å²	73.3	84%	0.841	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.8	-6.9	-176.9	-58.9	-179.1	-178.5	0	0	112.2	S61 K65	S61-E63 PolarHBondContact O-N 3.41Å; E63-K65 PolarHBondContact O-N 3.08Å
64	E	52.7	Low	75.4	Confident	82 Å²	82	80.1 Å²	80.1	38%	0.383	40%	0.404	S	S	.	.			trans	-79.5	107.3	173.6	-90.4	173.3	135.5	0	0	109.5	S61 T66	S61-E64 WeakPolarHBondContact CB-OE2 3.45Å; S61-E64 PolarHBondContact O-N 2.89Å; S61-E64 VanDerWaalsContact O-N 3.17Å; S61-E64 WeakPolarHBondContact OG-CB 3.09Å; S61-E64 WeakPolarHBondContact OG-CG 3.27Å; S61-E64 PolarHBondContact OG-N 2.91Å; S61-E64 PolarHBondContact OG-OE2 3.47Å; E64-T66 PolarHBondContact O-N 3.48Å
65	K	56.4	Low	75.4	Confident	144 Å²	144	79.2 Å²	79.2	63%	0.626	41%	0.411	S	S	*	.				-50	116	122.8	-173.6	175.8	179.9	-171.1	0	105.5	E63 G69 M71	E63-K65 PolarHBondContact O-N 3.08Å; K65-G69 VanDerWaalsContact CG-CA 3.49Å; K65-M71 WeakPolarHBondContact CA-O 3.48Å
66	T	63.3	Low	75.3	Confident	16 Å²	16	85.8 Å²	85.8	10%	0.098	44%	0.44	C	S	.	.			trans	-50	152.8	172.8	44.9	0	0	0	0	108.6	E64 D68 G69 H70 M71	E64-T66 PolarHBondContact O-N 3.48Å; T66-D68 WeakPolarHBondContact CB-OD1 3.29Å; T66-D68 PolarHBondContact O-N 2.62Å; T66-D68 PolarHBondContact OG1-OD1 2.85Å; T66-G69 WeakPolarHBondContact O-CA 3.44Å; T66-G69 PolarHBondContact O-N 2.97Å; T66-H70 PolarHBondContact OG1-N 3.16Å; T66-H70 VanDerWaalsContact OG1-N 3.16Å; T66-M71 HydrophobicContact CG2-CB 3.76Å; T66-M71 HydrophobicContact CG2-CG 4.16Å; T66-M71 HydrophobicContact CG2-SD 4.2Å; T66-M71 PolarHBondContact N-O 2.77Å; T66-M71 PolarHBondContact OG1-N 2.88Å
67	L	58	Low	75.8	Confident	178 Å²	178	85.4 Å²	85.4	93%	0.932	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-29.2	-174.1	-70.2	166.7	0	0	0	113.6
68	D	72.2	Confident	76.7	Confident	122 Å²	122	83.6 Å²	83.6	65%	0.652	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-14.2	176.1	55.1	7.6	0	0	0	115	T66 H70	T66-D68 WeakPolarHBondContact CB-OD1 3.29Å; T66-D68 PolarHBondContact O-N 2.62Å; T66-D68 PolarHBondContact OG1-OD1 2.85Å; D68-H70 VanDerWaalsContact C-N 3.3Å; D68-H70 VanDerWaalsContact OD1-CB 3.27Å; D68-H70 WeakPolarHBondContact OD1-CB 3.41Å; D68-H70 PolarHBondContact OD1-N 2.55Å
69	G	80.9	Confident	77.5	Confident	8 Å²	8	78.4 Å²	78.4	8%	0.082	41%	0.407	C	S	.	.	S	Bend	trans	78.6	11.6	-175.4	0	0	0	0	0	115.7	K65 T66	K65-G69 VanDerWaalsContact CG-CA 3.49Å; T66-G69 WeakPolarHBondContact O-CA 3.44Å; T66-G69 PolarHBondContact O-N 2.97Å
70	H	89.3	Confident	78.4	Confident	24 Å²	24	72.4 Å²	72.4	11%	0.111	38%	0.375	C	S	.	.			trans	-62.7	-43.9	178.9	-171.7	61.5	0	0	0	112.3	T66 D68 L84 K85 D91	T66-H70 PolarHBondContact OG1-N 3.16Å; T66-H70 VanDerWaalsContact OG1-N 3.16Å; D68-H70 VanDerWaalsContact C-N 3.3Å; D68-H70 VanDerWaalsContact OD1-CB 3.27Å; D68-H70 WeakPolarHBondContact OD1-CB 3.41Å; D68-H70 PolarHBondContact OD1-N 2.55Å; H70-L84 CarbonylContact O-C 3.54Å; H70-L84 WeakPolarHBondContact O-CA 3.4Å; H70-K85 PolarHBondContact CE1-O 3.17Å; H70-K85 PolarHBondContact ND1-O 3.38Å; H70-K85 PolarHBondContact O-N 2.92Å; H70-D91 IonicContact CD2-OD1 3.79Å; H70-D91 IonicContact CE1-OD1 3.7Å; H70-D91 IonicContact CE1-OD2 2.72Å; H70-D91 PolarHBondContact CE1-OD2 3.48Å; H70-D91 VanDerWaalsContact CE1-OD2 3.23Å; H70-D91 IonicContact NE2-OD1 3.61Å; H70-D91 PolarHBondContact NE2-OD1 2.85Å; H70-D91 IonicContact NE2-OD2 3.23Å; H70-D91 PolarHBondContact NE2-OD2 2.89Å; H70-D91 VanDerWaalsContact NE2-OD2 3.11Å
71	M	90.3	Very high	79.1	Confident	22 Å²	22	73.4 Å²	73.4	11%	0.108	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	135.6	-179.6	-60.8	179.2	179.7	0	0	110.8	I60 K65 T66 L82 T83 L84 Y95	I60-M71 HydrophobicContact CD1-SD 3.85Å; I60-M71 HydrophobicContact CG1-SD 4.2Å; K65-M71 WeakPolarHBondContact CA-O 3.48Å; T66-M71 HydrophobicContact CG2-CB 3.76Å; T66-M71 HydrophobicContact CG2-CG 4.16Å; T66-M71 HydrophobicContact CG2-SD 4.2Å; T66-M71 PolarHBondContact N-O 2.77Å; T66-M71 PolarHBondContact OG1-N 2.88Å; M71-L82 HydrophobicContact CB-CD1 3.99Å; M71-T83 CarbonylContact C-O 3.58Å; M71-T83 WeakPolarHBondContact CA-O 3.42Å; M71-L84 HydrophobicContact CE-CD2 4.04Å; M71-L84 HydrophobicContact CG-CG 4.3Å; M71-Y95 HydrophobicContact CE-CE1 4.43Å
72	V	90.9	Very high	80.6	Confident	22 Å²	22	71 Å²	71	13%	0.133	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	117.1	179.6	-177.6	0	0	0	0	110	T83	V72-T83 PolarHBondContact N-O 2.84Å; V72-T83 PolarHBondContact O-N 2.88Å
73	V	92.1	Very high	82.4	Confident	21 Å²	21	68.5 Å²	68.5	13%	0.127	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	135	174.7	-180	0	0	0	0	110.3	I60 S81 L82	I60-V73 HydrophobicContact CG2-CG2 3.97Å; V73-S81 CarbonylContact C-O 3.5Å; V73-S81 WeakPolarHBondContact CA-O 3.34Å; V73-L82 HydrophobicContact CG2-CD1 3.86Å
74	R	91.8	Very high	84.2	Confident	148 Å²	148	60 Å²	60	56%	0.558	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	120.7	169.3	-67.7	-172.9	174.7	89.3	-2.6	109.6	S80 S81	R74-S80 CarbonylContact O-C 3.53Å; R74-S80 WeakPolarHBondContact O-CA 3.49Å; R74-S81 PolarHBondContact N-O 2.95Å; R74-S81 PolarHBondContact O-N 2.91Å
75	S	90.8	Very high	86.2	Confident	69 Å²	69	60.1 Å²	60.1	48%	0.483	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.4	-179.2	-62.2	0	0	0	0	110.5	S80	S75-S80 WeakPolarHBondContact OG-CB 3.19Å; S75-S80 PolarHBondContact OG-OG 2.79Å
76	H	87.9	Confident	87.9	Confident	157 Å²	157	57.1 Å²	57.1	73%	0.727	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	111.2	175.9	-172.9	73.5	0	0	0	110.6	R78 V79	H76-R78 PolarHBondContact O-N 2.7Å; H76-V79 CarbonylContact C-O 3.59Å; H76-V79 PolarHBondContact N-O 2.92Å; H76-V79 PolarHBondContact O-N 2.88Å; H76-V79 VanDerWaalsContact O-O 3.13Å
77	A	87.4	Confident	89.4	Confident	63 Å²	63	56.3 Å²	56.3	52%	0.521	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	-104.4	-178.1	0	0	0	0	0	112.6
78	R	93.8	Very high	91	Very high	88 Å²	88	52.3 Å²	52.3	33%	0.332	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-6.1	-175.2	-67.6	-176.6	-172.1	-73.7	1	114	E42 A43 G45 I48 I51 H76	E42-R78 CarbonylContact C-O 3.59Å; E42-R78 WeakPolarHBondContact CA-O 3.37Å; A43-R78 PolarHBondContact N-O 2.88Å; A43-R78 VanDerWaalsContact O-CB 3.23Å; A43-R78 WeakPolarHBondContact O-CB 3.3Å; A43-R78 WeakPolarHBondContact O-CG 3.37Å; G45-R78 VanDerWaalsContact N-NH1 3.19Å; G45-R78 PolarHBondContact O-NH1 3.07Å; G45-R78 PolarHBondContact O-NH2 2.78Å; I48-R78 HydrophobicContact CG2-CG 4.15Å; I51-R78 WeakPolarHBondContact CD1-O 3.39Å; H76-R78 PolarHBondContact O-N 2.7Å
79	V	95.9	Very high	91.8	Very high	59 Å²	59	53.6 Å²	53.6	36%	0.358	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.4	-174.3	-177.1	0	0	0	0	109.3	T40 C41 E42 H76	T40-V79 HydrophobicContact CG2-CG1 4.1Å; C41-V79 WeakPolarHBondContact O-CA 3.28Å; E42-V79 HydrophobicContact CB-CG2 4.37Å; E42-V79 HydrophobicContact CG-CG2 3.9Å; H76-V79 CarbonylContact C-O 3.59Å; H76-V79 PolarHBondContact N-O 2.92Å; H76-V79 PolarHBondContact O-N 2.88Å; H76-V79 VanDerWaalsContact O-O 3.13Å
80	S	95.8	Very high	92.2	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	140.8	170	-174.3	0	0	0	0	110.1	C41 W53 R74 S75	C41-S80 PolarHBondContact N-O 2.98Å; C41-S80 PolarHBondContact O-N 2.87Å; W53-S80 PolarHBondContact NE1-OG 2.98Å; R74-S80 CarbonylContact O-C 3.53Å; R74-S80 WeakPolarHBondContact O-CA 3.49Å; S75-S80 WeakPolarHBondContact OG-CB 3.19Å; S75-S80 PolarHBondContact OG-OG 2.79Å
81	S	95.5	Very high	92.3	Very high	27 Å²	27	56.4 Å²	56.4	19%	0.189	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	140.9	174.6	60	0	0	0	0	111.5	L39 V73 R74	L39-S81 CarbonylContact O-C 3.56Å; L39-S81 WeakPolarHBondContact O-CA 3.05Å; V73-S81 CarbonylContact C-O 3.5Å; V73-S81 WeakPolarHBondContact CA-O 3.34Å; R74-S81 PolarHBondContact N-O 2.95Å; R74-S81 PolarHBondContact O-N 2.91Å
82	L	94.9	Very high	92.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	108.2	174.1	168.8	63.2	0	0	0	107.8	T38 L39 W53 I60 M71 V73 L84 Y95	T38-L82 WeakPolarHBondContact CA-O 3.06Å; L39-L82 HydrophobicContact CB-CB 4.29Å; L39-L82 HydrophobicContact CD1-CD2 4.17Å; L39-L82 PolarHBondContact N-O 2.88Å; L39-L82 PolarHBondContact O-N 2.85Å; W53-L82 HydrophobicContact CB-CD2 4.22Å; W53-L82 HydrophobicContact CD2-CB 3.81Å; W53-L82 HydrophobicContact CD2-CD2 4.01Å; W53-L82 HydrophobicContact CE3-CB 4.17Å; W53-L82 HydrophobicContact CE3-CD2 3.86Å; W53-L82 HydrophobicContact CG-CB 4.15Å; W53-L82 HydrophobicContact CG-CD2 4.18Å; W53-L82 HydrophobicContact CH2-CB 4.44Å; W53-L82 HydrophobicContact CZ2-CB 4.14Å; W53-L82 HydrophobicContact CZ3-CB 4.46Å; I60-L82 HydrophobicContact CD1-CD1 4.44Å; I60-L82 HydrophobicContact CD1-CD2 3.64Å; I60-L82 HydrophobicContact CG2-CD1 4.41Å; M71-L82 HydrophobicContact CB-CD1 3.99Å; V73-L82 HydrophobicContact CG2-CD1 3.86Å; L82-L84 HydrophobicContact CG-CD1 4.22Å; L82-Y95 HydrophobicContact CD2-CD1 3.7Å; L82-Y95 HydrophobicContact CD2-CE1 4.09Å
83	T	95	Very high	92.6	Very high	8 Å²	8	58.1 Å²	58.1	5%	0.049	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123	176.6	-56.6	0	0	0	0	109.6	Q36 V37 T38 M71 V72	Q36-T83 HydrophobicContact CB-CG2 4.01Å; V37-T83 CarbonylContact O-C 3.58Å; V37-T83 WeakPolarHBondContact O-CA 3.11Å; T38-T83 PolarHBondContact OG1-OG1 3.49Å; T38-T83 VanDerWaalsContact OG1-OG1 3.06Å; M71-T83 CarbonylContact C-O 3.58Å; M71-T83 WeakPolarHBondContact CA-O 3.42Å; V72-T83 PolarHBondContact N-O 2.84Å; V72-T83 PolarHBondContact O-N 2.88Å
84	L	94.2	Very high	92.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	136.5	167.6	-58.1	85.9	0	0	0	108.4	Q36 V37 L39 H70 M71 L82 I87 D91 Y95 L112	Q36-L84 CarbonylContact C-O 3.53Å; Q36-L84 WeakPolarHBondContact CA-O 3.35Å; Q36-L84 WeakPolarHBondContact CB-O 3.22Å; V37-L84 HydrophobicContact CG1-CB 4.11Å; V37-L84 HydrophobicContact CG1-CD1 3.92Å; V37-L84 PolarHBondContact N-O 2.92Å; V37-L84 PolarHBondContact O-N 2.96Å; L39-L84 HydrophobicContact CD1-CD1 4.04Å; L39-L84 HydrophobicContact CG-CD1 4.18Å; H70-L84 CarbonylContact O-C 3.54Å; H70-L84 WeakPolarHBondContact O-CA 3.4Å; M71-L84 HydrophobicContact CE-CD2 4.04Å; M71-L84 HydrophobicContact CG-CG 4.3Å; L82-L84 HydrophobicContact CG-CD1 4.22Å; L84-I87 HydrophobicContact CB-CD1 3.73Å; L84-D91 HydrophobicContact CD2-CB 3.97Å; L84-Y95 HydrophobicContact CD2-CE1 4.17Å; L84-Y95 VanDerWaalsContact CD2-OH 3.26Å; L84-Y95 WeakPolarHBondContact CD2-OH 3.35Å; L84-L112 HydrophobicContact CD1-CD2 4.42Å; L84-L112 HydrophobicContact CD2-CD2 4.11Å
85	K	93.4	Very high	93	Very high	86 Å²	86	52.9 Å²	52.9	37%	0.374	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.4	179.3	-64.3	-174.2	175.5	-167.9	0	110.5	E35 H70	E35-K85 CarbonylContact O-C 3.55Å; E35-K85 WeakPolarHBondContact O-CA 3.46Å; H70-K85 PolarHBondContact CE1-O 3.17Å; H70-K85 PolarHBondContact ND1-O 3.38Å; H70-K85 PolarHBondContact O-N 2.92Å
86	S	92.8	Very high	93.2	Very high	80 Å²	80	50.1 Å²	50.1	56%	0.559	27%	0.273	S	S	*	.	S	Bend	trans	51	66.4	176.5	-57.9	0	0	0	0	111.8	E35 Q88	E35-S86 PolarHBondContact O-N 3.25Å; S86-Q88 WeakPolarHBondContact O-CG 3.38Å; S86-Q88 PolarHBondContact O-N 3.2Å
87	I	94.1	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.239	C	C	.	.			trans	-59.1	128.6	-169.1	-57.1	-54.4	0	0	0	111.7	A30 L33 E34 V37 L84 V114	A30-I87 HydrophobicContact CB-CG1 4.45Å; A30-I87 HydrophobicContact CB-CG2 4.12Å; L33-I87 PolarHBondContact N-O 3.18Å; E34-I87 HydrophobicContact CB-CB 4.29Å; E34-I87 HydrophobicContact CB-CG1 3.98Å; E34-I87 PolarHBondContact O-N 2.85Å; V37-I87 HydrophobicContact CB-CD1 3.99Å; V37-I87 HydrophobicContact CB-CG1 4.41Å; V37-I87 HydrophobicContact CG1-CD1 3.54Å; V37-I87 HydrophobicContact CG1-CG1 4.4Å; L84-I87 HydrophobicContact CB-CD1 3.73Å; I87-V114 HydrophobicContact CG2-CG1 3.87Å; I87-V114 HydrophobicContact CG2-CG2 3.84Å
88	Q	91.8	Very high	94	Very high	93 Å²	93	40 Å²	40	44%	0.435	22%	0.216	S	C	.	.			trans	-117.2	155.6	177.3	-62.8	178.3	53.4	0	0	110.4	S86 T90 D91	S86-Q88 WeakPolarHBondContact O-CG 3.38Å; S86-Q88 PolarHBondContact O-N 3.2Å; Q88-T90 PolarHBondContact O-N 2.82Å; Q88-D91 PolarHBondContact N-OD2 2.05Å; Q88-D91 VanDerWaalsContact O-CB 3.3Å; Q88-D91 WeakPolarHBondContact O-CB 3.44Å; Q88-D91 PolarHBondContact O-N 2.92Å
89	Y	89.9	Confident	94.2	Very high	149 Å²	149	35.9 Å²	35.9	58%	0.584	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-56.2	-26.2	175.2	72.4	-86.4	0	0	0	113.2	E32 D91 A92	E32-Y89 WeakPolarHBondContact OE1-CD1 3.36Å; Y89-D91 PolarHBondContact O-N 3.02Å; Y89-A92 PolarHBondContact O-N 2.87Å
90	T	89.1	Confident	94.2	Very high	82 Å²	82	35 Å²	35	50%	0.503	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-73.5	-12.5	177.1	52.6	0	0	0	0	114.1	Q88 A92	Q88-T90 PolarHBondContact O-N 2.82Å; T90-A92 VanDerWaalsContact C-N 3.29Å
91	D	91.7	Very high	94.2	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.053	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-79.3	-16.6	177.6	-63	-33.4	0	0	0	112.4	H70 L84 Q88 Y89 G93 Y95 L112 V114	H70-D91 IonicContact CD2-OD1 3.79Å; H70-D91 IonicContact CE1-OD1 3.7Å; H70-D91 IonicContact CE1-OD2 2.72Å; H70-D91 PolarHBondContact CE1-OD2 3.48Å; H70-D91 VanDerWaalsContact CE1-OD2 3.23Å; H70-D91 IonicContact NE2-OD1 3.61Å; H70-D91 PolarHBondContact NE2-OD1 2.85Å; H70-D91 IonicContact NE2-OD2 3.23Å; H70-D91 PolarHBondContact NE2-OD2 2.89Å; H70-D91 VanDerWaalsContact NE2-OD2 3.11Å; L84-D91 HydrophobicContact CD2-CB 3.97Å; Q88-D91 PolarHBondContact N-OD2 2.05Å; Q88-D91 VanDerWaalsContact O-CB 3.3Å; Q88-D91 WeakPolarHBondContact O-CB 3.44Å; Q88-D91 PolarHBondContact O-N 2.92Å; Y89-D91 PolarHBondContact O-N 3.02Å; D91-G93 PolarHBondContact O-N 3.18Å; D91-Y95 WeakPolarHBondContact O-CE2 3.44Å; D91-Y95 PolarHBondContact O-OH 2.84Å; D91-L112 HydrophobicContact CB-CD2 4.24Å; D91-V114 HydrophobicContact CB-CG2 4.45Å
92	A	93.5	Very high	94.2	Very high	48 Å²	48	40.6 Å²	40.6	40%	0.397	23%	0.23	S	C	.	.			trans	-61.3	136.4	177.1	0	0	0	0	0	111	Y89 T90 L112 V114	Y89-A92 PolarHBondContact O-N 2.87Å; T90-A92 VanDerWaalsContact C-N 3.29Å; A92-L112 VanDerWaalsContact CA-O 3.27Å; A92-L112 WeakPolarHBondContact CA-O 3.39Å; A92-V114 HydrophobicContact CB-CB 4.08Å; A92-V114 HydrophobicContact CB-CG2 3.9Å
93	G	94.2	Very high	94.2	Very high	32 Å²	32	43.8 Å²	43.8	33%	0.33	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	151.7	-166.1	177.7	0	0	0	0	0	114.7	D91 Y111 L112	D91-G93 PolarHBondContact O-N 3.18Å; G93-Y111 WeakPolarHBondContact O-CA 3.38Å; G93-L112 PolarHBondContact N-O 2.83Å; G93-L112 PolarHBondContact O-N 2.81Å
94	E	95.9	Very high	94.3	Very high	51 Å²	51	44.4 Å²	44.4	24%	0.238	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	126.8	-179.5	-171.5	-175.7	-159.9	0	0	111.1	S56 I96 S109 Y111	S56-E94 PolarHBondContact N-O 2.82Å; E94-I96 HydrophobicContact CG-CD1 4.38Å; E94-I96 HydrophobicContact CG-CG1 4.05Å; E94-S109 WeakPolarHBondContact OE1-CB 3.47Å; E94-S109 PolarHBondContact OE1-OG 2.95Å; E94-Y111 HydrophobicContact CB-CD1 4.07Å; E94-Y111 HydrophobicContact CB-CE1 3.75Å; E94-Y111 HydrophobicContact CG-CD1 4.4Å; E94-Y111 HydrophobicContact CG-CE1 3.89Å
95	Y	95.4	Very high	94.4	Very high	8 Å²	8	50.1 Å²	50.1	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.6	173.3	-67.7	-98.1	0	0	0	108.9	L39 T55 I60 M71 L82 L84 D91 S109 M110 L112	L39-Y95 HydrophobicContact CD1-CD1 3.58Å; L39-Y95 HydrophobicContact CD1-CD2 3.69Å; L39-Y95 HydrophobicContact CD1-CE1 4.12Å; L39-Y95 HydrophobicContact CD1-CE2 4.25Å; L39-Y95 HydrophobicContact CD1-CG 3.34Å; T55-Y95 HydrophobicContact CG2-CD1 4.12Å; T55-Y95 HydrophobicContact CG2-CE1 3.82Å; I60-Y95 HydrophobicContact CD1-CD1 4.43Å; M71-Y95 HydrophobicContact CE-CE1 4.43Å; L82-Y95 HydrophobicContact CD2-CD1 3.7Å; L82-Y95 HydrophobicContact CD2-CE1 4.09Å; L84-Y95 HydrophobicContact CD2-CE1 4.17Å; L84-Y95 VanDerWaalsContact CD2-OH 3.26Å; L84-Y95 WeakPolarHBondContact CD2-OH 3.35Å; D91-Y95 WeakPolarHBondContact O-CE2 3.44Å; D91-Y95 PolarHBondContact O-OH 2.84Å; Y95-S109 CarbonylContact O-C 3.54Å; Y95-S109 WeakPolarHBondContact O-CA 3.5Å; Y95-M110 PolarHBondContact N-O 2.82Å; Y95-M110 PolarHBondContact O-N 2.86Å; Y95-L112 HydrophobicContact CD2-CB 3.99Å; Y95-L112 HydrophobicContact CE2-CB 3.68Å; Y95-L112 HydrophobicContact CE2-CD2 4.06Å
96	I	95.9	Very high	94.7	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	117.4	-174	-56.3	173.9	0	0	0	107.7	R54 E94 Q108	R54-I96 HydrophobicContact CG-CB 3.8Å; R54-I96 HydrophobicContact CG-CG2 4.36Å; R54-I96 PolarHBondContact N-O 3.06Å; R54-I96 VanDerWaalsContact NH2-CD1 3.3Å; R54-I96 PolarHBondContact O-N 2.76Å; E94-I96 HydrophobicContact CG-CD1 4.38Å; E94-I96 HydrophobicContact CG-CG1 4.05Å; I96-Q108 WeakPolarHBondContact CA-O 3.34Å
97	C	95.8	Very high	94.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	142.5	168.7	71.6	0	0	0	0	109.9	V25 C41 I51 T52 W53 S107 Q108	V25-C97 VanDerWaalsContact CG1-SG 3.52Å; C41-C97 HydrophobicContact CB-CB 3.47Å; C41-C97 VanDerWaalsContact CB-CB 3.47Å; C41-C97 WeakPolarHBondContact CB-SG 3.03Å; C41-C97 WeakPolarHBondContact SG-CB 3.06Å; C41-C97 CovalentContact SG-SG 2.05Å; C41-C97 PolarHBondContact SG-SG 2.86Å; I51-C97 HydrophobicContact CG2-CB 4.18Å; T52-C97 CarbonylContact O-C 3.53Å; T52-C97 WeakPolarHBondContact O-CA 3.44Å; W53-C97 HydrophobicContact CD2-CB 4.18Å; W53-C97 HydrophobicContact CE3-CB 3.97Å; W53-C97 HydrophobicContact CH2-CB 4.1Å; W53-C97 HydrophobicContact CZ2-CB 4.26Å; W53-C97 HydrophobicContact CZ3-CB 3.94Å; C97-S107 WeakPolarHBondContact O-CA 3.46Å; C97-Q108 PolarHBondContact N-O 2.85Å; C97-Q108 PolarHBondContact O-N 3.45Å
98	T	96.1	Very high	95	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.055	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	117.3	-177.4	-64.3	0	0	0	0	109.6	I51 T52 Q105 D106 S107	I51-T98 WeakPolarHBondContact CA-O 3.36Å; T52-T98 PolarHBondContact N-O 2.9Å; T52-T98 PolarHBondContact O-N 2.68Å; T52-T98 PolarHBondContact OG1-O 2.86Å; T98-Q105 VanDerWaalsContact CG2-CD 3.41Å; T98-Q105 HydrophobicContact CG2-CG 3.48Å; T98-Q105 VanDerWaalsContact CG2-CG 3.48Å; T98-D106 CarbonylContact C-O 3.59Å; T98-D106 WeakPolarHBondContact CA-O 3.43Å; T98-S107 VanDerWaalsContact CG2-OG 3.29Å; T98-S107 WeakPolarHBondContact CG2-OG 3.32Å; T98-S107 PolarHBondContact OG1-OG 3.04Å
99	A	97.3	Very high	95.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.1	178.4	0	0	0	0	0	109.6	P20 I22 A43 P49 S50 I51 Q105 D106	P20-A99 HydrophobicContact CB-CB 3.82Å; P20-A99 WeakPolarHBondContact CB-O 3.2Å; I22-A99 HydrophobicContact CD1-CB 4.42Å; I22-A99 HydrophobicContact CG1-CB 3.93Å; A43-A99 HydrophobicContact CB-CB 3.44Å; A43-A99 VanDerWaalsContact CB-CB 3.44Å; P49-A99 HydrophobicContact CB-CB 4.12Å; P49-A99 HydrophobicContact CG-CB 4.44Å; S50-A99 CarbonylContact O-C 3.51Å; S50-A99 WeakPolarHBondContact O-CA 3.45Å; I51-A99 HydrophobicContact CG1-CB 4.24Å; A99-Q105 CarbonylContact O-C 3.56Å; A99-Q105 WeakPolarHBondContact O-CA 3.3Å; A99-Q105 WeakPolarHBondContact O-CG 3.37Å; A99-D106 PolarHBondContact N-O 3.44Å; A99-D106 PolarHBondContact O-N 3.27Å
100	S	96.3	Very high	95.6	Very high	42 Å²	42	40.5 Å²	40.5	29%	0.294	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.4	-175.5	-167	0	0	0	0	111.5	P49 S50	P49-S100 CarbonylContact C-O 3.54Å; P49-S100 VanDerWaalsContact CA-O 3.25Å; P49-S100 WeakPolarHBondContact CA-O 3.47Å; S50-S100 PolarHBondContact N-O 3.26Å; S50-S100 PolarHBondContact O-N 2.83Å; S50-S100 PolarHBondContact OG-O 2.79Å
101	N	95.4	Very high	95.9	Very high	23 Å²	23	42.5 Å²	42.5	12%	0.123	25%	0.245	C	C	.	.			trans	-138.6	-173	167.5	75.2	6.8	0	0	0	110.2	A18 P20 P47 P49 I103 G104	A18-N101 PolarHBondContact O-ND2 3.23Å; P20-N101 VanDerWaalsContact CD-OD1 3.27Å; P20-N101 WeakPolarHBondContact CD-OD1 3.12Å; P20-N101 HydrophobicContact CG-CB 4.02Å; P47-N101 WeakPolarHBondContact O-CB 3.39Å; P47-N101 PolarHBondContact O-ND2 3.36Å; P49-N101 HydrophobicContact CB-CB 4.35Å; N101-I103 PolarHBondContact O-N 3.31Å; N101-I103 WeakPolarHBondContact OD1-CA 3.27Å; N101-I103 WeakPolarHBondContact OD1-CB 3.4Å; N101-I103 PolarHBondContact OD1-N 3.26Å; N101-G104 PolarHBondContact N-O 2.59Å; N101-G104 PolarHBondContact O-N 2.81Å; N101-G104 VanDerWaalsContact O-O 3.12Å; N101-G104 PolarHBondContact OD1-N 2.97Å; N101-G104 PolarHBondContact OD1-O 2.83Å
102	T	95.3	Very high	96.2	Very high	121 Å²	121	42.3 Å²	42.3	74%	0.742	24%	0.243	S	C	*	.	S	Bend	trans	-68.1	-15.8	-179.7	51.4	0	0	0	0	114.4	P47	P47-T102 WeakPolarHBondContact CD-OG1 3.29Å
103	I	96.1	Very high	96.3	Very high	67 Å²	67	45.2 Å²	45.2	34%	0.344	25%	0.249	S	C	.	.	S	Bend	trans	-93.5	-27.3	-178.6	-46.2	-56.5	0	0	0	111.3	A17 K19 N101	A17-I103 HydrophobicContact CB-CD1 3.6Å; A17-I103 HydrophobicContact CB-CG1 3.91Å; K19-I103 HydrophobicContact CB-CG2 4.48Å; K19-I103 WeakPolarHBondContact CE-O 3.23Å; K19-I103 HydrophobicContact CG-CB 4.19Å; K19-I103 HydrophobicContact CG-CG2 3.58Å; N101-I103 PolarHBondContact O-N 3.31Å; N101-I103 WeakPolarHBondContact OD1-CA 3.27Å; N101-I103 WeakPolarHBondContact OD1-CB 3.4Å; N101-I103 PolarHBondContact OD1-N 3.26Å
104	G	95.9	Very high	96.4	Very high	22 Å²	22	44.3 Å²	44.3	23%	0.227	24%	0.237	C	C	.	.			trans	166	-154	176.6	0	0	0	0	0	113.5	P20 N101	P20-G104 VanDerWaalsContact CD-C 3.44Å; P20-G104 VanDerWaalsContact CD-O 3.29Å; P20-G104 WeakPolarHBondContact CD-O 3.46Å; P20-G104 VanDerWaalsContact CG-O 3.25Å; P20-G104 WeakPolarHBondContact CG-O 3.39Å; N101-G104 PolarHBondContact N-O 2.59Å; N101-G104 PolarHBondContact O-N 2.81Å; N101-G104 VanDerWaalsContact O-O 3.12Å; N101-G104 PolarHBondContact OD1-N 2.97Å; N101-G104 PolarHBondContact OD1-O 2.83Å
105	Q	97.3	Very high	96.3	Very high	120 Å²	120	46.7 Å²	46.7	56%	0.561	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-145.3	149.1	-173.6	-170.5	173.1	42.9	0	0	110.6	T98 A99	T98-Q105 VanDerWaalsContact CG2-CD 3.41Å; T98-Q105 HydrophobicContact CG2-CG 3.48Å; T98-Q105 VanDerWaalsContact CG2-CG 3.48Å; A99-Q105 CarbonylContact O-C 3.56Å; A99-Q105 WeakPolarHBondContact O-CA 3.3Å; A99-Q105 WeakPolarHBondContact O-CG 3.37Å
106	D	98.1	Very high	95.9	Very high	30 Å²	30	53.7 Å²	53.7	16%	0.16	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.4	168.8	-166.6	20.5	0	0	0	108.8	P20 K21 I22 T98 A99	P20-D106 HydrophobicContact CB-CB 4.43Å; P20-D106 WeakPolarHBondContact O-CB 3.37Å; K21-D106 WeakPolarHBondContact CA-OD2 3.25Å; K21-D106 WeakPolarHBondContact CD-OD2 3.27Å; K21-D106 IonicContact NZ-OD1 2.86Å; K21-D106 IonicContact NZ-OD2 3.11Å; K21-D106 PolarHBondContact NZ-OD2 3.32Å; I22-D106 WeakPolarHBondContact CD1-O 3.4Å; I22-D106 HydrophobicContact CG1-CB 4.36Å; I22-D106 PolarHBondContact N-OD2 2.92Å; T98-D106 CarbonylContact C-O 3.59Å; T98-D106 WeakPolarHBondContact CA-O 3.43Å; A99-D106 PolarHBondContact N-O 3.44Å; A99-D106 PolarHBondContact O-N 3.27Å
107	S	97.4	Very high	95.2	Very high	51 Å²	51	57.2 Å²	57.2	36%	0.357	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	137.1	-177.5	-66.2	0	0	0	0	110.6	C97 T98	C97-S107 WeakPolarHBondContact O-CA 3.46Å; T98-S107 VanDerWaalsContact CG2-OG 3.29Å; T98-S107 WeakPolarHBondContact CG2-OG 3.32Å; T98-S107 PolarHBondContact OG1-OG 3.04Å
108	Q	97.7	Very high	94.2	Very high	80 Å²	80	62.5 Å²	62.5	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143	177.2	-77.7	-71.6	136.4	0	0	110.6	I22 V25 I96 C97	I22-Q108 HydrophobicContact CB-CB 4.4Å; I22-Q108 HydrophobicContact CB-CG 3.86Å; I22-Q108 HydrophobicContact CD1-CB 3.82Å; I22-Q108 HydrophobicContact CD1-CG 3.94Å; I22-Q108 HydrophobicContact CG2-CB 3.99Å; I22-Q108 HydrophobicContact CG2-CG 3.78Å; V25-Q108 HydrophobicContact CG1-CB 3.96Å; V25-Q108 HydrophobicContact CG2-CB 4.1Å; I96-Q108 WeakPolarHBondContact CA-O 3.34Å; C97-Q108 PolarHBondContact N-O 2.85Å; C97-Q108 PolarHBondContact O-N 3.45Å
109	S	96.4	Very high	92.9	Very high	44 Å²	44	70.3 Å²	70.3	31%	0.308	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	148.8	174.4	-58.4	0	0	0	0	111.6	E94 Y95	E94-S109 WeakPolarHBondContact OE1-CB 3.47Å; E94-S109 PolarHBondContact OE1-OG 2.95Å; Y95-S109 CarbonylContact O-C 3.54Å; Y95-S109 WeakPolarHBondContact O-CA 3.5Å
110	M	96.4	Very high	91.7	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.8	164.5	66	-170.8	74.1	0	0	109.6	V25 L39 C41 W53 Y95	V25-M110 HydrophobicContact CB-CE 3.8Å; V25-M110 HydrophobicContact CG1-CE 3.54Å; L39-M110 HydrophobicContact CB-SD 3.69Å; L39-M110 HydrophobicContact CD1-SD 4.25Å; L39-M110 HydrophobicContact CD2-SD 3.94Å; L39-M110 HydrophobicContact CG-SD 4.17Å; C41-M110 HydrophobicContact CB-CE 4.28Å; W53-M110 HydrophobicContact CH2-CE 3.41Å; W53-M110 VanDerWaalsContact CH2-CE 3.41Å; W53-M110 HydrophobicContact CH2-SD 3.83Å; W53-M110 HydrophobicContact CZ3-CE 3.47Å; W53-M110 VanDerWaalsContact CZ3-CE 3.47Å; W53-M110 HydrophobicContact CZ3-SD 3.7Å; Y95-M110 PolarHBondContact N-O 2.82Å; Y95-M110 PolarHBondContact O-N 2.86Å
111	Y	96.7	Very high	90.1	Very high	125 Å²	125	85.2 Å²	85.2	49%	0.49	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.7	-178.8	-64.9	-83.5	0	0	0	111.1	N27 Q28 G93 E94	N27-Y111 CarbonylContact C-O 3.46Å; N27-Y111 VanDerWaalsContact CA-O 3.3Å; N27-Y111 WeakPolarHBondContact CA-O 3.25Å; N27-Y111 WeakPolarHBondContact CB-O 3.36Å; N27-Y111 PolarHBondContact OD1-N 3.41Å; Q28-Y111 PolarHBondContact N-O 2.84Å; G93-Y111 WeakPolarHBondContact O-CA 3.38Å; E94-Y111 HydrophobicContact CB-CD1 4.07Å; E94-Y111 HydrophobicContact CB-CE1 3.75Å; E94-Y111 HydrophobicContact CG-CD1 4.4Å; E94-Y111 HydrophobicContact CG-CE1 3.89Å
112	L	96.6	Very high	88.9	Confident	5 Å²	5	86.7 Å²	86.7	3%	0.026	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	116.4	166.5	178.2	59.5	0	0	0	108.5	Q28 A30 V37 L84 D91 A92 G93 Y95 V114	Q28-L112 HydrophobicContact CB-CD1 3.93Å; Q28-L112 WeakPolarHBondContact O-CA 3.46Å; A30-L112 HydrophobicContact CB-CD1 4.22Å; V37-L112 HydrophobicContact CG1-CD1 3.94Å; V37-L112 HydrophobicContact CG1-CD2 3.86Å; V37-L112 HydrophobicContact CG2-CD1 4.12Å; L84-L112 HydrophobicContact CD1-CD2 4.42Å; L84-L112 HydrophobicContact CD2-CD2 4.11Å; D91-L112 HydrophobicContact CB-CD2 4.24Å; A92-L112 VanDerWaalsContact CA-O 3.27Å; A92-L112 WeakPolarHBondContact CA-O 3.39Å; G93-L112 PolarHBondContact N-O 2.83Å; G93-L112 PolarHBondContact O-N 2.81Å; Y95-L112 HydrophobicContact CD2-CB 3.99Å; Y95-L112 HydrophobicContact CE2-CB 3.68Å; Y95-L112 HydrophobicContact CE2-CD2 4.06Å; L112-V114 HydrophobicContact CG-CG2 4.25Å
113	E	96.4	Very high	87.6	Confident	109 Å²	109	87 Å²	87	51%	0.509	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	131.5	169.9	-173.9	178.1	-168.8	0	0	109.5	Q28 T29 A30	Q28-E113 PolarHBondContact O-N 2.99Å; T29-E113 CarbonylContact C-O 3.58Å; T29-E113 WeakPolarHBondContact CA-O 3.23Å; T29-E113 HydrophobicContact CG2-CB 4.31Å; T29-E113 HydrophobicContact CG2-CG 4.47Å; A30-E113 PolarHBondContact N-O 2.87Å
114	V	95.6	Very high	86.4	Confident	14 Å²	14	89.8 Å²	89.8	9%	0.085	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	113.1	174.9	-177.3	0	0	0	0	109.3	A30 E32 I87 D91 A92 L112	A30-V114 CarbonylContact O-C 3.51Å; A30-V114 VanDerWaalsContact O-CA 3.28Å; A30-V114 WeakPolarHBondContact O-CA 3.41Å; E32-V114 HydrophobicContact CB-CG1 4.05Å; I87-V114 HydrophobicContact CG2-CG1 3.87Å; I87-V114 HydrophobicContact CG2-CG2 3.84Å; D91-V114 HydrophobicContact CB-CG2 4.45Å; A92-V114 HydrophobicContact CB-CB 4.08Å; A92-V114 HydrophobicContact CB-CG2 3.9Å; L112-V114 HydrophobicContact CG-CG2 4.25Å
115	Q	93.8	Very high	85	Confident	100 Å²	100	91.7 Å²	91.7	47%	0.467	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138.8	176.5	-63.4	-173.5	0	0	0	110.2	T29 A30 M31 E32	T29-Q115 HydrophobicContact CG2-CG 3.85Å; A30-Q115 PolarHBondContact O-N 3.15Å; M31-Q115 CarbonylContact C-O 3.52Å; M31-Q115 VanDerWaalsContact CA-O 3.27Å; M31-Q115 WeakPolarHBondContact CA-O 3.41Å; E32-Q115 PolarHBondContact N-O 3.4Å
116	Y	87.2	Confident	83.9	Confident	156 Å²	156	91.5 Å²	91.5	61%	0.612	51%	0.508	S	S	*	.			trans	-134	144.6	178.3	55.7	-86.1	0	0	0	110.8	E32	E32-Y116 WeakPolarHBondContact OE2-CB 3.46Å
117	A	82.1	Confident	82.7	Confident	83 Å²	83	99.4 Å²	99.4	69%	0.686	54%	0.536	S	S	*	.			trans	-69.8	133.5	172.6	0	0	0	0	0	109.3	K119	A117-K119 PolarHBondContact O-N 2.8Å
118	P	74.3	Confident	81.4	Confident	111 Å²	111	102.2 Å²	102.2	72%	0.721	55%	0.552	S	S	*	*			trans	-62.3	125.7	174.4	24.4	-31.5	0	0	0	109.4	L120	P118-L120 PolarHBondContact O-N 2.89Å
119	K	69.1	Low	80.4	Confident	174 Å²	174	109.6 Å²	109.6	76%	0.757	58%	0.576	S	S	*	*			trans	-72.7	112.2	171	-66.7	-179.4	-177.9	172.1	0	107.9	A117 Q121	A117-K119 PolarHBondContact O-N 2.8Å; K119-Q121 PolarHBondContact O-N 3.31Å
120	L	71.9	Confident	79.2	Confident	163 Å²	163	115.8 Å²	115.8	85%	0.853	60%	0.6	S	S	*	*			trans	-62.9	105.8	171	-67.4	178.1	0	0	0	108.6	P118 G122	P118-L120 PolarHBondContact O-N 2.89Å; L120-G122 PolarHBondContact O-N 2.76Å
121	Q	61.6	Low	77.7	Confident	192 Å²	192	119 Å²	119	90%	0.897	63%	0.634	S	S	*	*			trans	-92.6	95	172.5	-66.7	-176	34	0	0	108.6	K119	K119-Q121 PolarHBondContact O-N 3.31Å
122	G	70	Confident	76.2	Confident	53 Å²	53	120.5 Å²	120.5	55%	0.546	65%	0.65	S	S	.	*	S	Bend	trans	158.9	148	167.8	0	0	0	0	0	113.5	L120 V124	L120-G122 PolarHBondContact O-N 2.76Å; G122-V124 PolarHBondContact O-N 2.95Å
123	P	69.1	Low	74.2	Confident	129 Å²	129	133 Å²	133	84%	0.838	71%	0.709	S	S	*	*			trans	-61	129.8	169	25.8	-30.7	0	0	0	108.6	A125	P123-A125 PolarHBondContact O-N 3.27Å
124	V	71.1	Confident	73	Confident	124 Å²	124	134.3 Å²	134.3	75%	0.752	72%	0.719	S	S	*	*			trans	-59.9	105.7	166.9	178.7	0	0	0	0	106.2	G122 V126	G122-V124 PolarHBondContact O-N 2.95Å; V124-V126 HydrophobicContact CG1-CG2 4.47Å; V124-V126 PolarHBondContact O-N 3.46Å
125	A	66.4	Low	71.9	Confident	62 Å²	62	140.6 Å²	140.6	51%	0.512	75%	0.752	S	S	.	*			trans	-67.2	100	174.7	0	0	0	0	0	107.7	P123 Y127	P123-A125 PolarHBondContact O-N 3.27Å; A125-Y127 HydrophobicContact CB-CE2 4.14Å; A125-Y127 PolarHBondContact O-N 3Å
126	V	73.8	Confident	70.6	Confident	117 Å²	117	142.8 Å²	142.8	71%	0.709	77%	0.768	S	S	*	*			trans	-77.9	102.7	170.2	-179.1	0	0	0	0	106.6	V124 T128	V124-V126 HydrophobicContact CG1-CG2 4.47Å; V124-V126 PolarHBondContact O-N 3.46Å; V126-T128 HydrophobicContact CG1-CG2 4.46Å; V126-T128 PolarHBondContact O-N 3.39Å
127	Y	72.4	Confident	69.7	Low	195 Å²	195	142.1 Å²	142.1	77%	0.765	78%	0.777	S	S	*	*			trans	-76.3	104.2	170	-59.8	-81.1	0	0	0	108.3	A125 W129	A125-Y127 HydrophobicContact CB-CE2 4.14Å; A125-Y127 PolarHBondContact O-N 3Å; Y127-W129 PolarHBondContact O-N 3.4Å
128	T	70.5	Confident	68.9	Low	111 Å²	111	145.8 Å²	145.8	68%	0.681	78%	0.783	S	S	*	*			trans	-77.6	114.5	164.2	48.9	0	0	0	0	107.9	V126 E130	V126-T128 HydrophobicContact CG1-CG2 4.46Å; V126-T128 PolarHBondContact O-N 3.39Å; T128-E130 PolarHBondContact O-N 3.26Å
129	W	76.3	Confident	68.5	Low	235 Å²	235	148.1 Å²	148.1	89%	0.89	79%	0.787	S	S	*	*			trans	-71.8	106.6	168.7	54.8	89.4	0	0	0	108.3	Y127 G131	Y127-W129 PolarHBondContact O-N 3.4Å; W129-G131 PolarHBondContact O-N 3.4Å
130	E	71.3	Confident	68.5	Low	173 Å²	173	146.2 Å²	146.2	81%	0.808	79%	0.789	S	S	*	*			trans	-79.9	96.6	161.3	-76.5	177.8	157.8	0	0	106.9	T128 N132	T128-E130 PolarHBondContact O-N 3.26Å; E130-N132 PolarHBondContact O-N 2.82Å; E130-N132 VanDerWaalsContact O-N 3.11Å
131	G	65.6	Low	68.2	Low	68 Å²	68	144.9 Å²	144.9	70%	0.701	78%	0.784	S	S	*	*			trans	-65.7	105.2	167.4	0	0	0	0	0	108.6	W129 Q133	W129-G131 PolarHBondContact O-N 3.4Å; G131-Q133 PolarHBondContact O-N 2.99Å
132	N	65.5	Low	68.8	Low	157 Å²	157	141 Å²	141	84%	0.84	78%	0.775	S	S	*	*			trans	-69.2	120.8	167.3	-84	-13.5	0	0	0	109.1	E130	E130-N132 PolarHBondContact O-N 2.82Å; E130-N132 VanDerWaalsContact O-N 3.11Å
133	Q	53.3	Low	68.7	Low	268 Å²	268	149 Å²	149	100%	1.252	80%	0.795	S	S	*	*			trans	-59.2	0	168.3	-92.5	174.7	-123.3	0	0	112.7	G131	G131-Q133 PolarHBondContact O-N 2.99Å

Retrieved 133 of 133 residues in 133.7 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).