A0A087WXG6_HUMAN Loading...

Heat shock transcription factor 1

AlphaFold DB , UniProt , Accession A0A087WXG6, Species HUMAN (Homo sapiens, Human), Gene HSF1, Length 64 aa.

						>A0A087WXG6_HUMAN|A0A087WXG6|HSF1
MDLPVGPGAAGPSNVPAFLTKLWTLVSDPDTDALICWSPLPGSRLVYMVRPCKTGQLRFAEVNQ
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.1	Low	47.7	Very low	243 Å²	243	116.6 Å²	116.6	100%	1.197	77%	0.773	S	S	*	*				0	100.7	0	44.5	-95.5	-117.9	0	0	107.6
2	D	40.1	Very low	47.4	Very low	146 Å²	146	117.8 Å²	117.8	78%	0.781	78%	0.779	S	S	*	*			trans	-129.9	120.6	-170.5	-166.6	-103.4	0	0	0	111.9
3	L	52	Low	47.4	Very low	145 Å²	145	115.6 Å²	115.6	76%	0.759	77%	0.767	S	S	*	*			trans	65.6	146.2	160.7	-93.1	86.8	0	0	0	124.2
4	P	48.1	Very low	47.3	Very low	114 Å²	114	118.9 Å²	118.9	74%	0.74	77%	0.774	S	S	*	*			trans	-80.8	134.2	-168.6	32.9	-34.1	0	0	0	112.9	G6	P4-G6 PolarHBondContact O-N 3.04Å
5	V	48.4	Very low	47.5	Very low	137 Å²	137	115.6 Å²	115.6	83%	0.83	75%	0.751	S	S	*	*			trans	-63.7	94.6	166.3	58.6	0	0	0	0	109.3
6	G	47.2	Very low	48	Very low	46 Å²	46	113.1 Å²	113.1	47%	0.474	74%	0.735	S	S	.	*			trans	-63.5	145.5	165.8	0	0	0	0	0	110	P4 G8	P4-G6 PolarHBondContact O-N 3.04Å; G6-G8 PolarHBondContact O-N 2.84Å
7	P	46.3	Very low	48.3	Very low	147 Å²	147	111.1 Å²	111.1	96%	0.955	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	82.8	176.2	29.2	-32.5	0	0	0	109.3
8	G	48.8	Very low	48.7	Very low	67 Å²	67	113.1 Å²	113.1	69%	0.691	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164.3	8.7	-176.5	0	0	0	0	0	114.3	G6 A10	G6-G8 PolarHBondContact O-N 2.84Å; G8-A10 PolarHBondContact O-N 2.94Å
9	A	43.3	Very low	49.3	Very low	91 Å²	91	111.1 Å²	111.1	75%	0.752	71%	0.707	S	S	*	*			trans	-81.1	66.7	172.4	0	0	0	0	0	110.1	G11	A9-G11 PolarHBondContact O-N 3.28Å
10	A	47.3	Very low	49.8	Very low	94 Å²	94	109.9 Å²	109.9	78%	0.777	70%	0.699	S	S	*	*			trans	-63.9	113.7	147.6	0	0	0	0	0	105.3	G8	G8-A10 PolarHBondContact O-N 2.94Å
11	G	49.7	Very low	50.1	Low	53 Å²	53	112.2 Å²	112.2	55%	0.546	70%	0.698	S	S	.	*			trans	-55.8	176.7	172.7	0	0	0	0	0	111.4	A9 S13	A9-G11 PolarHBondContact O-N 3.28Å; G11-S13 PolarHBondContact O-N 3.27Å
12	P	44.4	Very low	50.6	Low	130 Å²	130	102.6 Å²	102.6	84%	0.844	65%	0.651	S	S	*	*	S	Bend	trans	-70.6	53.6	-176.7	32.6	-37.2	0	0	0	112.4	N14	P12-N14 PolarHBondContact O-N 2.96Å
13	S	47.9	Very low	51.4	Low	90 Å²	90	103.7 Å²	103.7	63%	0.629	65%	0.645	S	S	*	*			trans	-66.8	108.3	151.2	-94.9	0	0	0	0	105.5	G11 V15	G11-S13 PolarHBondContact O-N 3.27Å; S13-V15 PolarHBondContact O-N 3.38Å
14	N	46.2	Very low	51.7	Low	161 Å²	161	100.7 Å²	100.7	86%	0.861	63%	0.633	S	S	*	*			trans	-62.1	29.8	166.2	-78.4	-37.4	0	0	0	112.5	P12 P16	P12-N14 PolarHBondContact O-N 2.96Å; N14-P16 WeakPolarHBondContact O-CD 3.35Å
15	V	50	Low	52.1	Low	70 Å²	70	99 Å²	99	42%	0.424	62%	0.617	S	S	.	*			trans	-94.9	94.7	177	-177.3	0	0	0	0	103.6	S13 A17 L19	S13-V15 PolarHBondContact O-N 3.38Å; V15-A17 PolarHBondContact O-N 3.31Å; V15-L19 HydrophobicContact CG1-CB 3.43Å; V15-L19 VanDerWaalsContact CG1-CB 3.43Å; V15-L19 HydrophobicContact CG1-CD1 3.74Å; V15-L19 HydrophobicContact CG1-CG 4.22Å
16	P	55.6	Low	52.8	Low	76 Å²	76	93.4 Å²	93.4	49%	0.494	58%	0.583	S	S	.	*			trans	-50.1	142	-179.1	16.2	-31.4	0	0	0	109.7	N14 F18 L19	N14-P16 WeakPolarHBondContact O-CD 3.35Å; P16-F18 HydrophobicContact CB-CB 4.49Å; P16-F18 CarbonylContact O-C 3.36Å; P16-F18 PolarHBondContact O-N 3.27Å; P16-L19 HydrophobicContact CG-CD1 4.07Å; P16-L19 HydrophobicContact CG-CG 4.23Å; P16-L19 WeakPolarHBondContact O-CB 3.46Å; P16-L19 PolarHBondContact O-N 3.06Å
17	A	53.2	Low	53.2	Low	78 Å²	78	95.3 Å²	95.3	65%	0.645	59%	0.589	S	S	*	*	H	α-helix	trans	-49.5	-20.4	-177.4	0	0	0	0	0	114.3	V15 T20 K21	V15-A17 PolarHBondContact O-N 3.31Å; A17-T20 PolarHBondContact O-N 3.44Å; A17-K21 PolarHBondContact O-N 3.25Å
18	F	55.7	Low	53.6	Low	148 Å²	148	92.5 Å²	92.5	65%	0.649	57%	0.566	S	S	*	*	H	α-helix	trans	-56.2	-45.9	167.5	-177.4	-103.7	0	0	0	114.1	P16 K21 L22	P16-F18 HydrophobicContact CB-CB 4.49Å; P16-F18 CarbonylContact O-C 3.36Å; P16-F18 PolarHBondContact O-N 3.27Å; F18-K21 PolarHBondContact O-N 2.87Å; F18-L22 HydrophobicContact CE1-CD1 4.23Å; F18-L22 HydrophobicContact CZ-CD1 4.3Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.32Å
19	L	60.1	Low	54	Low	75 Å²	75	94.6 Å²	94.6	39%	0.393	57%	0.567	S	S	.	*	H	α-helix	trans	-70.2	-34.3	178.2	-71.4	176	0	0	0	112	V15 P16 L22 W23	V15-L19 HydrophobicContact CG1-CB 3.43Å; V15-L19 VanDerWaalsContact CG1-CB 3.43Å; V15-L19 HydrophobicContact CG1-CD1 3.74Å; V15-L19 HydrophobicContact CG1-CG 4.22Å; P16-L19 HydrophobicContact CG-CD1 4.07Å; P16-L19 HydrophobicContact CG-CG 4.23Å; P16-L19 WeakPolarHBondContact O-CB 3.46Å; P16-L19 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 3.41Å; L19-W23 WeakPolarHBondContact O-CB 3.4Å; L19-W23 PolarHBondContact O-N 3.16Å
20	T	59.1	Low	54.6	Low	87 Å²	87	97.2 Å²	97.2	53%	0.534	57%	0.569	S	S	.	*	H	α-helix	trans	-63.5	-44.3	174.6	-47.7	0	0	0	0	111.1	A17 W23 T24	A17-T20 PolarHBondContact O-N 3.44Å; T20-W23 PolarHBondContact O-N 3.27Å; T20-T24 PolarHBondContact O-N 3.19Å; T20-T24 VanDerWaalsContact O-N 3.11Å; T20-T24 PolarHBondContact O-OG1 3.45Å
21	K	54.9	Low	54.8	Low	158 Å²	158	94.1 Å²	94.1	69%	0.687	54%	0.54	S	S	*	.	H	α-helix	trans	-66.5	-38.8	174.4	-83.1	-178.1	167.8	-178.4	0	112.5	A17 F18 T24 L25	A17-K21 PolarHBondContact O-N 3.25Å; F18-K21 PolarHBondContact O-N 2.87Å; K21-T24 WeakPolarHBondContact CA-OG1 3.23Å; K21-T24 PolarHBondContact O-OG1 3.23Å; K21-L25 VanDerWaalsContact O-CB 3.3Å; K21-L25 WeakPolarHBondContact O-CB 3.3Å; K21-L25 PolarHBondContact O-N 3.43Å
22	L	63.6	Low	54.9	Low	41 Å²	41	95.3 Å²	95.3	22%	0.215	53%	0.534	C	S	.	.	H	α-helix	trans	-66.4	-39.2	176.3	-168.8	130.1	0	0	0	111.3	F18 L19 L25 V26	F18-L22 HydrophobicContact CE1-CD1 4.23Å; F18-L22 HydrophobicContact CZ-CD1 4.3Å; F18-L22 WeakPolarHBondContact O-CB 3.39Å; F18-L22 PolarHBondContact O-N 3.32Å; L19-L22 PolarHBondContact O-N 3.41Å; L22-L25 CarbonylContact O-C 3.53Å; L22-L25 PolarHBondContact O-N 3.16Å; L22-V26 WeakPolarHBondContact O-CB 3.47Å; L22-V26 PolarHBondContact O-N 2.77Å
23	W	58	Low	55.2	Low	169 Å²	169	93.3 Å²	93.3	64%	0.64	53%	0.529	S	S	*	.	H	α-helix	trans	-64.9	-42.6	176.6	-170.5	-82.2	0	0	0	112.2	L19 T20 L25 V26 S27	L19-W23 WeakPolarHBondContact O-CB 3.4Å; L19-W23 PolarHBondContact O-N 3.16Å; T20-W23 PolarHBondContact O-N 3.27Å; W23-L25 VanDerWaalsContact C-N 3.29Å; W23-L25 PolarHBondContact O-N 3.18Å; W23-V26 PolarHBondContact O-N 3.47Å; W23-S27 WeakPolarHBondContact O-CB 3.35Å; W23-S27 PolarHBondContact O-N 3.28Å
24	T	57.5	Low	55.6	Low	83 Å²	83	92.6 Å²	92.6	51%	0.509	52%	0.518	S	S	.	.	H	α-helix	trans	-61.3	-43.8	174.3	2.3	0	0	0	0	110.4	T20 K21 V26 S27 D28	T20-T24 PolarHBondContact O-N 3.19Å; T20-T24 VanDerWaalsContact O-N 3.11Å; T20-T24 PolarHBondContact O-OG1 3.45Å; K21-T24 WeakPolarHBondContact CA-OG1 3.23Å; K21-T24 PolarHBondContact O-OG1 3.23Å; T24-V26 PolarHBondContact O-N 3.33Å; T24-S27 PolarHBondContact O-N 3.05Å; T24-D28 PolarHBondContact O-N 3.48Å
25	L	57.6	Low	56.1	Low	77 Å²	77	85.3 Å²	85.3	40%	0.403	48%	0.478	S	S	.	.	H	α-helix	trans	-72.5	-24.9	-179.6	-154.6	139.7	0	0	0	113.4	K21 L22 W23 T31 I35	K21-L25 VanDerWaalsContact O-CB 3.3Å; K21-L25 WeakPolarHBondContact O-CB 3.3Å; K21-L25 PolarHBondContact O-N 3.43Å; L22-L25 CarbonylContact O-C 3.53Å; L22-L25 PolarHBondContact O-N 3.16Å; W23-L25 VanDerWaalsContact C-N 3.29Å; W23-L25 PolarHBondContact O-N 3.18Å; L25-T31 HydrophobicContact CD2-CG2 3.95Å; L25-T31 HydrophobicContact CG-CG2 3.88Å; L25-T31 VanDerWaalsContact O-CB 3.23Å; L25-T31 WeakPolarHBondContact O-CB 3.37Å; L25-T31 PolarHBondContact O-OG1 2.95Å; L25-I35 HydrophobicContact CD2-CD1 3.7Å; L25-I35 HydrophobicContact CD2-CG1 4.4Å
26	V	62	Low	56.3	Low	20 Å²	20	85 Å²	85	12%	0.121	48%	0.479	C	S	.	.	H	α-helix	trans	-81.5	-23.7	174	104.7	0	0	0	0	112.3	L22 W23 T24 I35 W37 Y47	L22-V26 WeakPolarHBondContact O-CB 3.47Å; L22-V26 PolarHBondContact O-N 2.77Å; W23-V26 PolarHBondContact O-N 3.47Å; T24-V26 PolarHBondContact O-N 3.33Å; V26-I35 HydrophobicContact CG2-CB 4.31Å; V26-I35 HydrophobicContact CG2-CD1 4.11Å; V26-I35 HydrophobicContact CG2-CG2 3.88Å; V26-W37 HydrophobicContact CB-CZ2 4.35Å; V26-W37 HydrophobicContact CG1-CZ2 3.86Å; V26-W37 HydrophobicContact CG2-CH2 4.42Å; V26-W37 HydrophobicContact CG2-CZ2 3.52Å; V26-Y47 HydrophobicContact CG2-CD1 4.3Å; V26-Y47 HydrophobicContact CG2-CE1 4.28Å
27	S	56.8	Low	56.5	Low	87 Å²	87	85.7 Å²	85.7	61%	0.608	47%	0.472	S	S	*	.	H	α-helix	trans	-85.8	-16.6	-179.9	-119.4	0	0	0	0	113.3	W23 T24	W23-S27 WeakPolarHBondContact O-CB 3.35Å; W23-S27 PolarHBondContact O-N 3.28Å; T24-S27 PolarHBondContact O-N 3.05Å
28	D	54.9	Low	56.4	Low	88 Å²	88	84 Å²	84	47%	0.471	46%	0.455	S	S	.	.			trans	-81.8	123.8	176.6	-99.7	-69.3	0	0	0	110.9	T24 D30 T31 D32	T24-D28 PolarHBondContact O-N 3.48Å; D28-D30 PolarHBondContact O-N 2.6Å; D28-T31 WeakPolarHBondContact CB-OG1 3.14Å; D28-T31 PolarHBondContact O-N 3.28Å; D28-T31 VanDerWaalsContact O-N 3.16Å; D28-T31 PolarHBondContact O-OG1 3.45Å; D28-D32 PolarHBondContact O-N 3.31Å
29	P	55.7	Low	56.3	Low	110 Å²	110	82.2 Å²	82.2	71%	0.714	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-18.9	-178.5	26.8	-33.7	0	0	0	113.6
30	D	55.6	Low	56.1	Low	147 Å²	147	83 Å²	83	79%	0.786	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-26.1	174.2	-101.4	-88.3	0	0	0	112.7	D28	D28-D30 PolarHBondContact O-N 2.6Å
31	T	53	Low	55.5	Low	28 Å²	28	85.3 Å²	85.3	17%	0.172	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-3.2	-179	36	0	0	0	0	113.3	L25 D28 A33 L34 I35	L25-T31 HydrophobicContact CD2-CG2 3.95Å; L25-T31 HydrophobicContact CG-CG2 3.88Å; L25-T31 VanDerWaalsContact O-CB 3.23Å; L25-T31 WeakPolarHBondContact O-CB 3.37Å; L25-T31 PolarHBondContact O-OG1 2.95Å; D28-T31 WeakPolarHBondContact CB-OG1 3.14Å; D28-T31 PolarHBondContact O-N 3.28Å; D28-T31 VanDerWaalsContact O-N 3.16Å; D28-T31 PolarHBondContact O-OG1 3.45Å; T31-A33 PolarHBondContact O-N 3.06Å; T31-L34 HydrophobicContact CG2-CD1 4.22Å; T31-L34 WeakPolarHBondContact O-CA 3.49Å; T31-L34 WeakPolarHBondContact O-CB 3.33Å; T31-L34 PolarHBondContact O-N 2.97Å; T31-I35 PolarHBondContact O-N 3.09Å
32	D	51.8	Low	55.7	Low	78 Å²	78	80.5 Å²	80.5	42%	0.417	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.9	169.2	-161.8	-94.8	0	0	0	111.8	D28 L34 I35	D28-D32 PolarHBondContact O-N 3.31Å; D32-L34 PolarHBondContact O-N 2.74Å; D32-I35 CarbonylContact O-C 3.53Å; D32-I35 PolarHBondContact O-N 3.22Å
33	A	50.6	Low	55.3	Low	88 Å²	88	84.8 Å²	84.8	73%	0.727	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-18.8	172.1	0	0	0	0	0	114	T31	T31-A33 PolarHBondContact O-N 3.06Å
34	L	55.2	Low	55.2	Low	76 Å²	76	83.4 Å²	83.4	40%	0.398	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-28.9	178.2	-61.7	173.2	0	0	0	112.5	T31 D32 R50 C52	T31-L34 HydrophobicContact CG2-CD1 4.22Å; T31-L34 WeakPolarHBondContact O-CA 3.49Å; T31-L34 WeakPolarHBondContact O-CB 3.33Å; T31-L34 PolarHBondContact O-N 2.97Å; D32-L34 PolarHBondContact O-N 2.74Å; L34-R50 PolarHBondContact O-N 2.81Å; L34-C52 HydrophobicContact CD2-CB 4.5Å
35	I	57.1	Low	55.4	Low	7 Å²	7	84.5 Å²	84.5	4%	0.036	50%	0.504	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	102.3	179.2	-52.7	175.6	0	0	0	108.2	L25 V26 T31 D32 Y47 V49	L25-I35 HydrophobicContact CD2-CD1 3.7Å; L25-I35 HydrophobicContact CD2-CG1 4.4Å; V26-I35 HydrophobicContact CG2-CB 4.31Å; V26-I35 HydrophobicContact CG2-CD1 4.11Å; V26-I35 HydrophobicContact CG2-CG2 3.88Å; T31-I35 PolarHBondContact O-N 3.09Å; D32-I35 CarbonylContact O-C 3.53Å; D32-I35 PolarHBondContact O-N 3.22Å; I35-Y47 HydrophobicContact CG2-CD1 4.49Å; I35-V49 HydrophobicContact CG1-CG1 4.42Å; I35-V49 HydrophobicContact CG1-CG2 4.26Å; I35-V49 HydrophobicContact CG2-CG2 4.31Å
36	C	54.9	Low	55.5	Low	65 Å²	65	82 Å²	82	44%	0.439	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128	-179.9	-163.8	0	0	0	0	109.7	M48	C36-M48 PolarHBondContact N-O 2.9Å; C36-M48 WeakPolarHBondContact O-CB 3.48Å; C36-M48 PolarHBondContact O-N 3.19Å
37	W	58.6	Low	55.5	Low	90 Å²	90	82.2 Å²	82.2	34%	0.341	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	120.4	172.3	-62	92.5	0	0	0	109.4	V26 L45 Y47	V26-W37 HydrophobicContact CB-CZ2 4.35Å; V26-W37 HydrophobicContact CG1-CZ2 3.86Å; V26-W37 HydrophobicContact CG2-CH2 4.42Å; V26-W37 HydrophobicContact CG2-CZ2 3.52Å; W37-L45 HydrophobicContact CZ3-CB 4.37Å; W37-L45 HydrophobicContact CZ3-CD1 4.39Å; W37-Y47 HydrophobicContact CE3-CD1 4.49Å; W37-Y47 HydrophobicContact CE3-CE1 4.38Å; W37-Y47 AromaticContact CH2-CD1 3.82Å; W37-Y47 HydrophobicContact CH2-CD1 3.82Å; W37-Y47 AromaticContact CH2-CE1 3.04Å; W37-Y47 HydrophobicContact CH2-CE1 3.04Å; W37-Y47 HydrophobicContact CH2-CE2 4.14Å; W37-Y47 AromaticContact CH2-CZ 3.24Å; W37-Y47 VanDerWaalsContact CH2-OH 3.32Å; W37-Y47 WeakPolarHBondContact CH2-OH 3.32Å; W37-Y47 HydrophobicContact CZ2-CD1 4.28Å; W37-Y47 AromaticContact CZ2-CE1 3.74Å; W37-Y47 HydrophobicContact CZ2-CE1 3.74Å; W37-Y47 AromaticContact CZ3-CD1 3.9Å; W37-Y47 HydrophobicContact CZ3-CD1 3.9Å; W37-Y47 HydrophobicContact CZ3-CD2 4.32Å; W37-Y47 AromaticContact CZ3-CE1 3.41Å; W37-Y47 HydrophobicContact CZ3-CE1 3.41Å; W37-Y47 VanDerWaalsContact CZ3-CE1 3.41Å; W37-Y47 AromaticContact CZ3-CE2 3.73Å; W37-Y47 HydrophobicContact CZ3-CE2 3.73Å; W37-Y47 HydrophobicContact CZ3-CG 4.36Å; W37-Y47 AromaticContact CZ3-CZ 3.31Å
38	S	51.9	Low	55.5	Low	42 Å²	42	81.4 Å²	81.4	29%	0.294	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.3	171.1	-164.7	0	0	0	0	109.3	L40	S38-L40 PolarHBondContact O-N 2.67Å
39	P	52.8	Low	55.6	Low	111 Å²	111	79.5 Å²	79.5	72%	0.721	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	109.9	172.3	27.8	-30.2	0	0	0	108.6
40	L	57	Low	55.2	Low	91 Å²	91	82.8 Å²	82.8	48%	0.476	47%	0.468	S	S	.	.			trans	-89	142.1	166.1	-76.5	99.3	0	0	0	109.9	S38 G42 V46	S38-L40 PolarHBondContact O-N 2.67Å; L40-G42 PolarHBondContact O-N 3.16Å; L40-V46 HydrophobicContact CD1-CB 4.3Å; L40-V46 HydrophobicContact CD1-CG2 4.15Å
41	P	46.8	Very low	54.9	Low	136 Å²	136	77.6 Å²	77.6	88%	0.883	44%	0.443	S	S	*	.	S	Bend	trans	-70.1	98.1	178.4	27.8	-32.3	0	0	0	109.7
42	G	59.2	Low	54.7	Low	57 Å²	57	81 Å²	81	59%	0.588	47%	0.466	S	S	*	.	S	Bend	trans	145.9	37.2	175.5	0	0	0	0	0	116.3	L40 R44	L40-G42 PolarHBondContact O-N 3.16Å; G42-R44 VanDerWaalsContact C-N 3.3Å; G42-R44 PolarHBondContact O-N 3.41Å; G42-R44 VanDerWaalsContact O-N 3.16Å
43	S	54.2	Low	54.4	Low	131 Å²	131	87.1 Å²	87.1	92%	0.916	49%	0.489	S	S	*	.	S	Bend	trans	67.1	7.1	170.6	52.1	0	0	0	0	118.4
44	R	56.6	Low	54.3	Low	139 Å²	139	88.8 Å²	88.8	53%	0.525	49%	0.491	S	S	.	.			trans	-104.2	102	170.4	-99.4	178	175.7	163.3	-3.7	110.6	G42 V46 E61	G42-R44 VanDerWaalsContact C-N 3.3Å; G42-R44 PolarHBondContact O-N 3.41Å; G42-R44 VanDerWaalsContact O-N 3.16Å; R44-V46 HydrophobicContact CB-CG2 4.37Å; R44-V46 PolarHBondContact O-N 2.77Å; R44-V46 VanDerWaalsContact O-N 3.16Å; R44-E61 IonicContact CZ-OE1 3Å; R44-E61 VanDerWaalsContact CZ-OE1 3.29Å; R44-E61 IonicContact CZ-OE2 3.05Å; R44-E61 VanDerWaalsContact NE-CD 3.29Å; R44-E61 IonicContact NE-OE1 3.28Å; R44-E61 PolarHBondContact NE-OE1 2.73Å; R44-E61 IonicContact NE-OE2 3.48Å; R44-E61 PolarHBondContact NE-OE2 3.22Å; R44-E61 IonicContact NH1-OE2 3.45Å; R44-E61 PolarHBondContact NH1-OE2 2.65Å; R44-E61 IonicContact NH2-OE1 2.67Å; R44-E61 PolarHBondContact NH2-OE1 2.73Å; R44-E61 IonicContact NH2-OE2 3.29Å; R44-E61 PolarHBondContact NH2-OE2 2.96Å
45	L	61	Low	53.7	Low	106 Å²	106	88.5 Å²	88.5	56%	0.555	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	105.2	162.3	-64.5	178.6	0	0	0	107.3	W37	W37-L45 HydrophobicContact CZ3-CB 4.37Å; W37-L45 HydrophobicContact CZ3-CD1 4.39Å
46	V	59.8	Low	53.1	Low	26 Å²	26	94.5 Å²	94.5	16%	0.158	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.4	173.8	-176.4	0	0	0	0	108	L40 R44 M48 F59	L40-V46 HydrophobicContact CD1-CB 4.3Å; L40-V46 HydrophobicContact CD1-CG2 4.15Å; R44-V46 HydrophobicContact CB-CG2 4.37Å; R44-V46 PolarHBondContact O-N 2.77Å; R44-V46 VanDerWaalsContact O-N 3.16Å; V46-M48 PolarHBondContact O-N 3.48Å; V46-F59 HydrophobicContact CG1-CB 4.43Å; V46-F59 HydrophobicContact CG1-CD1 4.08Å
47	Y	61.9	Low	52.9	Low	23 Å²	23	96.3 Å²	96.3	9%	0.09	54%	0.539	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	108.6	175.9	-64.6	-111.8	0	0	0	107.3	V26 I35 W37 V49 V62	V26-Y47 HydrophobicContact CG2-CD1 4.3Å; V26-Y47 HydrophobicContact CG2-CE1 4.28Å; I35-Y47 HydrophobicContact CG2-CD1 4.49Å; W37-Y47 HydrophobicContact CE3-CD1 4.49Å; W37-Y47 HydrophobicContact CE3-CE1 4.38Å; W37-Y47 AromaticContact CH2-CD1 3.82Å; W37-Y47 HydrophobicContact CH2-CD1 3.82Å; W37-Y47 AromaticContact CH2-CE1 3.04Å; W37-Y47 HydrophobicContact CH2-CE1 3.04Å; W37-Y47 HydrophobicContact CH2-CE2 4.14Å; W37-Y47 AromaticContact CH2-CZ 3.24Å; W37-Y47 VanDerWaalsContact CH2-OH 3.32Å; W37-Y47 WeakPolarHBondContact CH2-OH 3.32Å; W37-Y47 HydrophobicContact CZ2-CD1 4.28Å; W37-Y47 AromaticContact CZ2-CE1 3.74Å; W37-Y47 HydrophobicContact CZ2-CE1 3.74Å; W37-Y47 AromaticContact CZ3-CD1 3.9Å; W37-Y47 HydrophobicContact CZ3-CD1 3.9Å; W37-Y47 HydrophobicContact CZ3-CD2 4.32Å; W37-Y47 AromaticContact CZ3-CE1 3.41Å; W37-Y47 HydrophobicContact CZ3-CE1 3.41Å; W37-Y47 VanDerWaalsContact CZ3-CE1 3.41Å; W37-Y47 AromaticContact CZ3-CE2 3.73Å; W37-Y47 HydrophobicContact CZ3-CE2 3.73Å; W37-Y47 HydrophobicContact CZ3-CG 4.36Å; W37-Y47 AromaticContact CZ3-CZ 3.31Å; Y47-V49 PolarHBondContact O-N 3.45Å; Y47-V62 HydrophobicContact CD2-CB 4.15Å; Y47-V62 HydrophobicContact CD2-CG2 3.56Å; Y47-V62 HydrophobicContact CE1-CG2 4.49Å; Y47-V62 HydrophobicContact CE2-CB 3.46Å; Y47-V62 VanDerWaalsContact CE2-CB 3.46Å; Y47-V62 HydrophobicContact CE2-CG1 4.3Å; Y47-V62 HydrophobicContact CE2-CG2 2.97Å; Y47-V62 VanDerWaalsContact CZ-CG2 3.49Å
48	M	56	Low	52.6	Low	71 Å²	71	101 Å²	101	35%	0.35	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.5	90.9	170.1	-62.5	-171.5	-171.3	0	0	108.6	C36 V46 R50	C36-M48 PolarHBondContact N-O 2.9Å; C36-M48 WeakPolarHBondContact O-CB 3.48Å; C36-M48 PolarHBondContact O-N 3.19Å; V46-M48 PolarHBondContact O-N 3.48Å; M48-R50 PolarHBondContact O-N 3.44Å
49	V	58	Low	52.6	Low	48 Å²	48	105.9 Å²	105.9	29%	0.291	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	107.8	169.5	-175.5	0	0	0	0	107.2	I35 Y47 P51	I35-V49 HydrophobicContact CG1-CG1 4.42Å; I35-V49 HydrophobicContact CG1-CG2 4.26Å; I35-V49 HydrophobicContact CG2-CG2 4.31Å; Y47-V49 PolarHBondContact O-N 3.45Å; V49-P51 WeakPolarHBondContact O-CD 3.41Å
50	R	47.8	Very low	52.5	Low	178 Å²	178	102.9 Å²	102.9	67%	0.672	56%	0.557	S	S	*	*			trans	-65.1	120.8	170	-72.7	-107.7	-166.6	146.9	4.4	106.6	L34 M48 C52	L34-R50 PolarHBondContact O-N 2.81Å; M48-R50 PolarHBondContact O-N 3.44Å; R50-C52 PolarHBondContact O-N 3.33Å
51	P	48.2	Very low	52.2	Low	39 Å²	39	102.4 Å²	102.4	25%	0.253	55%	0.553	S	S	.	*			trans	-64.2	110.7	177	25.2	-33.2	0	0	0	107.7	V49 K53 Q56 L57	V49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-K53 VanDerWaalsContact C-N 3.31Å; P51-K53 PolarHBondContact O-N 2.73Å; P51-Q56 WeakPolarHBondContact CB-O 3.06Å; P51-L57 VanDerWaalsContact CD-CD2 3.49Å; P51-L57 HydrophobicContact CG-CD2 4.36Å
52	C	48.9	Very low	52.4	Low	98 Å²	98	99.4 Å²	99.4	66%	0.662	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	101.2	167.1	-171.5	0	0	0	0	106.9	L34 R50	L34-C52 HydrophobicContact CD2-CB 4.5Å; R50-C52 PolarHBondContact O-N 3.33Å
53	K	46.1	Very low	51.7	Low	207 Å²	207	102.2 Å²	102.2	90%	0.9	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-4.5	166	-112.8	168.9	-178.8	-175.9	0	121.7	P51	P51-K53 VanDerWaalsContact C-N 3.31Å; P51-K53 PolarHBondContact O-N 2.73Å
54	T	47.3	Very low	51.4	Low	124 Å²	124	108.4 Å²	108.4	76%	0.761	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125	8.6	-176.9	19.4	0	0	0	0	117	Q56	T54-Q56 PolarHBondContact O-N 3.11Å
55	G	44.4	Very low	51.1	Low	70 Å²	70	106.9 Å²	106.9	72%	0.722	55%	0.549	S	S	*	.			trans	70.9	0.1	165.3	0	0	0	0	0	117.3
56	Q	44.1	Very low	50.6	Low	133 Å²	133	106.9 Å²	106.9	62%	0.621	55%	0.549	S	S	*	.			trans	-98.2	99.2	176	-163.6	171.1	26.5	0	0	111	P51 T54 R58	P51-Q56 WeakPolarHBondContact CB-O 3.06Å; T54-Q56 PolarHBondContact O-N 3.11Å; Q56-R58 PolarHBondContact O-N 3.31Å
57	L	51.1	Low	50.1	Low	103 Å²	103	111.4 Å²	111.4	54%	0.539	57%	0.57	S	S	.	*			trans	-65.6	118.1	170.5	-68.3	161.9	0	0	0	108.4	P51 F59	P51-L57 VanDerWaalsContact CD-CD2 3.49Å; P51-L57 HydrophobicContact CG-CD2 4.36Å; L57-F59 HydrophobicContact CB-CE2 4.48Å
58	R	50.8	Low	49.4	Very low	189 Å²	189	116.6 Å²	116.6	71%	0.713	60%	0.599	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.7	113.6	172.1	-74.4	-169.8	164.7	-146.4	-3.7	108.4	Q56 A60	Q56-R58 PolarHBondContact O-N 3.31Å; R58-A60 PolarHBondContact O-N 3.29Å
59	F	52.3	Low	48.9	Very low	143 Å²	143	119.5 Å²	119.5	63%	0.627	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.7	112.2	173.2	-56.8	-83.7	0	0	0	108	V46 L57	V46-F59 HydrophobicContact CG1-CB 4.43Å; V46-F59 HydrophobicContact CG1-CD1 4.08Å; L57-F59 HydrophobicContact CB-CE2 4.48Å
60	A	50	Low	48.3	Very low	49 Å²	49	124.3 Å²	124.3	41%	0.405	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.9	107.9	167	0	0	0	0	0	107.5	R58 V62	R58-A60 PolarHBondContact O-N 3.29Å; A60-V62 PolarHBondContact O-N 3.04Å
61	E	52.7	Low	48.4	Very low	81 Å²	81	120.4 Å²	120.4	38%	0.379	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.7	113.7	168.9	-174.6	178.7	117.9	0	0	108	R44 N63	R44-E61 IonicContact CZ-OE1 3Å; R44-E61 VanDerWaalsContact CZ-OE1 3.29Å; R44-E61 IonicContact CZ-OE2 3.05Å; R44-E61 VanDerWaalsContact NE-CD 3.29Å; R44-E61 IonicContact NE-OE1 3.28Å; R44-E61 PolarHBondContact NE-OE1 2.73Å; R44-E61 IonicContact NE-OE2 3.48Å; R44-E61 PolarHBondContact NE-OE2 3.22Å; R44-E61 IonicContact NH1-OE2 3.45Å; R44-E61 PolarHBondContact NH1-OE2 2.65Å; R44-E61 IonicContact NH2-OE1 2.67Å; R44-E61 PolarHBondContact NH2-OE1 2.73Å; R44-E61 IonicContact NH2-OE2 3.29Å; R44-E61 PolarHBondContact NH2-OE2 2.96Å; E61-N63 PolarHBondContact O-N 2.77Å; E61-N63 VanDerWaalsContact O-N 3.09Å; E61-N63 PolarHBondContact OE1-ND2 3.26Å; E61-N63 PolarHBondContact OE1-OD1 2.92Å
62	V	50.8	Low	48.4	Very low	72 Å²	72	126.7 Å²	126.7	44%	0.436	66%	0.662	S	S	.	*			trans	-77.3	97	166.3	164.6	0	0	0	0	107.3	Y47 A60	Y47-V62 HydrophobicContact CD2-CB 4.15Å; Y47-V62 HydrophobicContact CD2-CG2 3.56Å; Y47-V62 HydrophobicContact CE1-CG2 4.49Å; Y47-V62 HydrophobicContact CE2-CB 3.46Å; Y47-V62 VanDerWaalsContact CE2-CB 3.46Å; Y47-V62 HydrophobicContact CE2-CG1 4.3Å; Y47-V62 HydrophobicContact CE2-CG2 2.97Å; Y47-V62 VanDerWaalsContact CZ-CG2 3.49Å; A60-V62 PolarHBondContact O-N 3.04Å
63	N	43.8	Very low	48.4	Very low	116 Å²	116	129.1 Å²	129.1	62%	0.62	66%	0.662	S	S	*	*			trans	-70.3	125.6	162.3	-82.9	-85.4	0	0	0	107.4	E61	E61-N63 PolarHBondContact O-N 2.77Å; E61-N63 VanDerWaalsContact O-N 3.09Å; E61-N63 PolarHBondContact OE1-ND2 3.26Å; E61-N63 PolarHBondContact OE1-OD1 2.92Å
64	Q	46.9	Very low	48.6	Very low	262 Å²	262	122 Å²	122	100%	1.224	64%	0.641	S	S	*	*			trans	-63.9	0	165.6	-67.6	-163.7	-80.8	0	0	110.5

Retrieved 64 of 64 residues in 31.7 ms (Link to these results)

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