A0A087WXE0_HUMAN Loading...

E3 ubiquitin-protein ligase

E3 ubiquitin ligase.

AlphaFold DB , UniProt , Accession A0A087WXE0, Species HUMAN (Homo sapiens, Human), Gene NEURL3, Length 104 aa.

						>A0A087WXE0_HUMAN|A0A087WXE0|NEURL3
MDVYGTTKAIELLDPTASRLPTPMPWDLSNKAVPEPKATPGEECAICFYHAANTRLVPCGHTYFCRYCAWRVFSDTAKCPVCRWQIEAVAPAQGPPALRVEEGS
					

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	44.3	Very low	62.4	Low	225 Å²	225	147.6 Å²	147.6	100%	1.108	80%	0.8	S	S	*	*				0	89.3	0	-83.3	77.5	164.6	0	0	108.6
2	D	53.8	Low	62.7	Low	123 Å²	123	148.7 Å²	148.7	66%	0.658	80%	0.803	S	S	*	*			trans	-70.8	126.5	163.1	29.9	-63.3	0	0	0	108.6	Y4	D2-Y4 VanDerWaalsContact C-N 3.26Å; D2-Y4 PolarHBondContact O-N 3.48Å
3	V	65.9	Low	62.6	Low	122 Å²	122	150.2 Å²	150.2	74%	0.739	81%	0.809	S	S	*	*	S	Bend	trans	-77.1	-5.6	-164.3	171.1	0	0	0	0	113.6
4	Y	66.6	Low	62.6	Low	210 Å²	210	149.6 Å²	149.6	82%	0.824	81%	0.806	S	S	*	*	S	Bend	trans	-139.6	111.7	173.5	-66.7	-82.2	0	0	0	109.2	D2	D2-Y4 VanDerWaalsContact C-N 3.26Å; D2-Y4 PolarHBondContact O-N 3.48Å
5	G	59	Low	62	Low	60 Å²	60	148.4 Å²	148.4	62%	0.619	81%	0.809	S	S	*	*			trans	-51.6	148.2	-169.4	0	0	0	0	0	114.9	T7	G5-T7 PolarHBondContact O-N 3.04Å; G5-T7 VanDerWaalsContact O-N 3.14Å
6	T	65.4	Low	61.7	Low	129 Å²	129	146.9 Å²	146.9	79%	0.791	81%	0.806	S	S	*	*			trans	-40.7	110.4	173.9	27	0	0	0	0	112.9	K8	T6-K8 PolarHBondContact O-N 2.86Å
7	T	66.9	Low	61.1	Low	135 Å²	135	144.4 Å²	144.4	83%	0.828	81%	0.809	S	S	*	*			trans	-70.7	115	170.2	74.1	0	0	0	0	108.1	G5 A9	G5-T7 PolarHBondContact O-N 3.04Å; G5-T7 VanDerWaalsContact O-N 3.14Å; T7-A9 PolarHBondContact O-N 2.83Å
8	K	67.8	Low	61.2	Low	197 Å²	197	142.2 Å²	142.2	86%	0.857	81%	0.805	S	S	*	*			trans	-72.5	119.5	167.6	-69.4	-168.8	173.1	-164.8	0	108.1	T6 I10	T6-K8 PolarHBondContact O-N 2.86Å; K8-I10 PolarHBondContact O-N 2.79Å
9	A	66.9	Low	60.9	Low	91 Å²	91	147.4 Å²	147.4	75%	0.752	81%	0.81	S	S	*	*			trans	-60.4	132.9	170.9	0	0	0	0	0	109.1	T7 E11	T7-A9 PolarHBondContact O-N 2.83Å; A9-E11 PolarHBondContact O-N 2.86Å
10	I	65.7	Low	60.7	Low	152 Å²	152	148.6 Å²	148.6	78%	0.779	82%	0.815	S	S	*	*			trans	-81.8	111	169.6	-62.5	169.6	0	0	0	105.8	K8 L12	K8-I10 PolarHBondContact O-N 2.79Å; I10-L12 PolarHBondContact O-N 2.98Å
11	E	64.5	Low	60	Low	180 Å²	180	147.4 Å²	147.4	84%	0.841	81%	0.814	S	S	*	*			trans	-69.5	111.5	170.2	-67	-177.2	136.2	0	0	108.1	A9 L13	A9-E11 PolarHBondContact O-N 2.86Å; E11-L13 PolarHBondContact O-N 2.84Å
12	L	65.4	Low	60.3	Low	160 Å²	160	142 Å²	142	84%	0.838	79%	0.793	S	S	*	*			trans	-69.6	112.3	170.7	-66.3	172.1	0	0	0	107.7	I10	I10-L12 PolarHBondContact O-N 2.98Å
13	L	61.4	Low	60.2	Low	169 Å²	169	141.7 Å²	141.7	89%	0.885	80%	0.798	S	S	*	*			trans	-64.5	138.5	173.7	-74.1	152.5	0	0	0	110.5	E11	E11-L13 PolarHBondContact O-N 2.84Å
14	D	62.4	Low	59.7	Low	142 Å²	142	143.1 Å²	143.1	76%	0.759	80%	0.799	S	S	*	*			trans	-57.1	154.6	-163.5	-69.3	-80.8	0	0	0	117.5	T16	D14-T16 VanDerWaalsContact C-N 3.32Å; D14-T16 PolarHBondContact O-N 3.49Å
15	P	54.7	Low	59.3	Low	131 Å²	131	138.6 Å²	138.6	85%	0.851	80%	0.795	S	S	*	*	S	Bend	trans	-83	14.1	-178.1	-4.6	24	0	0	0	115.7
16	T	56.7	Low	58.8	Low	125 Å²	125	147.3 Å²	147.3	77%	0.767	81%	0.81	S	S	*	*			trans	-115.7	84.6	-172.2	-137.3	0	0	0	0	112.7	D14	D14-T16 VanDerWaalsContact C-N 3.32Å; D14-T16 PolarHBondContact O-N 3.49Å
17	A	52.1	Low	58.2	Low	103 Å²	103	147.5 Å²	147.5	85%	0.851	81%	0.806	S	S	*	*			trans	-128.2	47	161.1	0	0	0	0	0	110	R19	A17-R19 PolarHBondContact O-N 3.15Å
18	S	61.8	Low	57.7	Low	105 Å²	105	147.2 Å²	147.2	73%	0.734	80%	0.798	S	S	*	*			trans	-72.9	101	161.7	-67.2	0	0	0	0	108.8
19	R	56.5	Low	57.2	Low	241 Å²	241	143.5 Å²	143.5	91%	0.909	80%	0.797	S	S	*	*			trans	-167	88.3	150.3	-100.7	162.8	-158.4	-168.3	6.6	108.5	A17 P21	A17-R19 PolarHBondContact O-N 3.15Å; R19-P21 WeakPolarHBondContact O-CD 3.44Å
20	L	56.4	Low	56.8	Low	172 Å²	172	144.8 Å²	144.8	90%	0.901	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-59.2	128.3	165.1	-66.4	165.1	0	0	0	109.4
21	P	46	Very low	56.2	Low	123 Å²	123	146.3 Å²	146.3	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-75.8	132.6	158.1	-8.8	26.3	0	0	0	109.3	R19	R19-P21 WeakPolarHBondContact O-CD 3.44Å
22	T	51.5	Low	55.8	Low	111 Å²	111	142.3 Å²	142.3	68%	0.681	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-50.6	149.3	174.1	6.8	0	0	0	0	113.1
23	P	51.6	Low	55.3	Low	117 Å²	117	139.7 Å²	139.7	76%	0.76	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-75.4	128.4	-177	31.7	-31.8	0	0	0	110.4
24	M	53.8	Low	54.8	Low	153 Å²	153	137.1 Å²	137.1	75%	0.754	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-92.3	120.9	168	-54.8	-60.7	162.2	0	0	108.5	W26	M24-W26 PolarHBondContact O-N 2.74Å
25	P	59.5	Low	54.3	Low	114 Å²	114	138.6 Å²	138.6	74%	0.74	78%	0.776	S	S	*	*			trans	-80.5	113.9	172.1	31.3	-28.5	0	0	0	108.4	D27	P25-D27 PolarHBondContact O-N 2.93Å
26	W	48.3	Very low	54.4	Low	244 Å²	244	137.2 Å²	137.2	92%	0.924	77%	0.768	S	S	*	*			trans	-96.4	88.2	173	59	-70.3	0	0	0	108.6	M24	M24-W26 PolarHBondContact O-N 2.74Å
27	D	52.3	Low	53.9	Low	132 Å²	132	140.3 Å²	140.3	71%	0.706	77%	0.771	S	S	*	*			trans	-73	121.3	165.5	-96.8	-77.1	0	0	0	110.3	P25	P25-D27 PolarHBondContact O-N 2.93Å
28	L	55.6	Low	53.6	Low	129 Å²	129	138.8 Å²	138.8	68%	0.675	76%	0.758	S	S	*	*			trans	53.8	99	136.8	-61	162.6	0	0	0	118.4	N30	L28-N30 WeakPolarHBondContact CD2-OD1 3.46Å
29	S	58.6	Low	53.1	Low	120 Å²	120	137.9 Å²	137.9	84%	0.839	75%	0.748	S	S	*	*			trans	-122.2	100.8	134.8	-157.9	0	0	0	0	110.1	K31	S29-K31 PolarHBondContact O-N 2.88Å
30	N	57.2	Low	52.5	Low	118 Å²	118	133 Å²	133	63%	0.631	75%	0.747	S	S	*	*			trans	-59.5	104.2	176.4	-63.1	9.6	0	0	0	110.3	L28	L28-N30 WeakPolarHBondContact CD2-OD1 3.46Å
31	K	53.3	Low	52.6	Low	183 Å²	183	126.3 Å²	126.3	80%	0.796	72%	0.72	S	S	*	*			trans	-116.7	93.6	139.2	-76.7	-77.2	176.1	-75.5	0	105.5	S29 V33	S29-K31 PolarHBondContact O-N 2.88Å; K31-V33 PolarHBondContact O-N 2.73Å
32	A	57.2	Low	54.1	Low	97 Å²	97	124.6 Å²	124.6	80%	0.802	70%	0.701	S	S	*	*			trans	-60.8	83	157.6	0	0	0	0	0	106.7
33	V	53.3	Low	56	Low	105 Å²	105	124.7 Å²	124.7	64%	0.636	69%	0.694	S	S	*	*			trans	-57.4	124.9	144.9	-179.6	0	0	0	0	102.8	K31 E35	K31-V33 PolarHBondContact O-N 2.73Å; V33-E35 PolarHBondContact O-N 3.05Å
34	P	51.4	Low	58.1	Low	115 Å²	115	119.1 Å²	119.1	75%	0.747	66%	0.658	S	S	*	*			trans	-59.2	99.2	163.4	15.2	-11	0	0	0	104	P36	P34-P36 VanDerWaalsContact O-CD 3.31Å; P34-P36 WeakPolarHBondContact O-CD 3.25Å
35	E	51.4	Low	60.1	Low	172 Å²	172	114.4 Å²	114.4	80%	0.804	64%	0.643	S	S	*	*			trans	-50.7	118.2	163.3	-71.7	-157.2	101.9	0	0	103.7	V33 K37	V33-E35 PolarHBondContact O-N 3.05Å; E35-K37 PolarHBondContact O-N 2.91Å
36	P	56.9	Low	61.8	Low	103 Å²	103	112.5 Å²	112.5	67%	0.669	63%	0.626	S	S	*	*			trans	-54.9	117.7	170.1	24.3	-29.6	0	0	0	103.1	P34 A38	P34-P36 VanDerWaalsContact O-CD 3.31Å; P34-P36 WeakPolarHBondContact O-CD 3.25Å; P36-A38 PolarHBondContact O-N 2.78Å
37	K	47	Very low	64.1	Low	190 Å²	190	103 Å²	103	83%	0.826	60%	0.596	S	S	*	*			trans	-61.7	85.9	-176.8	-168.8	177.8	-167.9	177.1	0	104.8	E35 T39	E35-K37 PolarHBondContact O-N 2.91Å; K37-T39 PolarHBondContact O-N 3.43Å
38	A	46.7	Very low	66.1	Low	70 Å²	70	103.2 Å²	103.2	58%	0.579	59%	0.591	S	S	*	*			trans	-64.8	96.8	-171.7	0	0	0	0	0	104.8	P36 P40 E42	P36-A38 PolarHBondContact O-N 2.78Å; A38-P40 WeakPolarHBondContact O-CD 3.37Å; A38-E42 VanDerWaalsContact CA-CD 3.49Å; A38-E42 HydrophobicContact CB-CG 4.31Å
39	T	50.7	Low	67.8	Low	87 Å²	87	106.2 Å²	106.2	53%	0.534	60%	0.595	S	S	.	*			trans	-55.8	126.4	173.8	55	0	0	0	0	105.6	K37 G41 E42	K37-T39 PolarHBondContact O-N 3.43Å; T39-G41 PolarHBondContact O-N 2.85Å; T39-E42 WeakPolarHBondContact CB-OE1 3.16Å; T39-E42 VanDerWaalsContact N-CD 3.32Å; T39-E42 PolarHBondContact N-OE1 3.44Å; T39-E42 WeakPolarHBondContact O-CG 3.48Å; T39-E42 PolarHBondContact O-N 3.16Å; T39-E42 VanDerWaalsContact O-N 3.07Å; T39-E42 WeakPolarHBondContact OG1-CG 3.46Å; T39-E42 PolarHBondContact OG1-OE1 3.39Å
40	P	44.3	Very low	69.4	Low	138 Å²	138	104.1 Å²	104.1	90%	0.896	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	102.2	-177.6	-25.2	33.8	0	0	0	109.3	A38	A38-P40 WeakPolarHBondContact O-CD 3.37Å
41	G	58.8	Low	71	Confident	32 Å²	32	101.4 Å²	101.4	33%	0.33	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	133.9	3.2	-165	0	0	0	0	0	116.6	T39 A52	T39-G41 PolarHBondContact O-N 2.85Å; G41-A52 VanDerWaalsContact O-CB 3.3Å; G41-A52 WeakPolarHBondContact O-CB 3.44Å
42	E	76.6	Confident	73	Confident	86 Å²	86	93.4 Å²	93.4	40%	0.402	53%	0.534	S	S	.	.	S	Bend	trans	-78.9	-31.6	-179.8	-41	-148	156.7	0	0	113.1	A38 T39 A51 A52	A38-E42 VanDerWaalsContact CA-CD 3.49Å; A38-E42 HydrophobicContact CB-CG 4.31Å; T39-E42 WeakPolarHBondContact CB-OE1 3.16Å; T39-E42 VanDerWaalsContact N-CD 3.32Å; T39-E42 PolarHBondContact N-OE1 3.44Å; T39-E42 WeakPolarHBondContact O-CG 3.48Å; T39-E42 PolarHBondContact O-N 3.16Å; T39-E42 VanDerWaalsContact O-N 3.07Å; T39-E42 WeakPolarHBondContact OG1-CG 3.46Å; T39-E42 PolarHBondContact OG1-OE1 3.39Å; E42-A51 CarbonylContact O-C 3.59Å; E42-A51 WeakPolarHBondContact O-CA 3.49Å; E42-A51 WeakPolarHBondContact O-CB 3.29Å; E42-A52 PolarHBondContact O-N 3.41Å
43	E	92.3	Very high	74.7	Confident	114 Å²	114	92.7 Å²	92.7	53%	0.533	52%	0.517	S	S	.	.	B	Isolated β-bridge	trans	-114.8	151.7	-174.7	65	177.7	164.2	0	0	113.9	A45 A52	E43-A45 PolarHBondContact O-N 3.15Å; E43-A52 VanDerWaalsContact O-CB 3.28Å; E43-A52 WeakPolarHBondContact O-CB 3.1Å
44	C	95.1	Very high	76.7	Confident	0 Å²	0	88 Å²	88	0%	0	49%	0.488	C	S	.	.			trans	-71	121.8	178.2	177.7	0	0	0	0	111.2	I46 C47 F48 H50 Y63 C65	C44-I46 PolarHBondContact O-N 2.82Å; C44-I46 PolarHBondContact SG-N 3.05Å; C44-C47 PolarHBondContact O-N 3.04Å; C44-F48 WeakPolarHBondContact O-CA 3.44Å; C44-F48 PolarHBondContact O-N 3.48Å; C44-H50 VanDerWaalsContact CB-O 3.22Å; C44-H50 WeakPolarHBondContact CB-O 3.5Å; C44-H50 PolarHBondContact N-O 3.04Å; C44-Y63 WeakPolarHBondContact CA-O 3.4Å; C44-C65 HydrophobicContact CB-CB 3.81Å; C44-C65 PolarHBondContact SG-N 3.15Å
45	A	94.6	Very high	78.8	Confident	53 Å²	53	88 Å²	88	44%	0.438	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-4.3	179.3	0	0	0	0	0	115.2	E43 F48 Y63	E43-A45 PolarHBondContact O-N 3.15Å; A45-F48 WeakPolarHBondContact O-CZ 3.46Å; A45-Y63 PolarHBondContact N-O 3.36Å
46	I	95.4	Very high	80.9	Confident	74 Å²	74	79.8 Å²	79.8	38%	0.379	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	-49.3	178.3	-65.5	172.2	0	0	0	110.8	C44 F64 C68 V72	C44-I46 PolarHBondContact O-N 2.82Å; C44-I46 PolarHBondContact SG-N 3.05Å; I46-F64 HydrophobicContact CD1-CD1 3.45Å; I46-F64 VanDerWaalsContact CD1-CD1 3.45Å; I46-F64 HydrophobicContact CD1-CE1 3.66Å; I46-F64 HydrophobicContact CD1-CG 4.49Å; I46-F64 HydrophobicContact CG1-CD1 3.8Å; I46-F64 HydrophobicContact CG1-CE1 3.88Å; I46-C68 HydrophobicContact CB-CB 4Å; I46-C68 HydrophobicContact CD1-CB 3.9Å; I46-C68 HydrophobicContact CG1-CB 4.49Å; I46-C68 HydrophobicContact CG2-CB 4.17Å; I46-V72 HydrophobicContact CD1-CG2 3.82Å
47	C	96.4	Very high	82.8	Confident	45 Å²	45	76.9 Å²	76.9	30%	0.304	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-15.8	-174.4	68.4	0	0	0	0	114.7	C44 Y49	C44-C47 PolarHBondContact O-N 3.04Å; C47-Y49 PolarHBondContact O-N 2.92Å
48	F	94.3	Very high	85.2	Confident	137 Å²	137	70.6 Å²	70.6	60%	0.601	39%	0.394	S	S	*	.	S	Bend	trans	49.7	28.5	-177.3	-56.3	-83.5	0	0	0	113.8	C44 A45	C44-F48 WeakPolarHBondContact O-CA 3.44Å; C44-F48 PolarHBondContact O-N 3.48Å; A45-F48 WeakPolarHBondContact O-CZ 3.46Å
49	Y	91.8	Very high	87.6	Confident	191 Å²	191	69.1 Å²	69.1	75%	0.749	38%	0.379	S	S	*	.	S	Bend	trans	-129.3	-39.1	-174	-176.3	-102.1	0	0	0	112.6	C47	C47-Y49 PolarHBondContact O-N 2.92Å
50	H	92.5	Very high	89.7	Confident	77 Å²	77	66.1 Å²	66.1	36%	0.356	37%	0.365	S	S	.	.	S	Bend	trans	-105.9	155.1	178.7	-66.6	-55.6	0	0	0	111.2	C44 C65	C44-H50 VanDerWaalsContact CB-O 3.22Å; C44-H50 WeakPolarHBondContact CB-O 3.5Å; C44-H50 PolarHBondContact N-O 3.04Å; H50-C65 HydrophobicContact CB-CB 3.54Å
51	A	92.1	Very high	92.1	Very high	60 Å²	60	61.7 Å²	61.7	50%	0.496	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-63.8	143.5	176.7	0	0	0	0	0	112.5	E42 N53 C65	E42-A51 CarbonylContact O-C 3.59Å; E42-A51 WeakPolarHBondContact O-CA 3.49Å; E42-A51 WeakPolarHBondContact O-CB 3.29Å; A51-N53 PolarHBondContact O-N 3.05Å; A51-N53 PolarHBondContact O-OD1 2.85Å; A51-C65 WeakPolarHBondContact O-CA 3.38Å; A51-C65 WeakPolarHBondContact O-CB 3.48Å
52	A	94.2	Very high	93.8	Very high	16 Å²	16	62.6 Å²	62.6	13%	0.132	33%	0.331	C	S	.	.			trans	-75.3	90.4	172.2	0	0	0	0	0	109.7	G41 E42 E43 T62 F64	G41-A52 VanDerWaalsContact O-CB 3.3Å; G41-A52 WeakPolarHBondContact O-CB 3.44Å; E42-A52 PolarHBondContact O-N 3.41Å; E43-A52 VanDerWaalsContact O-CB 3.28Å; E43-A52 WeakPolarHBondContact O-CB 3.1Å; A52-T62 WeakPolarHBondContact CB-O 3.42Å; A52-F64 CarbonylContact C-O 3.46Å; A52-F64 WeakPolarHBondContact CA-O 3.42Å
53	N	92.8	Very high	94.7	Very high	82 Å²	82	63.4 Å²	63.4	44%	0.439	33%	0.332	S	S	.	.			trans	-122.4	10.3	-170.7	68.1	-6.6	0	0	0	114	A51 F64 R66 P91 A92	A51-N53 PolarHBondContact O-N 3.05Å; A51-N53 PolarHBondContact O-OD1 2.85Å; N53-F64 PolarHBondContact N-O 3.49Å; N53-R66 PolarHBondContact OD1-N 3.05Å; N53-R66 VanDerWaalsContact OD1-N 3.15Å; N53-P91 WeakPolarHBondContact O-CA 3.45Å; N53-A92 PolarHBondContact O-N 3.22Å
54	T	94.5	Very high	94.8	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.037	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	143.1	177.6	54.5	0	0	0	0	113.1	T62 F64 C65 R66 A69 V89 A90	T54-T62 CarbonylContact O-C 3.41Å; T54-T62 WeakPolarHBondContact O-CA 3.49Å; T54-F64 PolarHBondContact N-O 3Å; T54-F64 PolarHBondContact OG1-O 2.94Å; T54-C65 VanDerWaalsContact OG1-C 3.32Å; T54-C65 PolarHBondContact OG1-O 2.75Å; T54-R66 VanDerWaalsContact CG2-CA 3.41Å; T54-R66 HydrophobicContact CG2-CB 3.76Å; T54-R66 HydrophobicContact CG2-CG 4.33Å; T54-A69 VanDerWaalsContact OG1-CB 3.26Å; T54-A69 WeakPolarHBondContact OG1-CB 3.34Å; T54-V89 HydrophobicContact CG2-CG1 4.32Å; T54-A90 CarbonylContact C-O 3.49Å; T54-A90 VanDerWaalsContact CA-O 3.29Å; T54-A90 WeakPolarHBondContact CA-O 3.37Å; T54-A90 WeakPolarHBondContact CB-O 3.18Å
55	R	95.5	Very high	94.9	Very high	114 Å²	114	58.4 Å²	58.4	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.8	174.9	179.1	178.8	171.1	-165.5	0.1	109.8	H61 T62 A90 A92	R55-H61 WeakPolarHBondContact CA-O 3.34Å; R55-T62 HydrophobicContact CB-CG2 3.91Å; R55-T62 HydrophobicContact CG-CG2 4.18Å; R55-A90 PolarHBondContact N-O 3.25Å; R55-A90 PolarHBondContact O-N 3.23Å; R55-A92 HydrophobicContact CB-CB 4.47Å
56	L	96.9	Very high	94.9	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	132	169.7	-57.3	179.6	0	0	0	110.3	G60 H61 F64 A69 C79 I86 V89	L56-G60 VanDerWaalsContact O-CA 3.25Å; L56-G60 WeakPolarHBondContact O-CA 3.36Å; L56-G60 PolarHBondContact O-N 3.35Å; L56-H61 PolarHBondContact N-O 3.25Å; L56-F64 HydrophobicContact CD1-CD2 3.82Å; L56-F64 HydrophobicContact CD1-CE2 3.69Å; L56-F64 HydrophobicContact CG-CD2 4.2Å; L56-F64 HydrophobicContact CG-CE2 4.48Å; L56-A69 HydrophobicContact CD2-CB 4.07Å; L56-C79 HydrophobicContact CD1-CB 4.07Å; L56-I86 HydrophobicContact CB-CG1 4.43Å; L56-I86 HydrophobicContact CB-CG2 4.44Å; L56-I86 HydrophobicContact CD1-CD1 3.82Å; L56-I86 HydrophobicContact CD1-CG1 4.26Å; L56-I86 HydrophobicContact CD2-CD1 4.06Å; L56-I86 HydrophobicContact CD2-CG2 4.24Å; L56-I86 HydrophobicContact CG-CD1 4.41Å; L56-V89 HydrophobicContact CD2-CG2 4.06Å
57	V	96.6	Very high	95	Very high	42 Å²	42	66 Å²	66	26%	0.255	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.2	178.5	179.3	0	0	0	0	108.9	I86 E87 A88 A90	V57-I86 WeakPolarHBondContact O-CA 3.03Å; V57-E87 PolarHBondContact O-N 2.91Å; V57-A88 HydrophobicContact CB-CB 4.2Å; V57-A88 PolarHBondContact N-O 3.46Å; V57-A90 HydrophobicContact CG2-CB 4.3Å
58	P	96.8	Very high	95.1	Very high	58 Å²	58	64.3 Å²	64.3	38%	0.377	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.2	-14.8	6.4	33.4	-34.3	0	0	0	115.3	G60 Q85	P58-G60 VanDerWaalsContact C-N 3.27Å; P58-G60 PolarHBondContact O-N 3.4Å; P58-G60 VanDerWaalsContact O-N 3.15Å; P58-Q85 WeakPolarHBondContact CD-O 3.38Å
59	C	96.9	Very high	95.2	Very high	39 Å²	39	57.8 Å²	57.8	26%	0.264	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-24.7	-166.8	65.9	0	0	0	0	115.6	C79 C82 W84	C59-C79 VanDerWaalsContact SG-SG 3.61Å; C59-C82 WeakPolarHBondContact CB-SG 3.21Å; C59-W84 HydrophobicContact CB-CB 4.14Å
60	G	94.4	Very high	95.5	Very high	24 Å²	24	54.1 Å²	54.1	25%	0.247	27%	0.267	C	S	.	.			trans	85.7	2.4	171.8	0	0	0	0	0	117	L56 P58 T62	L56-G60 VanDerWaalsContact O-CA 3.25Å; L56-G60 WeakPolarHBondContact O-CA 3.36Å; L56-G60 PolarHBondContact O-N 3.35Å; P58-G60 VanDerWaalsContact C-N 3.27Å; P58-G60 PolarHBondContact O-N 3.4Å; P58-G60 VanDerWaalsContact O-N 3.15Å; G60-T62 WeakPolarHBondContact O-CG2 3.29Å; G60-T62 PolarHBondContact O-N 2.94Å
61	H	95.8	Very high	95.7	Very high	46 Å²	46	58 Å²	58	21%	0.213	28%	0.278	C	S	.	.			trans	-65.3	134.6	178.3	-65.7	104.5	0	0	0	112.2	R55 L56 Y63 C79 V81 C82	R55-H61 WeakPolarHBondContact CA-O 3.34Å; L56-H61 PolarHBondContact N-O 3.25Å; H61-Y63 HydrophobicContact CB-CD2 4.09Å; H61-Y63 HydrophobicContact CB-CE2 4.21Å; H61-Y63 AromaticContact CD2-CE2 3.66Å; H61-C79 PolarHBondContact ND1-SG 3.22Å; H61-C79 VanDerWaalsContact ND1-SG 3.39Å; H61-V81 HydrophobicContact CB-CG2 4.27Å; H61-C82 VanDerWaalsContact CE1-CB 3.48Å; H61-C82 WeakPolarHBondContact CE1-CB 3.26Å; H61-C82 PolarHBondContact CE1-SG 3.29Å; H61-C82 PolarHBondContact ND1-SG 2.92Å; H61-C82 VanDerWaalsContact ND1-SG 3.44Å
62	T	94.8	Very high	96	Very high	50 Å²	50	56.1 Å²	56.1	31%	0.307	26%	0.26	S	S	.	.			trans	-115.4	11.6	-171	56.6	0	0	0	0	115.5	A52 T54 R55 G60 F64 A92	A52-T62 WeakPolarHBondContact CB-O 3.42Å; T54-T62 CarbonylContact O-C 3.41Å; T54-T62 WeakPolarHBondContact O-CA 3.49Å; R55-T62 HydrophobicContact CB-CG2 3.91Å; R55-T62 HydrophobicContact CG-CG2 4.18Å; G60-T62 WeakPolarHBondContact O-CG2 3.29Å; G60-T62 PolarHBondContact O-N 2.94Å; T62-F64 PolarHBondContact O-N 3.25Å; T62-A92 HydrophobicContact CG2-CB 3.77Å
63	Y	94.4	Very high	96.1	Very high	104 Å²	104	58.1 Å²	58.1	41%	0.408	27%	0.266	S	S	.	.			trans	-77.8	14.7	-169.9	-50.8	-73.2	0	0	0	115.3	C44 A45 H61 V81	C44-Y63 WeakPolarHBondContact CA-O 3.4Å; A45-Y63 PolarHBondContact N-O 3.36Å; H61-Y63 HydrophobicContact CB-CD2 4.09Å; H61-Y63 HydrophobicContact CB-CE2 4.21Å; H61-Y63 AromaticContact CD2-CE2 3.66Å; Y63-V81 HydrophobicContact CD2-CG2 3.72Å; Y63-V81 HydrophobicContact CE2-CG1 4.47Å; Y63-V81 HydrophobicContact CE2-CG2 4.07Å
64	F	95.4	Very high	96.4	Very high	6 Å²	6	58.5 Å²	58.5	3%	0.026	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-125.1	147.2	-169.2	-50.6	-68.1	0	0	0	110.7	I46 A52 N53 T54 L56 T62 A69 P80 V81	I46-F64 HydrophobicContact CD1-CD1 3.45Å; I46-F64 VanDerWaalsContact CD1-CD1 3.45Å; I46-F64 HydrophobicContact CD1-CE1 3.66Å; I46-F64 HydrophobicContact CD1-CG 4.49Å; I46-F64 HydrophobicContact CG1-CD1 3.8Å; I46-F64 HydrophobicContact CG1-CE1 3.88Å; A52-F64 CarbonylContact C-O 3.46Å; A52-F64 WeakPolarHBondContact CA-O 3.42Å; N53-F64 PolarHBondContact N-O 3.49Å; T54-F64 PolarHBondContact N-O 3Å; T54-F64 PolarHBondContact OG1-O 2.94Å; L56-F64 HydrophobicContact CD1-CD2 3.82Å; L56-F64 HydrophobicContact CD1-CE2 3.69Å; L56-F64 HydrophobicContact CG-CD2 4.2Å; L56-F64 HydrophobicContact CG-CE2 4.48Å; T62-F64 PolarHBondContact O-N 3.25Å; F64-A69 HydrophobicContact CB-CB 4.02Å; F64-P80 HydrophobicContact CE1-CB 4.21Å; F64-P80 HydrophobicContact CE1-CG 3.9Å; F64-P80 HydrophobicContact CE2-CG 4.27Å; F64-P80 HydrophobicContact CZ-CB 3.82Å; F64-P80 HydrophobicContact CZ-CG 3.58Å; F64-V81 HydrophobicContact CE2-CG2 4.27Å; F64-V81 HydrophobicContact CZ-CG2 3.92Å
65	C	96	Very high	96.5	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.014	30%	0.304	C	S	.	.			trans	-79.8	164.6	165	72.8	0	0	0	0	109.9	C44 H50 A51 T54 Y67 C68 A69	C44-C65 HydrophobicContact CB-CB 3.81Å; C44-C65 PolarHBondContact SG-N 3.15Å; H50-C65 HydrophobicContact CB-CB 3.54Å; A51-C65 WeakPolarHBondContact O-CA 3.38Å; A51-C65 WeakPolarHBondContact O-CB 3.48Å; T54-C65 VanDerWaalsContact OG1-C 3.32Å; T54-C65 PolarHBondContact OG1-O 2.75Å; C65-Y67 VanDerWaalsContact C-N 3.32Å; C65-Y67 PolarHBondContact O-N 2.73Å; C65-C68 PolarHBondContact O-N 2.87Å; C65-C68 PolarHBondContact SG-N 3.02Å; C65-A69 VanDerWaalsContact O-CB 3.29Å; C65-A69 WeakPolarHBondContact O-CB 2.99Å; C65-A69 PolarHBondContact O-N 2.66Å
66	R	95.7	Very high	96.6	Very high	139 Å²	139	62.4 Å²	62.4	53%	0.525	31%	0.308	S	S	.	.	H	α-helix	trans	-50.9	-46.9	177.4	-175.3	175.3	177	-91.6	-1.2	113.8	N53 T54 W70	N53-R66 PolarHBondContact OD1-N 3.05Å; N53-R66 VanDerWaalsContact OD1-N 3.15Å; T54-R66 VanDerWaalsContact CG2-CA 3.41Å; T54-R66 HydrophobicContact CG2-CB 3.76Å; T54-R66 HydrophobicContact CG2-CG 4.33Å; R66-W70 WeakPolarHBondContact O-CB 3.48Å; R66-W70 VanDerWaalsContact O-CD1 3.27Å; R66-W70 PolarHBondContact O-N 2.78Å
67	Y	97.1	Very high	96.6	Very high	148 Å²	148	63.4 Å²	63.4	58%	0.58	32%	0.316	S	S	*	.	H	α-helix	trans	-66.7	-47	-176.2	-61	-80.8	0	0	0	112.4	C65 W70 R71	C65-Y67 VanDerWaalsContact C-N 3.32Å; C65-Y67 PolarHBondContact O-N 2.73Å; Y67-W70 PolarHBondContact O-N 3.07Å; Y67-R71 PolarHBondContact O-N 2.62Å
68	C	97.7	Very high	96.6	Very high	9 Å²	9	66.7 Å²	66.7	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-67.9	-39.3	179.2	-67.1	0	0	0	0	111.8	I46 C65 R71 V72	I46-C68 HydrophobicContact CB-CB 4Å; I46-C68 HydrophobicContact CD1-CB 3.9Å; I46-C68 HydrophobicContact CG1-CB 4.49Å; I46-C68 HydrophobicContact CG2-CB 4.17Å; C65-C68 PolarHBondContact O-N 2.87Å; C65-C68 PolarHBondContact SG-N 3.02Å; C68-R71 PolarHBondContact O-N 3.06Å; C68-V72 WeakPolarHBondContact O-CG2 3.41Å; C68-V72 PolarHBondContact O-N 3.17Å
69	A	97.1	Very high	96.7	Very high	1 Å²	1	64 Å²	64	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-61.8	-44	175.9	0	0	0	0	0	112.2	T54 L56 F64 C65 V72 F73 V89	T54-A69 VanDerWaalsContact OG1-CB 3.26Å; T54-A69 WeakPolarHBondContact OG1-CB 3.34Å; L56-A69 HydrophobicContact CD2-CB 4.07Å; F64-A69 HydrophobicContact CB-CB 4.02Å; C65-A69 VanDerWaalsContact O-CB 3.29Å; C65-A69 WeakPolarHBondContact O-CB 2.99Å; C65-A69 PolarHBondContact O-N 2.66Å; A69-V72 PolarHBondContact O-N 2.89Å; A69-F73 WeakPolarHBondContact O-CB 3.3Å; A69-F73 PolarHBondContact O-N 3.44Å; A69-V89 HydrophobicContact CB-CG1 3.77Å
70	W	97.5	Very high	96.7	Very high	114 Å²	114	65.3 Å²	65.3	43%	0.432	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-40	175.6	-90.8	102.3	0	0	0	112.8	R66 Y67 F73 S74	R66-W70 WeakPolarHBondContact O-CB 3.48Å; R66-W70 VanDerWaalsContact O-CD1 3.27Å; R66-W70 PolarHBondContact O-N 2.78Å; Y67-W70 PolarHBondContact O-N 3.07Å; W70-F73 AromaticContact CE3-CD1 3.86Å; W70-F73 HydrophobicContact CE3-CD1 3.86Å; W70-F73 HydrophobicContact CH2-CD1 4.5Å; W70-F73 AromaticContact CZ3-CD1 3.64Å; W70-F73 HydrophobicContact CZ3-CD1 3.64Å; W70-F73 AromaticContact CZ3-CE1 3.95Å; W70-F73 HydrophobicContact CZ3-CE1 3.95Å; W70-F73 WeakPolarHBondContact O-CB 3.28Å; W70-F73 PolarHBondContact O-N 3.26Å; W70-S74 PolarHBondContact O-N 3Å; W70-S74 PolarHBondContact O-OG 2.88Å
71	R	97.9	Very high	96.8	Very high	158 Å²	158	67.5 Å²	67.5	60%	0.596	33%	0.326	S	S	*	.	H	α-helix	trans	-59.5	-49	174.9	-174.9	-179.6	-61	167.6	0.6	111.3	Y67 C68 F73 S74 D75	Y67-R71 PolarHBondContact O-N 2.62Å; C68-R71 PolarHBondContact O-N 3.06Å; R71-F73 VanDerWaalsContact C-N 3.29Å; R71-F73 PolarHBondContact O-N 2.79Å; R71-S74 PolarHBondContact O-N 3.32Å; R71-D75 VanDerWaalsContact CG-OD2 3.24Å; R71-D75 WeakPolarHBondContact CG-OD2 3.44Å; R71-D75 WeakPolarHBondContact O-CB 3.46Å; R71-D75 PolarHBondContact O-N 2.73Å
72	V	97.7	Very high	96.9	Very high	20 Å²	20	67.6 Å²	67.6	12%	0.121	33%	0.331	C	S	.	.	H	α-helix	trans	-59.4	-41.7	176.5	171.1	0	0	0	0	111.6	I46 C68 A69 D75 T76 A77 K78 P80 I86	I46-V72 HydrophobicContact CD1-CG2 3.82Å; C68-V72 WeakPolarHBondContact O-CG2 3.41Å; C68-V72 PolarHBondContact O-N 3.17Å; A69-V72 PolarHBondContact O-N 2.89Å; V72-D75 PolarHBondContact O-N 3.27Å; V72-T76 PolarHBondContact O-N 3.03Å; V72-T76 PolarHBondContact O-OG1 3.46Å; V72-A77 PolarHBondContact O-N 3.16Å; V72-K78 VanDerWaalsContact CG1-O 3.23Å; V72-K78 WeakPolarHBondContact CG1-O 3.39Å; V72-P80 HydrophobicContact CG1-CG 3.91Å; V72-P80 HydrophobicContact CG2-CG 4.04Å; V72-I86 HydrophobicContact CG1-CD1 3.86Å
73	F	97.5	Very high	97	Very high	58 Å²	58	74.8 Å²	74.8	25%	0.254	35%	0.353	S	S	.	.	H	α-helix	trans	-61.1	-44.4	177.2	-176.2	-111.6	0	0	0	112.1	A69 W70 R71 A77 I86 V89	A69-F73 WeakPolarHBondContact O-CB 3.3Å; A69-F73 PolarHBondContact O-N 3.44Å; W70-F73 AromaticContact CE3-CD1 3.86Å; W70-F73 HydrophobicContact CE3-CD1 3.86Å; W70-F73 HydrophobicContact CH2-CD1 4.5Å; W70-F73 AromaticContact CZ3-CD1 3.64Å; W70-F73 HydrophobicContact CZ3-CD1 3.64Å; W70-F73 AromaticContact CZ3-CE1 3.95Å; W70-F73 HydrophobicContact CZ3-CE1 3.95Å; W70-F73 WeakPolarHBondContact O-CB 3.28Å; W70-F73 PolarHBondContact O-N 3.26Å; R71-F73 VanDerWaalsContact C-N 3.29Å; R71-F73 PolarHBondContact O-N 2.79Å; F73-A77 WeakPolarHBondContact O-CA 3.23Å; F73-A77 WeakPolarHBondContact O-CB 3.22Å; F73-A77 PolarHBondContact O-N 3.47Å; F73-I86 HydrophobicContact CD2-CB 3.86Å; F73-I86 HydrophobicContact CD2-CG2 3.48Å; F73-I86 VanDerWaalsContact CD2-CG2 3.48Å; F73-I86 HydrophobicContact CE2-CB 4.29Å; F73-I86 HydrophobicContact CE2-CG2 3.92Å; F73-I86 WeakPolarHBondContact CE2-O 3.31Å; F73-V89 HydrophobicContact CB-CG2 3.85Å; F73-V89 HydrophobicContact CD2-CG2 4.32Å; F73-V89 HydrophobicContact CG-CG2 4.03Å
74	S	97.4	Very high	97.1	Very high	90 Å²	90	77.7 Å²	77.7	63%	0.629	36%	0.363	S	S	*	.	H	α-helix	trans	-70.5	-39.4	177.9	-61.1	0	0	0	0	113.4	W70 R71	W70-S74 PolarHBondContact O-N 3Å; W70-S74 PolarHBondContact O-OG 2.88Å; R71-S74 PolarHBondContact O-N 3.32Å
75	D	97.4	Very high	97.3	Very high	119 Å²	119	82 Å²	82	64%	0.636	38%	0.383	S	S	*	.	H	α-helix	trans	-82	-46.6	-171.5	-65.7	-14.6	0	0	0	112.3	R71 V72	R71-D75 VanDerWaalsContact CG-OD2 3.24Å; R71-D75 WeakPolarHBondContact CG-OD2 3.44Å; R71-D75 WeakPolarHBondContact O-CB 3.46Å; R71-D75 PolarHBondContact O-N 2.73Å; V72-D75 PolarHBondContact O-N 3.27Å
76	T	97	Very high	97.4	Very high	84 Å²	84	82.1 Å²	82.1	52%	0.515	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-22.7	-171.2	63.8	0	0	0	0	113.6	V72 K78	V72-T76 PolarHBondContact O-N 3.03Å; V72-T76 PolarHBondContact O-OG1 3.46Å; T76-K78 PolarHBondContact O-N 2.85Å; T76-K78 PolarHBondContact OG1-N 3.41Å
77	A	97	Very high	97.4	Very high	20 Å²	20	82.1 Å²	82.1	17%	0.165	39%	0.39	C	S	.	.			trans	49.1	29.2	-171.6	0	0	0	0	0	113.6	V72 F73 Q85 I86	V72-A77 PolarHBondContact O-N 3.16Å; F73-A77 WeakPolarHBondContact O-CA 3.23Å; F73-A77 WeakPolarHBondContact O-CB 3.22Å; F73-A77 PolarHBondContact O-N 3.47Å; A77-Q85 VanDerWaalsContact CB-NE2 3.26Å; A77-Q85 CarbonylContact O-C 3.5Å; A77-Q85 WeakPolarHBondContact O-CA 3.39Å; A77-Q85 VanDerWaalsContact O-CD 3.28Å; A77-Q85 PolarHBondContact O-NE2 3.37Å; A77-Q85 VanDerWaalsContact O-NE2 3.16Å; A77-I86 PolarHBondContact O-N 3.05Å
78	K	97.9	Very high	97.4	Very high	112 Å²	112	77.1 Å²	77.1	49%	0.487	38%	0.379	S	S	.	.	B	Isolated β-bridge	trans	-125.7	136.2	177.5	-71	-178.1	-176.5	-175.6	0	111	V72 T76 W84 I86	V72-K78 VanDerWaalsContact CG1-O 3.23Å; V72-K78 WeakPolarHBondContact CG1-O 3.39Å; T76-K78 PolarHBondContact O-N 2.85Å; T76-K78 PolarHBondContact OG1-N 3.41Å; K78-W84 CarbonylContact C-O 3.6Å; K78-W84 WeakPolarHBondContact CA-O 3.36Å; K78-I86 VanDerWaalsContact C-CD1 3.47Å
79	C	97.6	Very high	97.4	Very high	1 Å²	1	78 Å²	78	1%	0.007	38%	0.384	C	S	.	.			trans	-61.9	127.4	178.8	179	0	0	0	0	110.5	L56 C59 H61 V81 C82 R83 W84 I86	L56-C79 HydrophobicContact CD1-CB 4.07Å; C59-C79 VanDerWaalsContact SG-SG 3.61Å; H61-C79 PolarHBondContact ND1-SG 3.22Å; H61-C79 VanDerWaalsContact ND1-SG 3.39Å; C79-V81 PolarHBondContact O-N 2.98Å; C79-C82 VanDerWaalsContact SG-SG 3.61Å; C79-R83 WeakPolarHBondContact O-CA 3.24Å; C79-R83 PolarHBondContact O-N 3.48Å; C79-W84 PolarHBondContact N-O 2.75Å; C79-I86 HydrophobicContact CB-CG1 4.41Å
80	P	96.6	Very high	97.2	Very high	66 Å²	66	79.5 Å²	79.5	43%	0.429	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20.5	-180	-22.2	34.2	0	0	0	113.7	F64 V72	F64-P80 HydrophobicContact CE1-CB 4.21Å; F64-P80 HydrophobicContact CE1-CG 3.9Å; F64-P80 HydrophobicContact CE2-CG 4.27Å; F64-P80 HydrophobicContact CZ-CB 3.82Å; F64-P80 HydrophobicContact CZ-CG 3.58Å; V72-P80 HydrophobicContact CG1-CG 3.91Å; V72-P80 HydrophobicContact CG2-CG 4.04Å
81	V	96.6	Very high	97	Very high	70 Å²	70	78.8 Å²	78.8	42%	0.424	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-57.4	-178.5	-174.4	0	0	0	0	111.7	H61 Y63 F64 C79	H61-V81 HydrophobicContact CB-CG2 4.27Å; Y63-V81 HydrophobicContact CD2-CG2 3.72Å; Y63-V81 HydrophobicContact CE2-CG1 4.47Å; Y63-V81 HydrophobicContact CE2-CG2 4.07Å; F64-V81 HydrophobicContact CE2-CG2 4.27Å; F64-V81 HydrophobicContact CZ-CG2 3.92Å; C79-V81 PolarHBondContact O-N 2.98Å
82	C	97.7	Very high	96.4	Very high	49 Å²	49	72.5 Å²	72.5	33%	0.331	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-0.8	-173.2	65	0	0	0	0	114.5	C59 H61 C79 W84	C59-C82 WeakPolarHBondContact CB-SG 3.21Å; H61-C82 VanDerWaalsContact CE1-CB 3.48Å; H61-C82 WeakPolarHBondContact CE1-CB 3.26Å; H61-C82 PolarHBondContact CE1-SG 3.29Å; H61-C82 PolarHBondContact ND1-SG 2.92Å; H61-C82 VanDerWaalsContact ND1-SG 3.44Å; C79-C82 VanDerWaalsContact SG-SG 3.61Å; C82-W84 PolarHBondContact O-N 2.99Å
83	R	97.1	Very high	94.9	Very high	200 Å²	200	79.4 Å²	79.4	76%	0.755	42%	0.419	S	S	*	.			trans	60.8	8.7	-178.7	-53.9	-170.3	178.1	94.1	-0	115.9	C79	C79-R83 WeakPolarHBondContact O-CA 3.24Å; C79-R83 PolarHBondContact O-N 3.48Å
84	W	97.7	Very high	93.1	Very high	165 Å²	165	79.2 Å²	79.2	63%	0.625	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-66.1	148.7	174.8	-141.4	-81.8	0	0	0	111.5	C59 K78 C79 C82 I86	C59-W84 HydrophobicContact CB-CB 4.14Å; K78-W84 CarbonylContact C-O 3.6Å; K78-W84 WeakPolarHBondContact CA-O 3.36Å; C79-W84 PolarHBondContact N-O 2.75Å; C82-W84 PolarHBondContact O-N 2.99Å; W84-I86 PolarHBondContact O-N 3.46Å
85	Q	98.1	Very high	90.4	Very high	97 Å²	97	80.9 Å²	80.9	45%	0.453	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-60.9	132.3	173.8	-167.6	65.9	26.5	0	0	109.9	P58 A77	P58-Q85 WeakPolarHBondContact CD-O 3.38Å; A77-Q85 VanDerWaalsContact CB-NE2 3.26Å; A77-Q85 CarbonylContact O-C 3.5Å; A77-Q85 WeakPolarHBondContact O-CA 3.39Å; A77-Q85 VanDerWaalsContact O-CD 3.28Å; A77-Q85 PolarHBondContact O-NE2 3.37Å; A77-Q85 VanDerWaalsContact O-NE2 3.16Å
86	I	98.1	Very high	88.2	Confident	5 Å²	5	80.8 Å²	80.8	3%	0.026	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-90.5	126.9	174.5	-54.3	166.2	0	0	0	107.3	L56 V57 V72 F73 A77 K78 C79 W84 A88 V89	L56-I86 HydrophobicContact CB-CG1 4.43Å; L56-I86 HydrophobicContact CB-CG2 4.44Å; L56-I86 HydrophobicContact CD1-CD1 3.82Å; L56-I86 HydrophobicContact CD1-CG1 4.26Å; L56-I86 HydrophobicContact CD2-CD1 4.06Å; L56-I86 HydrophobicContact CD2-CG2 4.24Å; L56-I86 HydrophobicContact CG-CD1 4.41Å; V57-I86 WeakPolarHBondContact O-CA 3.03Å; V72-I86 HydrophobicContact CG1-CD1 3.86Å; F73-I86 HydrophobicContact CD2-CB 3.86Å; F73-I86 HydrophobicContact CD2-CG2 3.48Å; F73-I86 VanDerWaalsContact CD2-CG2 3.48Å; F73-I86 HydrophobicContact CE2-CB 4.29Å; F73-I86 HydrophobicContact CE2-CG2 3.92Å; F73-I86 WeakPolarHBondContact CE2-O 3.31Å; A77-I86 PolarHBondContact O-N 3.05Å; K78-I86 VanDerWaalsContact C-CD1 3.47Å; C79-I86 HydrophobicContact CB-CG1 4.41Å; W84-I86 PolarHBondContact O-N 3.46Å; I86-A88 WeakPolarHBondContact CG2-O 3.4Å; I86-V89 HydrophobicContact CG2-CG2 4.45Å
87	E	97.6	Very high	85.9	Confident	138 Å²	138	81.2 Å²	81.2	65%	0.645	46%	0.46	S	S	*	.			trans	-99.7	-34.2	175.6	-66.2	174	-166.5	0	0	111.2	V57	V57-E87 PolarHBondContact O-N 2.91Å
88	A	96.2	Very high	83.6	Confident	44 Å²	44	87.7 Å²	87.7	36%	0.364	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	156.6	177.8	0	0	0	0	0	112.3	V57 I86	V57-A88 HydrophobicContact CB-CB 4.2Å; V57-A88 PolarHBondContact N-O 3.46Å; I86-A88 WeakPolarHBondContact CG2-O 3.4Å
89	V	96.6	Very high	81.3	Confident	27 Å²	27	92.8 Å²	92.8	16%	0.164	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	119.9	170.8	-178.2	0	0	0	0	108.4	T54 L56 A69 F73 I86	T54-V89 HydrophobicContact CG2-CG1 4.32Å; L56-V89 HydrophobicContact CD2-CG2 4.06Å; A69-V89 HydrophobicContact CB-CG1 3.77Å; F73-V89 HydrophobicContact CB-CG2 3.85Å; F73-V89 HydrophobicContact CD2-CG2 4.32Å; F73-V89 HydrophobicContact CG-CG2 4.03Å; I86-V89 HydrophobicContact CG2-CG2 4.45Å
90	A	94.9	Very high	79	Confident	32 Å²	32	98.1 Å²	98.1	26%	0.264	54%	0.54	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	156.6	-178.7	0	0	0	0	0	110.7	T54 R55 V57	T54-A90 CarbonylContact C-O 3.49Å; T54-A90 VanDerWaalsContact CA-O 3.29Å; T54-A90 WeakPolarHBondContact CA-O 3.37Å; T54-A90 WeakPolarHBondContact CB-O 3.18Å; R55-A90 PolarHBondContact N-O 3.25Å; R55-A90 PolarHBondContact O-N 3.23Å; V57-A90 HydrophobicContact CG2-CB 4.3Å
91	P	92.5	Very high	76.9	Confident	99 Å²	99	103.1 Å²	103.1	64%	0.643	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.4	143.7	167.6	25.8	-31.9	0	0	0	111.1	N53	N53-P91 WeakPolarHBondContact O-CA 3.45Å
92	A	84.8	Confident	74.7	Confident	27 Å²	27	108.3 Å²	108.3	22%	0.223	58%	0.578	C	S	.	*	S	Bend	trans	-76.8	-20.5	-176.4	0	0	0	0	0	113.8	N53 R55 T62	N53-A92 PolarHBondContact O-N 3.22Å; R55-A92 HydrophobicContact CB-CB 4.47Å; T62-A92 HydrophobicContact CG2-CB 3.77Å
93	Q	65.9	Low	72.9	Confident	164 Å²	164	109.5 Å²	109.5	77%	0.766	60%	0.598	S	S	*	*	S	Bend	trans	-133.7	138.7	179.3	-64	-78.9	-26.9	0	0	108.4
94	G	59.5	Low	70.9	Confident	55 Å²	55	109.3 Å²	109.3	57%	0.567	63%	0.627	S	S	*	*	S	Bend	trans	-62.6	171	157.7	0	0	0	0	0	110.1
95	P	42.1	Very low	69.5	Low	125 Å²	125	106.5 Å²	106.5	81%	0.812	63%	0.627	S	S	*	*	S	Bend	trans	-49.7	131.2	-176.5	21	-31.3	0	0	0	109.7	A97	P95-A97 PolarHBondContact O-N 3.47Å
96	P	50.8	Low	68	Low	117 Å²	117	107 Å²	107	76%	0.76	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-57.7	118.3	177.7	23.8	-30.4	0	0	0	106.1	L98	P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 3.26Å
97	A	48	Very low	66.3	Low	92 Å²	92	112.7 Å²	112.7	76%	0.76	67%	0.67	S	S	*	*			trans	-55.5	104.2	169.9	0	0	0	0	0	105.7	P95 R99	P95-A97 PolarHBondContact O-N 3.47Å; A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 3.27Å
98	L	49	Very low	64.5	Low	157 Å²	157	111.2 Å²	111.2	82%	0.822	67%	0.672	S	S	*	*			trans	-50.2	107.7	165.5	-75.2	164.6	0	0	0	104.4	P96 V100	P96-L98 VanDerWaalsContact C-N 3.29Å; P96-L98 PolarHBondContact O-N 3.26Å; L98-V100 PolarHBondContact O-N 3.44Å
99	R	50.5	Low	62.5	Low	218 Å²	218	115.4 Å²	115.4	82%	0.823	69%	0.691	S	S	*	*			trans	-63	95.1	161.4	-76.9	-177.9	141.7	89.6	0.6	104.1	A97 E101	A97-R99 VanDerWaalsContact C-N 3.32Å; A97-R99 PolarHBondContact O-N 3.27Å; R99-E101 VanDerWaalsContact C-N 3.27Å; R99-E101 PolarHBondContact O-N 3.35Å
100	V	49.6	Very low	60.2	Low	114 Å²	114	121.3 Å²	121.3	69%	0.691	73%	0.726	S	S	*	*			trans	-62	104.1	159	172.1	0	0	0	0	103.4	L98 E102	L98-V100 PolarHBondContact O-N 3.44Å; V100-E102 PolarHBondContact O-N 3.14Å
101	E	50.8	Low	57.8	Low	170 Å²	170	127.6 Å²	127.6	79%	0.794	76%	0.759	S	S	*	*			trans	-66.2	86.3	168.5	-53	-92.9	119.1	0	0	105.3	R99 G103	R99-E101 VanDerWaalsContact C-N 3.27Å; R99-E101 PolarHBondContact O-N 3.35Å; E101-G103 PolarHBondContact O-N 3.28Å
102	E	51.5	Low	55.1	Low	180 Å²	180	129.8 Å²	129.8	84%	0.841	77%	0.768	S	S	*	*			trans	-71.8	122	173.1	-147.2	170.7	121.3	0	0	107.2	V100	V100-E102 PolarHBondContact O-N 3.14Å
103	G	58.5	Low	52.6	Low	74 Å²	74	138.4 Å²	138.4	76%	0.763	81%	0.814	S	S	*	*			trans	-68.6	167.5	-166	0	0	0	0	0	115.5	E101	E101-G103 PolarHBondContact O-N 3.28Å
104	S	55.2	Low	51.4	Low	195 Å²	195	136.1 Å²	136.1	100%	1.364	82%	0.818	S	S	*	*			trans	-147.9	0	151.4	-174.9	0	0	0	0	110.1

Retrieved 104 of 104 residues in 46.7 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).