A0A087WWU4_HUMAN Loading...

Fragile X messenger ribonucleoprotein 1

AlphaFold DB , UniProt , Accession A0A087WWU4, Species HUMAN (Homo sapiens, Human), Gene FMR1, Length 76 aa.

						>A0A087WWU4_HUMAN|A0A087WWU4|FMR1
MEELVVEVRGSNGAFYKAFVKDVHEDSITVAFENKLSPSGFCGLGDPTIPVHADNVILISIQLPTARIDHLVGSKI
					

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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	47	Very low	63.3	Low	237 Å²	237	116.5 Å²	116.5	100%	1.167	60%	0.598	S	S	*	*				0	122.7	0	-78	169	-171.8	0	0	105.8	E3	M1-E3 PolarHBondContact O-N 3.41Å
2	E	49.8	Very low	62.8	Low	196 Å²	196	119.6 Å²	119.6	92%	0.916	62%	0.617	S	S	*	*			trans	-74.4	111.1	179.9	-65.2	172.3	100	0	0	107.9	L4	E2-L4 PolarHBondContact O-N 2.7Å; E2-L4 VanDerWaalsContact O-N 3.16Å
3	E	56.6	Low	62.7	Low	142 Å²	142	112.7 Å²	112.7	66%	0.664	59%	0.593	S	S	*	*			trans	-67	112.1	174.7	-72.6	173.1	80.8	0	0	108.5	M1 V5 F19	M1-E3 PolarHBondContact O-N 3.41Å; E3-V5 PolarHBondContact O-N 3.18Å; E3-F19 HydrophobicContact CB-CD1 4.05Å
4	L	69.4	Low	62.4	Low	106 Å²	106	107.3 Å²	107.3	56%	0.555	57%	0.573	S	S	*	*			trans	-70.7	105.4	-179.8	-149.6	94.9	0	0	0	108.3	E2 V6 V20	E2-L4 PolarHBondContact O-N 2.7Å; E2-L4 VanDerWaalsContact O-N 3.16Å; L4-V6 HydrophobicContact CD2-CG1 4.21Å; L4-V20 HydrophobicContact CB-CB 3.99Å; L4-V20 HydrophobicContact CB-CG2 4.01Å; L4-V20 HydrophobicContact CD2-CG2 4.01Å; L4-V20 WeakPolarHBondContact O-CG2 3.25Å; L4-V20 PolarHBondContact O-N 2.95Å
5	V	69.4	Low	62.6	Low	66 Å²	66	108.7 Å²	108.7	40%	0.4	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	127.1	176.1	-175.8	0	0	0	0	108.8	E3 K17 A18 F19	E3-V5 PolarHBondContact O-N 3.18Å; V5-K17 HydrophobicContact CG1-CD 4.05Å; V5-K17 HydrophobicContact CG1-CG 3.47Å; V5-K17 VanDerWaalsContact CG1-CG 3.47Å; V5-A18 CarbonylContact C-O 3.51Å; V5-A18 WeakPolarHBondContact CA-O 3Å; V5-F19 HydrophobicContact CG2-CD1 3.71Å; V5-F19 HydrophobicContact CG2-CE1 3.58Å
6	V	74	Confident	63.1	Low	36 Å²	36	109.4 Å²	109.4	22%	0.218	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.8	145.1	175.7	-64.5	0	0	0	0	110.8	L4 V8 A18 V20 V30	L4-V6 HydrophobicContact CD2-CG1 4.21Å; V6-V8 HydrophobicContact CG2-CG2 4.35Å; V6-A18 HydrophobicContact CG2-CB 3.98Å; V6-A18 PolarHBondContact N-O 3.27Å; V6-A18 PolarHBondContact O-N 2.98Å; V6-V20 HydrophobicContact CB-CG2 4.39Å; V6-V20 HydrophobicContact CG1-CG2 3.57Å; V6-V20 HydrophobicContact CG2-CG2 3.88Å; V6-V30 HydrophobicContact CG2-CB 4.28Å; V6-V30 HydrophobicContact CG2-CG1 3.75Å
7	E	72.9	Confident	63.7	Low	126 Å²	126	111 Å²	111	59%	0.589	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98	115.4	174.2	-68.5	-177.2	91.5	0	0	109.4	Y16	E7-Y16 WeakPolarHBondContact CA-O 3.08Å
8	V	71.9	Confident	64.3	Low	26 Å²	26	104.8 Å²	104.8	16%	0.158	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.6	179.1	-176.1	0	0	0	0	108.8	V6 G10 F15 Y16 A18 V30 F32 I59 I61	V6-V8 HydrophobicContact CG2-CG2 4.35Å; V8-G10 PolarHBondContact O-N 3.42Å; V8-F15 WeakPolarHBondContact O-CA 3.4Å; V8-Y16 PolarHBondContact N-O 2.75Å; V8-Y16 PolarHBondContact O-N 2.89Å; V8-A18 HydrophobicContact CG2-CB 4.12Å; V8-V30 HydrophobicContact CG2-CG2 4.19Å; V8-F32 HydrophobicContact CB-CE1 4.1Å; V8-F32 HydrophobicContact CB-CZ 3.8Å; V8-F32 HydrophobicContact CG1-CZ 4.26Å; V8-F32 HydrophobicContact CG2-CE1 4.12Å; V8-F32 HydrophobicContact CG2-CZ 3.73Å; V8-I59 HydrophobicContact CG1-CD1 4.17Å; V8-I61 HydrophobicContact CG1-CD1 4.07Å; V8-I61 HydrophobicContact CG2-CD1 3.85Å
9	R	68.2	Low	64.9	Low	180 Å²	180	101.7 Å²	101.7	68%	0.679	52%	0.518	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	111	172.3	-170.8	-178.5	-178.4	-165.8	-1.6	109.4	A14 F15	R9-A14 CarbonylContact C-O 3.52Å; R9-A14 WeakPolarHBondContact CA-O 3.47Å; R9-F15 HydrophobicContact CB-CD1 4.11Å; R9-F15 HydrophobicContact CB-CE1 3.89Å; R9-F15 HydrophobicContact CB-CZ 4.47Å; R9-F15 HydrophobicContact CG-CD1 4.49Å; R9-F15 HydrophobicContact CG-CE1 4.11Å; R9-F15 HydrophobicContact CG-CZ 4.19Å
10	G	61.6	Low	65.5	Low	22 Å²	22	97.8 Å²	97.8	23%	0.227	50%	0.499	C	S	.	.			trans	-69.3	161.1	171.7	0	0	0	0	0	111.7	V8 N12 G13 A14	V8-G10 PolarHBondContact O-N 3.42Å; G10-N12 PolarHBondContact O-N 2.82Å; G10-G13 PolarHBondContact O-N 2.97Å; G10-A14 PolarHBondContact N-O 3.01Å
11	S	55.6	Low	66	Low	144 Å²	144	98.4 Å²	98.4	100%	1.007	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21	-180	-51.9	0	0	0	0	113.9	G13	S11-G13 VanDerWaalsContact C-N 3.27Å; S11-G13 PolarHBondContact O-N 2.77Å
12	N	57.7	Low	67.3	Low	154 Å²	154	91.3 Å²	91.3	82%	0.824	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	3.2	175.8	-152.7	33.2	0	0	0	113.5	G10 A14	G10-N12 PolarHBondContact O-N 2.82Å; N12-A14 VanDerWaalsContact C-N 3.3Å; N12-A14 PolarHBondContact O-N 3.1Å
13	G	61.1	Low	68.4	Low	30 Å²	30	86.6 Å²	86.6	31%	0.309	45%	0.45	S	S	.	.	S	Bend	trans	81.2	0.2	-177.6	0	0	0	0	0	115.3	G10 S11	G10-G13 PolarHBondContact O-N 2.97Å; S11-G13 VanDerWaalsContact C-N 3.27Å; S11-G13 PolarHBondContact O-N 2.77Å
14	A	58	Low	69.4	Low	37 Å²	37	84.7 Å²	84.7	31%	0.306	44%	0.441	S	S	.	.			trans	-76.8	138.7	174.2	0	0	0	0	0	111.1	R9 G10 N12 Y16	R9-A14 CarbonylContact C-O 3.52Å; R9-A14 WeakPolarHBondContact CA-O 3.47Å; G10-A14 PolarHBondContact N-O 3.01Å; N12-A14 VanDerWaalsContact C-N 3.3Å; N12-A14 PolarHBondContact O-N 3.1Å; A14-Y16 HydrophobicContact CB-CE2 3.74Å; A14-Y16 WeakPolarHBondContact O-CD2 3.24Å
15	F	66	Low	69.5	Low	129 Å²	129	88.5 Å²	88.5	57%	0.566	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.5	173.8	-67.2	-91.1	0	0	0	109.4	V8 R9	V8-F15 WeakPolarHBondContact O-CA 3.4Å; R9-F15 HydrophobicContact CB-CD1 4.11Å; R9-F15 HydrophobicContact CB-CE1 3.89Å; R9-F15 HydrophobicContact CB-CZ 4.47Å; R9-F15 HydrophobicContact CG-CD1 4.49Å; R9-F15 HydrophobicContact CG-CE1 4.11Å; R9-F15 HydrophobicContact CG-CZ 4.19Å
16	Y	71.3	Confident	69.7	Low	119 Å²	119	90.4 Å²	90.4	47%	0.467	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.3	179.7	-61.7	-88.6	0	0	0	109.3	E7 V8 A14 A18 F32	E7-Y16 WeakPolarHBondContact CA-O 3.08Å; V8-Y16 PolarHBondContact N-O 2.75Å; V8-Y16 PolarHBondContact O-N 2.89Å; A14-Y16 HydrophobicContact CB-CE2 3.74Å; A14-Y16 WeakPolarHBondContact O-CD2 3.24Å; Y16-A18 PolarHBondContact O-N 2.9Å; Y16-F32 HydrophobicContact CG-CE1 4.44Å
17	K	72.4	Confident	69.4	Low	137 Å²	137	89.7 Å²	89.7	60%	0.596	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	117.1	175.4	-167.3	-179.8	-174.6	-173.3	0	109.3	V5 F32	V5-K17 HydrophobicContact CG1-CD 4.05Å; V5-K17 HydrophobicContact CG1-CG 3.47Å; V5-K17 VanDerWaalsContact CG1-CG 3.47Å; K17-F32 WeakPolarHBondContact O-CD1 3.48Å
18	A	75.3	Confident	69.4	Low	0 Å²	0	85.3 Å²	85.3	0%	0	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	159.8	177.6	0	0	0	0	0	110.5	V5 V6 V8 Y16 V30 A31 F32	V5-A18 CarbonylContact C-O 3.51Å; V5-A18 WeakPolarHBondContact CA-O 3Å; V6-A18 HydrophobicContact CG2-CB 3.98Å; V6-A18 PolarHBondContact N-O 3.27Å; V6-A18 PolarHBondContact O-N 2.98Å; V8-A18 HydrophobicContact CG2-CB 4.12Å; Y16-A18 PolarHBondContact O-N 2.9Å; A18-V30 HydrophobicContact CB-CB 3.86Å; A18-V30 HydrophobicContact CB-CG2 3.77Å; A18-A31 CarbonylContact C-O 3.57Å; A18-A31 WeakPolarHBondContact CA-O 3.07Å; A18-F32 HydrophobicContact CB-CD1 3.55Å; A18-F32 HydrophobicContact CB-CD2 4.45Å; A18-F32 HydrophobicContact CB-CE1 3.3Å; A18-F32 HydrophobicContact CB-CE2 4.27Å; A18-F32 HydrophobicContact CB-CG 4.13Å; A18-F32 HydrophobicContact CB-CZ 3.72Å
19	F	74.3	Confident	69.4	Low	45 Å²	45	84.9 Å²	84.9	20%	0.197	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.1	175.3	-60.3	-88.5	0	0	0	108.7	E3 V5 K21 V30 A31 E33	E3-F19 HydrophobicContact CB-CD1 4.05Å; V5-F19 HydrophobicContact CG2-CD1 3.71Å; V5-F19 HydrophobicContact CG2-CE1 3.58Å; F19-K21 PolarHBondContact O-N 2.86Å; F19-V30 CarbonylContact O-C 3.55Å; F19-V30 VanDerWaalsContact O-CA 3.32Å; F19-V30 WeakPolarHBondContact O-CA 3.33Å; F19-A31 PolarHBondContact N-O 3.01Å; F19-A31 WeakPolarHBondContact O-CB 3.15Å; F19-A31 PolarHBondContact O-N 3.44Å; F19-E33 HydrophobicContact CE2-CB 4.14Å
20	V	77.1	Confident	69.8	Low	24 Å²	24	76.4 Å²	76.4	15%	0.145	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	121.1	177.2	-179.5	0	0	0	0	108.9	L4 V6 V23 I28 V30	L4-V20 HydrophobicContact CB-CB 3.99Å; L4-V20 HydrophobicContact CB-CG2 4.01Å; L4-V20 HydrophobicContact CD2-CG2 4.01Å; L4-V20 WeakPolarHBondContact O-CG2 3.25Å; L4-V20 PolarHBondContact O-N 2.95Å; V6-V20 HydrophobicContact CB-CG2 4.39Å; V6-V20 HydrophobicContact CG1-CG2 3.57Å; V6-V20 HydrophobicContact CG2-CG2 3.88Å; V20-V23 HydrophobicContact CG1-CG2 3.48Å; V20-V23 VanDerWaalsContact CG1-CG2 3.48Å; V20-I28 HydrophobicContact CG1-CG2 3.73Å; V20-I28 HydrophobicContact CG2-CG2 4.23Å; V20-V30 HydrophobicContact CG2-CG1 4.01Å
21	K	76.3	Confident	70.2	Confident	110 Å²	110	75.7 Å²	75.7	48%	0.478	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-47.3	173	-108	175.1	68.7	173.2	0	111	F19 T29 A31 L58	F19-K21 PolarHBondContact O-N 2.86Å; K21-T29 PolarHBondContact N-O 3.48Å; K21-A31 HydrophobicContact CD-CB 4.02Å; K21-A31 HydrophobicContact CG-CB 4.32Å; K21-L58 HydrophobicContact CD-CD2 3.62Å
22	D	74.6	Confident	70.9	Confident	88 Å²	88	70.1 Å²	70.1	47%	0.471	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	141	-177.6	-78.8	-90.1	0	0	0	110.4	T29	D22-T29 PolarHBondContact N-O 2.85Å; D22-T29 PolarHBondContact O-N 2.77Å
23	V	73.3	Confident	71.1	Confident	98 Å²	98	68.2 Å²	68.2	59%	0.594	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.9	174.2	-179.6	0	0	0	0	107.3	V20 I28	V20-V23 HydrophobicContact CG1-CG2 3.48Å; V20-V23 VanDerWaalsContact CG1-CG2 3.48Å; V23-I28 HydrophobicContact CG1-CG1 4.27Å; V23-I28 HydrophobicContact CG2-CG2 4.2Å
24	H	77.7	Confident	70.6	Confident	101 Å²	101	69.2 Å²	69.2	47%	0.468	34%	0.341	S	S	.	.			trans	-107.9	169.4	168.3	-51.4	-92.8	0	0	0	109.6	D26 S27	H24-D26 VanDerWaalsContact C-N 3.33Å; H24-D26 PolarHBondContact O-N 3.21Å; H24-S27 CarbonylContact C-O 3.49Å; H24-S27 VanDerWaalsContact CA-O 3.25Å; H24-S27 WeakPolarHBondContact CA-O 3.34Å; H24-S27 WeakPolarHBondContact CB-O 3.4Å; H24-S27 PolarHBondContact N-O 2.89Å
25	E	71.7	Confident	70	Confident	187 Å²	187	75.5 Å²	75.5	87%	0.874	36%	0.361	S	S	*	.	S	Bend	trans	-63	-36.5	-177.5	-71.1	175.3	84.5	0	0	113
26	D	73.1	Confident	69.1	Low	105 Å²	105	75.6 Å²	75.6	56%	0.561	37%	0.367	S	S	*	.	S	Bend	trans	-111.1	-10.7	-178.7	-59.4	-80	0	0	0	113.7	H24 Q62 L63	H24-D26 VanDerWaalsContact C-N 3.33Å; H24-D26 PolarHBondContact O-N 3.21Å; D26-Q62 WeakPolarHBondContact O-CA 3.45Å; D26-Q62 PolarHBondContact O-OE1 3.07Å; D26-L63 PolarHBondContact O-N 2.85Å
27	S	66.8	Low	67.4	Low	22 Å²	22	73.4 Å²	73.4	15%	0.154	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	144.2	-172.2	68.4	0	0	0	0	113	H24 I61	H24-S27 CarbonylContact C-O 3.49Å; H24-S27 VanDerWaalsContact CA-O 3.25Å; H24-S27 WeakPolarHBondContact CA-O 3.34Å; H24-S27 WeakPolarHBondContact CB-O 3.4Å; H24-S27 PolarHBondContact N-O 2.89Å; S27-I61 CarbonylContact C-O 3.59Å; S27-I61 VanDerWaalsContact CA-O 3.24Å; S27-I61 WeakPolarHBondContact CA-O 3.44Å
28	I	73.1	Confident	65.9	Low	33 Å²	33	73.2 Å²	73.2	17%	0.169	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.4	174.7	-53.7	179.6	0	0	0	109.1	V20 V23 V30 S60 I61 L63	V20-I28 HydrophobicContact CG1-CG2 3.73Å; V20-I28 HydrophobicContact CG2-CG2 4.23Å; V23-I28 HydrophobicContact CG1-CG1 4.27Å; V23-I28 HydrophobicContact CG2-CG2 4.2Å; I28-V30 HydrophobicContact CG2-CG1 3.73Å; I28-S60 CarbonylContact O-C 3.59Å; I28-S60 WeakPolarHBondContact O-CA 3.21Å; I28-I61 PolarHBondContact N-O 2.71Å; I28-I61 PolarHBondContact O-N 2.77Å; I28-L63 HydrophobicContact CD1-CD1 4.45Å
29	T	72.8	Confident	64.3	Low	17 Å²	17	78.1 Å²	78.1	10%	0.104	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	112.8	173.6	-58.5	0	0	0	0	109	K21 D22 L58 I59	K21-T29 PolarHBondContact N-O 3.48Å; D22-T29 PolarHBondContact N-O 2.85Å; D22-T29 PolarHBondContact O-N 2.77Å; T29-L58 HydrophobicContact CG2-CB 4.19Å; T29-L58 HydrophobicContact CG2-CD2 4.29Å; T29-I59 WeakPolarHBondContact CA-O 3.41Å
30	V	75.4	Confident	63.2	Low	2 Å²	2	79.2 Å²	79.2	1%	0.012	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.5	178	-49.1	0	0	0	0	110.9	V6 V8 A18 F19 V20 I28 F32 L58 I59 I61	V6-V30 HydrophobicContact CG2-CB 4.28Å; V6-V30 HydrophobicContact CG2-CG1 3.75Å; V8-V30 HydrophobicContact CG2-CG2 4.19Å; A18-V30 HydrophobicContact CB-CB 3.86Å; A18-V30 HydrophobicContact CB-CG2 3.77Å; F19-V30 CarbonylContact O-C 3.55Å; F19-V30 VanDerWaalsContact O-CA 3.32Å; F19-V30 WeakPolarHBondContact O-CA 3.33Å; V20-V30 HydrophobicContact CG2-CG1 4.01Å; I28-V30 HydrophobicContact CG2-CG1 3.73Å; V30-F32 HydrophobicContact CG2-CE2 4.03Å; V30-F32 HydrophobicContact CG2-CZ 4.17Å; V30-L58 WeakPolarHBondContact O-CA 3.43Å; V30-I59 HydrophobicContact CG2-CD1 3.82Å; V30-I59 HydrophobicContact CG2-CG1 3.34Å; V30-I59 PolarHBondContact N-O 3.11Å; V30-I59 PolarHBondContact O-N 3.45Å; V30-I61 HydrophobicContact CG2-CD1 4.12Å
31	A	71.9	Confident	61.3	Low	8 Å²	8	88.1 Å²	88.1	7%	0.066	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.7	-177.8	0	0	0	0	0	109.2	A18 F19 K21 V56 I57 L58	A18-A31 CarbonylContact C-O 3.57Å; A18-A31 WeakPolarHBondContact CA-O 3.07Å; F19-A31 PolarHBondContact N-O 3.01Å; F19-A31 WeakPolarHBondContact O-CB 3.15Å; F19-A31 PolarHBondContact O-N 3.44Å; K21-A31 HydrophobicContact CD-CB 4.02Å; K21-A31 HydrophobicContact CG-CB 4.32Å; A31-V56 HydrophobicContact CB-CG1 3.14Å; A31-I57 WeakPolarHBondContact CA-O 3.46Å; A31-L58 HydrophobicContact CB-CD2 4.02Å
32	F	69.8	Low	59.6	Low	26 Å²	26	88.4 Å²	88.4	11%	0.114	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	131.1	169.4	-64	-86.1	0	0	0	110.2	V8 Y16 K17 A18 V30 N34 I57 I59	V8-F32 HydrophobicContact CB-CE1 4.1Å; V8-F32 HydrophobicContact CB-CZ 3.8Å; V8-F32 HydrophobicContact CG1-CZ 4.26Å; V8-F32 HydrophobicContact CG2-CE1 4.12Å; V8-F32 HydrophobicContact CG2-CZ 3.73Å; Y16-F32 HydrophobicContact CG-CE1 4.44Å; K17-F32 WeakPolarHBondContact O-CD1 3.48Å; A18-F32 HydrophobicContact CB-CD1 3.55Å; A18-F32 HydrophobicContact CB-CD2 4.45Å; A18-F32 HydrophobicContact CB-CE1 3.3Å; A18-F32 HydrophobicContact CB-CE2 4.27Å; A18-F32 HydrophobicContact CB-CG 4.13Å; A18-F32 HydrophobicContact CB-CZ 3.72Å; V30-F32 HydrophobicContact CG2-CE2 4.03Å; V30-F32 HydrophobicContact CG2-CZ 4.17Å; F32-N34 PolarHBondContact O-N 2.83Å; F32-I57 HydrophobicContact CD2-CB 4.37Å; F32-I57 PolarHBondContact N-O 2.81Å; F32-I57 VanDerWaalsContact N-O 3.11Å; F32-I59 HydrophobicContact CE2-CB 4.45Å; F32-I59 HydrophobicContact CE2-CD1 3.35Å; F32-I59 HydrophobicContact CE2-CG1 3.58Å; F32-I59 HydrophobicContact CE2-CG2 4.09Å; F32-I59 HydrophobicContact CZ-CD1 3.63Å; F32-I59 HydrophobicContact CZ-CG1 4.28Å
33	E	60.6	Low	57.9	Low	114 Å²	114	87.2 Å²	87.2	53%	0.533	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	89.5	161.1	-166.2	-174.9	115.7	0	0	107.3	F19 K35	F19-E33 HydrophobicContact CE2-CB 4.14Å; E33-K35 PolarHBondContact O-N 2.85Å; E33-K35 WeakPolarHBondContact OE1-CE 3.48Å; E33-K35 IonicContact OE1-NZ 2.66Å; E33-K35 PolarHBondContact OE1-NZ 3.4Å
34	N	52.1	Low	56.6	Low	52 Å²	52	91.1 Å²	91.1	28%	0.278	52%	0.517	S	S	.	.			trans	-74	97.4	179	-171.5	22.8	0	0	0	109	F32 L36 I57	F32-N34 PolarHBondContact O-N 2.83Å; N34-L36 WeakPolarHBondContact ND2-CB 3.42Å; N34-L36 WeakPolarHBondContact ND2-CD1 3.33Å; N34-L36 PolarHBondContact O-N 2.78Å; N34-L36 VanDerWaalsContact O-N 3.09Å; N34-L36 WeakPolarHBondContact OD1-CB 3.32Å; N34-L36 WeakPolarHBondContact OD1-CD1 3.33Å; N34-L36 WeakPolarHBondContact OD1-CG 3.42Å; N34-L36 PolarHBondContact OD1-N 2.98Å; N34-L36 VanDerWaalsContact OD1-N 3.1Å; N34-I57 HydrophobicContact CB-CD1 4.35Å
35	K	45.6	Very low	55.5	Low	168 Å²	168	89.8 Å²	89.8	73%	0.73	53%	0.53	S	S	*	.			trans	-73.1	24.8	163.9	-66.2	-66.3	-156.6	-142.2	0	112.1	E33 S37	E33-K35 PolarHBondContact O-N 2.85Å; E33-K35 WeakPolarHBondContact OE1-CE 3.48Å; E33-K35 IonicContact OE1-NZ 2.66Å; E33-K35 PolarHBondContact OE1-NZ 3.4Å; K35-S37 PolarHBondContact O-N 2.81Å
36	L	46.2	Very low	53.8	Low	131 Å²	131	87.8 Å²	87.8	69%	0.686	53%	0.525	S	S	*	.			trans	-68.3	90.6	163.1	-72.5	168.3	0	0	0	107.2	N34	N34-L36 WeakPolarHBondContact ND2-CB 3.42Å; N34-L36 WeakPolarHBondContact ND2-CD1 3.33Å; N34-L36 PolarHBondContact O-N 2.78Å; N34-L36 VanDerWaalsContact O-N 3.09Å; N34-L36 WeakPolarHBondContact OD1-CB 3.32Å; N34-L36 WeakPolarHBondContact OD1-CD1 3.33Å; N34-L36 WeakPolarHBondContact OD1-CG 3.42Å; N34-L36 PolarHBondContact OD1-N 2.98Å; N34-L36 VanDerWaalsContact OD1-N 3.1Å
37	S	35.8	Very low	52.6	Low	73 Å²	73	87.9 Å²	87.9	51%	0.51	53%	0.532	S	S	.	.			trans	-36.9	142.3	157.7	49	0	0	0	0	110.3	K35 S39	K35-S37 PolarHBondContact O-N 2.81Å; S37-S39 PolarHBondContact O-N 2.96Å; S37-S39 PolarHBondContact OG-OG 3.11Å
38	P	41.4	Very low	51.9	Low	133 Å²	133	93.3 Å²	93.3	86%	0.864	56%	0.564	S	S	*	*	S	Bend	trans	-66.7	10.3	-170.5	28.6	-35.6	0	0	0	115.2	G40	P38-G40 PolarHBondContact O-N 2.82Å
39	S	41.3	Very low	50.6	Low	104 Å²	104	98.4 Å²	98.4	73%	0.727	59%	0.591	S	S	*	*			trans	-91.7	66	177.4	53.5	0	0	0	0	111.1	S37	S37-S39 PolarHBondContact O-N 2.96Å; S37-S39 PolarHBondContact OG-OG 3.11Å
40	G	50.6	Low	49	Very low	68 Å²	68	102.3 Å²	102.3	70%	0.701	62%	0.616	S	S	*	*			trans	-161.6	33	177.1	0	0	0	0	0	112.2	P38 C42	P38-G40 PolarHBondContact O-N 2.82Å; G40-C42 PolarHBondContact O-N 2.8Å
41	F	36.7	Very low	47.3	Very low	210 Å²	210	108.7 Å²	108.7	92%	0.921	66%	0.655	S	S	*	*			trans	-70.3	99.4	171.5	-130.5	-88.8	0	0	0	108.1
42	C	40.6	Very low	45.8	Very low	117 Å²	117	116.1 Å²	116.1	79%	0.791	69%	0.688	S	S	*	*			trans	-64.8	141.9	167	-159.7	0	0	0	0	108.9	G40	G40-C42 PolarHBondContact O-N 2.8Å
43	G	38.8	Very low	44.4	Very low	62 Å²	62	119.7 Å²	119.7	64%	0.639	72%	0.722	S	S	*	*			trans	-67.3	152.8	-168.4	0	0	0	0	0	115.2
44	L	45.8	Very low	43.6	Very low	181 Å²	181	118.8 Å²	118.8	95%	0.948	72%	0.721	S	S	*	*	S	Bend	trans	45	90.6	142.5	-61.2	169.3	0	0	0	117.7
45	G	54.9	Low	43.3	Very low	73 Å²	73	122.9 Å²	122.9	75%	0.753	74%	0.743	S	S	*	*				105.3	79.3	123	0	0	0	0	0	118.2
46	D	36.8	Very low	43.5	Very low	144 Å²	144	116.9 Å²	116.9	77%	0.77	72%	0.72	S	S	*	*			trans	-170.1	159.3	148.9	55.3	-86.8	0	0	0	110.2
47	P	47.2	Very low	43.9	Very low	108 Å²	108	114.7 Å²	114.7	70%	0.701	71%	0.708	S	S	*	*			trans	-85.5	133	-142.4	32.9	-32.8	0	0	0	113.2	I49	P47-I49 PolarHBondContact O-N 3.03Å
48	T	52.6	Low	45.1	Very low	136 Å²	136	115.4 Å²	115.4	83%	0.834	71%	0.706	S	S	*	*			trans	30.3	67.7	150.3	-32.3	0	0	0	0	115.7	P50	T48-P50 WeakPolarHBondContact O-CD 3.42Å
49	I	45.2	Very low	46.1	Very low	140 Å²	140	111.6 Å²	111.6	72%	0.718	68%	0.678	S	S	*	*			trans	-65.4	121.4	152	-50.4	176	0	0	0	104.7	P47 V51	P47-I49 PolarHBondContact O-N 3.03Å; I49-V51 PolarHBondContact O-N 2.72Å
50	P	39.6	Very low	46.9	Very low	99 Å²	99	110.8 Å²	110.8	64%	0.643	67%	0.672	S	S	*	*			trans	-60.3	108.5	173.3	25	-30.9	0	0	0	106.3	T48 H52	T48-P50 WeakPolarHBondContact O-CD 3.42Å; P50-H52 PolarHBondContact O-N 3.16Å
51	V	39.9	Very low	47.6	Very low	135 Å²	135	109.2 Å²	109.2	82%	0.818	65%	0.647	S	S	*	*			trans	-62.7	86.9	167.4	-72.2	0	0	0	0	105.5	I49 A53	I49-V51 PolarHBondContact O-N 2.72Å; V51-A53 PolarHBondContact O-N 3.16Å
52	H	40.4	Very low	48.4	Very low	164 Å²	164	105 Å²	105	76%	0.759	63%	0.63	S	S	*	*			trans	-56.7	112.1	167	-128.3	-81.4	0	0	0	104	P50 D54	P50-H52 PolarHBondContact O-N 3.16Å; H52-D54 PolarHBondContact O-N 3.32Å
53	A	40.3	Very low	49.2	Very low	101 Å²	101	102.5 Å²	102.5	84%	0.835	61%	0.609	S	S	*	*	S	Bend	trans	-72.7	55.2	-174.5	0	0	0	0	0	110.8	V51	V51-A53 PolarHBondContact O-N 3.16Å
54	D	43.9	Very low	49.7	Very low	96 Å²	96	105.1 Å²	105.1	51%	0.513	61%	0.614	S	S	.	*			trans	-126.6	113.5	167	-116.7	-96.1	0	0	0	102.5	H52 V56	H52-D54 PolarHBondContact O-N 3.32Å; D54-V56 HydrophobicContact CB-CB 4.12Å; D54-V56 HydrophobicContact CB-CG2 4.32Å; D54-V56 PolarHBondContact O-N 3.33Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.48Å
55	N	46.5	Very low	49.6	Very low	138 Å²	138	102.8 Å²	102.8	74%	0.738	61%	0.608	S	S	*	*	S	Bend	trans	-65.9	30.4	170.6	-80.9	-15.4	0	0	0	111.7
56	V	48.4	Very low	49.1	Very low	42 Å²	42	101 Å²	101	26%	0.255	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.2	97.6	-169.4	-175	0	0	0	0	106.1	A31 D54 L58	A31-V56 HydrophobicContact CB-CG1 3.14Å; D54-V56 HydrophobicContact CB-CB 4.12Å; D54-V56 HydrophobicContact CB-CG2 4.32Å; D54-V56 PolarHBondContact O-N 3.33Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.48Å; V56-L58 HydrophobicContact CG1-CD2 3.78Å; V56-L58 PolarHBondContact O-N 3.43Å; V56-L58 VanDerWaalsContact O-N 3.16Å
57	I	56.3	Low	49.2	Very low	85 Å²	85	104 Å²	104	44%	0.436	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.5	112.3	172.7	-57.9	174.3	0	0	0	106.3	A31 F32 N34 I59	A31-I57 WeakPolarHBondContact CA-O 3.46Å; F32-I57 HydrophobicContact CD2-CB 4.37Å; F32-I57 PolarHBondContact N-O 2.81Å; F32-I57 VanDerWaalsContact N-O 3.11Å; N34-I57 HydrophobicContact CB-CD1 4.35Å; I57-I59 HydrophobicContact CG2-CG2 3.86Å
58	L	61	Low	49.3	Very low	87 Å²	87	103.1 Å²	103.1	46%	0.455	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.1	108.1	171.9	-56.4	178.5	0	0	0	108.1	K21 T29 V30 A31 V56	K21-L58 HydrophobicContact CD-CD2 3.62Å; T29-L58 HydrophobicContact CG2-CB 4.19Å; T29-L58 HydrophobicContact CG2-CD2 4.29Å; V30-L58 WeakPolarHBondContact O-CA 3.43Å; A31-L58 HydrophobicContact CB-CD2 4.02Å; V56-L58 HydrophobicContact CG1-CD2 3.78Å; V56-L58 PolarHBondContact O-N 3.43Å; V56-L58 VanDerWaalsContact O-N 3.16Å
59	I	60.8	Low	48.7	Very low	54 Å²	54	101.3 Å²	101.3	28%	0.277	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.7	134.1	167.8	69.6	170.7	0	0	0	109	V8 T29 V30 F32 I57 I61	V8-I59 HydrophobicContact CG1-CD1 4.17Å; T29-I59 WeakPolarHBondContact CA-O 3.41Å; V30-I59 HydrophobicContact CG2-CD1 3.82Å; V30-I59 HydrophobicContact CG2-CG1 3.34Å; V30-I59 PolarHBondContact N-O 3.11Å; V30-I59 PolarHBondContact O-N 3.45Å; F32-I59 HydrophobicContact CE2-CB 4.45Å; F32-I59 HydrophobicContact CE2-CD1 3.35Å; F32-I59 HydrophobicContact CE2-CG1 3.58Å; F32-I59 HydrophobicContact CE2-CG2 4.09Å; F32-I59 HydrophobicContact CZ-CD1 3.63Å; F32-I59 HydrophobicContact CZ-CG1 4.28Å; I57-I59 HydrophobicContact CG2-CG2 3.86Å; I59-I61 HydrophobicContact CD1-CD1 3.84Å; I59-I61 HydrophobicContact CD1-CG1 3.74Å; I59-I61 HydrophobicContact CG1-CD1 4.35Å; I59-I61 HydrophobicContact CG1-CG1 3.98Å
60	S	58.7	Low	48.5	Very low	86 Å²	86	101.6 Å²	101.6	60%	0.601	56%	0.558	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.3	111.1	168.9	-56	0	0	0	0	107.9	I28	I28-S60 CarbonylContact O-C 3.59Å; I28-S60 WeakPolarHBondContact O-CA 3.21Å
61	I	64.4	Low	48.5	Very low	35 Å²	35	103.7 Å²	103.7	18%	0.179	56%	0.563	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.8	111.9	178.5	-53.8	175.5	0	0	0	107.8	V8 S27 I28 V30 I59 A66	V8-I61 HydrophobicContact CG1-CD1 4.07Å; V8-I61 HydrophobicContact CG2-CD1 3.85Å; S27-I61 CarbonylContact C-O 3.59Å; S27-I61 VanDerWaalsContact CA-O 3.24Å; S27-I61 WeakPolarHBondContact CA-O 3.44Å; I28-I61 PolarHBondContact N-O 2.71Å; I28-I61 PolarHBondContact O-N 2.77Å; V30-I61 HydrophobicContact CG2-CD1 4.12Å; I59-I61 HydrophobicContact CD1-CD1 3.84Å; I59-I61 HydrophobicContact CD1-CG1 3.74Å; I59-I61 HydrophobicContact CG1-CD1 4.35Å; I59-I61 HydrophobicContact CG1-CG1 3.98Å; I61-A66 HydrophobicContact CG2-CB 3.44Å; I61-A66 VanDerWaalsContact CG2-CB 3.44Å
62	Q	53.8	Low	48.3	Very low	121 Å²	121	100.3 Å²	100.3	57%	0.565	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	118.5	175	-165.4	80.7	-16.1	0	0	110	D26	D26-Q62 WeakPolarHBondContact O-CA 3.45Å; D26-Q62 PolarHBondContact O-OE1 3.07Å
63	L	59.1	Low	48	Very low	65 Å²	65	95.6 Å²	95.6	34%	0.34	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	136.1	166.8	-67.5	161.9	0	0	0	107.2	D26 I28 I68	D26-L63 PolarHBondContact O-N 2.85Å; I28-L63 HydrophobicContact CD1-CD1 4.45Å; L63-I68 HydrophobicContact CD2-CD1 4.03Å
64	P	48.1	Very low	47.6	Very low	117 Å²	117	95.1 Å²	95.1	76%	0.76	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	cis	-116.3	5	34.9	40	-32	0	0	0	115.2
65	T	44.2	Very low	47.4	Very low	132 Å²	132	100.2 Å²	100.2	81%	0.81	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-26.4	-171.3	-55.7	0	0	0	0	113	R67	T65-R67 VanDerWaalsContact C-N 3.32Å; T65-R67 PolarHBondContact O-N 2.74Å
66	A	43.8	Very low	46.8	Very low	35 Å²	35	104.4 Å²	104.4	29%	0.289	57%	0.566	S	S	.	*	S	Bend	trans	-75.2	91.9	168	0	0	0	0	0	108	I61 I68	I61-A66 HydrophobicContact CG2-CB 3.44Å; I61-A66 VanDerWaalsContact CG2-CB 3.44Å; A66-I68 HydrophobicContact CB-CG1 4.36Å; A66-I68 PolarHBondContact O-N 2.92Å
67	R	40.3	Very low	46.7	Very low	208 Å²	208	107.5 Å²	107.5	79%	0.785	58%	0.582	S	S	*	*			trans	-57.5	88.9	156	-125.6	178.6	162.9	-122.9	3.2	105.8	T65 D69	T65-R67 VanDerWaalsContact C-N 3.32Å; T65-R67 PolarHBondContact O-N 2.74Å; R67-D69 WeakPolarHBondContact CB-OD2 3.21Å; R67-D69 WeakPolarHBondContact CD-OD2 3.45Å; R67-D69 WeakPolarHBondContact CG-OD2 2.98Å; R67-D69 IonicContact CZ-OD1 3.65Å; R67-D69 IonicContact CZ-OD2 3.19Å; R67-D69 IonicContact NE-OD2 3.27Å; R67-D69 PolarHBondContact NE-OD2 2.99Å; R67-D69 VanDerWaalsContact NH1-CG 3.3Å; R67-D69 IonicContact NH1-OD1 3.18Å; R67-D69 PolarHBondContact NH1-OD1 3.1Å; R67-D69 IonicContact NH1-OD2 2.7Å; R67-D69 PolarHBondContact NH1-OD2 3.09Å; R67-D69 PolarHBondContact O-N 2.74Å
68	I	48.6	Very low	46.2	Very low	89 Å²	89	108.7 Å²	108.7	46%	0.456	59%	0.59	S	S	.	*			trans	-70.3	62.7	161.4	-53.8	171	0	0	0	104.6	L63 A66 H70	L63-I68 HydrophobicContact CD2-CD1 4.03Å; A66-I68 HydrophobicContact CB-CG1 4.36Å; A66-I68 PolarHBondContact O-N 2.92Å; I68-H70 PolarHBondContact O-N 2.93Å; I68-H70 VanDerWaalsContact O-N 3.1Å
69	D	39.6	Very low	45.4	Very low	98 Å²	98	109.9 Å²	109.9	52%	0.524	60%	0.597	S	S	.	*			trans	-62.2	112.5	162.6	-86	-89.8	0	0	0	104.3	R67	R67-D69 WeakPolarHBondContact CB-OD2 3.21Å; R67-D69 WeakPolarHBondContact CD-OD2 3.45Å; R67-D69 WeakPolarHBondContact CG-OD2 2.98Å; R67-D69 IonicContact CZ-OD1 3.65Å; R67-D69 IonicContact CZ-OD2 3.19Å; R67-D69 IonicContact NE-OD2 3.27Å; R67-D69 PolarHBondContact NE-OD2 2.99Å; R67-D69 VanDerWaalsContact NH1-CG 3.3Å; R67-D69 IonicContact NH1-OD1 3.18Å; R67-D69 PolarHBondContact NH1-OD1 3.1Å; R67-D69 IonicContact NH1-OD2 2.7Å; R67-D69 PolarHBondContact NH1-OD2 3.09Å; R67-D69 PolarHBondContact O-N 2.74Å
70	H	40.3	Very low	44.5	Very low	147 Å²	147	113.2 Å²	113.2	68%	0.681	62%	0.616	S	S	*	*			trans	84.2	72.7	-174.4	-112.3	152.1	0	0	0	116	I68 V72	I68-H70 PolarHBondContact O-N 2.93Å; I68-H70 VanDerWaalsContact O-N 3.1Å; H70-V72 HydrophobicContact CB-CG2 3.94Å; H70-V72 WeakPolarHBondContact CD2-CG2 3.2Å; H70-V72 PolarHBondContact CD2-N 2.99Å; H70-V72 VanDerWaalsContact NE2-CG2 3.33Å; H70-V72 WeakPolarHBondContact NE2-CG2 3.08Å; H70-V72 PolarHBondContact O-N 2.66Å
71	L	40.4	Very low	43.6	Very low	142 Å²	142	114.9 Å²	114.9	74%	0.743	62%	0.617	S	S	*	*				-62.5	82	129.5	-154.2	93	0	0	0	106.5	G73	L71-G73 PolarHBondContact O-N 3.25Å
72	V	36.4	Very low	42.2	Very low	65 Å²	65	120.2 Å²	120.2	39%	0.394	65%	0.646	S	S	.	*			trans	-65.4	97.9	162.1	-176.5	0	0	0	0	103.8	H70 S74	H70-V72 HydrophobicContact CB-CG2 3.94Å; H70-V72 WeakPolarHBondContact CD2-CG2 3.2Å; H70-V72 PolarHBondContact CD2-N 2.99Å; H70-V72 VanDerWaalsContact NE2-CG2 3.33Å; H70-V72 WeakPolarHBondContact NE2-CG2 3.08Å; H70-V72 PolarHBondContact O-N 2.66Å; V72-S74 PolarHBondContact O-N 3.48Å
73	G	34.1	Very low	41.4	Very low	65 Å²	65	120.1 Å²	120.1	67%	0.67	65%	0.652	S	S	*	*			trans	-59.1	84.5	152.8	0	0	0	0	0	107.6	L71 K75	L71-G73 PolarHBondContact O-N 3.25Å; G73-K75 PolarHBondContact O-N 2.77Å
74	S	32	Very low	40	Very low	91 Å²	91	124.4 Å²	124.4	64%	0.636	68%	0.676	S	S	*	*			trans	-79.2	81.3	162.9	-100.6	0	0	0	0	106.1	V72 I76	V72-S74 PolarHBondContact O-N 3.48Å; S74-I76 PolarHBondContact O-N 2.8Å; S74-I76 VanDerWaalsContact O-N 3.11Å
75	K	38.9	Very low	39.3	Very low	202 Å²	202	125 Å²	125	88%	0.878	67%	0.669	S	S	*	*			trans	-50.2	109.4	150.6	-179.6	176.6	-179.5	-178.5	0	107.4	G73	G73-K75 PolarHBondContact O-N 2.77Å
76	I	33.4	Very low	38.9	Very low	226 Å²	226	124.4 Å²	124.4	100%	1.159	66%	0.656	S	S	*	*			trans	-146.7	0	154.1	-1.2	153.2	0	0	0	106.9	S74	S74-I76 PolarHBondContact O-N 2.8Å; S74-I76 VanDerWaalsContact O-N 3.11Å

Retrieved 76 of 76 residues in 173.5 ms (Link to these results)

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