I3QJX8_HUMAN Loading...

Survival motor neuron protein

AlphaFold DB , UniProt , Accession I3QJX8, Species HUMAN (Homo sapiens, Human), Gene SMN1, Length 130 aa.

						>I3QJX8_HUMAN|I3QJX8|SMN1
NTAASLQQWKVGDKCSAIWSEDGCIYPATIASIDFKRETCVVVYTGYGNREEQNLSDLLSPICEVANNIEQNAQENENESQVSTDESENSRSPGNKSDNIKPKSAPWNSFLPPPPPMPGPRLGPGKEMLA
					

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	N	34.5	Very low	64.3	Low	207 Å²	207	110.7 Å²	110.7	100%	1.107	62%	0.619	S	S	*	*				0	70.9	0	48.7	-0.8	0	0	0	107.1	A3	N1-A3 PolarHBondContact O-N 3.5Å
2	T	36.8	Very low	66.8	Low	140 Å²	140	105.5 Å²	105.5	86%	0.859	61%	0.609	S	S	*	*			trans	-77.8	119.6	-175.9	-49.4	0	0	0	0	107.8	A4	T2-A4 VanDerWaalsContact C-N 3.26Å; T2-A4 PolarHBondContact O-N 2.67Å
3	A	42.4	Very low	68.8	Low	91 Å²	91	99.1 Å²	99.1	75%	0.752	57%	0.571	S	S	*	*			trans	-66.1	83.8	179.7	0	0	0	0	0	109.8	N1 S5	N1-A3 PolarHBondContact O-N 3.5Å; A3-S5 VanDerWaalsContact C-N 3.28Å; A3-S5 PolarHBondContact O-N 2.78Å; A3-S5 VanDerWaalsContact O-N 3.07Å
4	A	48	Very low	70.5	Confident	51 Å²	51	102.7 Å²	102.7	42%	0.421	58%	0.577	S	S	.	*			trans	-65.3	101.4	152.3	0	0	0	0	0	104.8	T2 L6 S56	T2-A4 VanDerWaalsContact C-N 3.26Å; T2-A4 PolarHBondContact O-N 2.67Å; A4-L6 PolarHBondContact O-N 2.82Å; A4-L6 VanDerWaalsContact O-N 3.17Å; A4-S56 WeakPolarHBondContact CB-O 3.39Å
5	S	54.3	Low	72	Confident	42 Å²	42	96 Å²	96	29%	0.294	54%	0.539	S	S	.	.			trans	-48.4	125.9	171.9	31.4	0	0	0	0	107.1	A3 Q7 S60	A3-S5 VanDerWaalsContact C-N 3.28Å; A3-S5 PolarHBondContact O-N 2.78Å; A3-S5 VanDerWaalsContact O-N 3.07Å; S5-Q7 PolarHBondContact O-N 3.04Å; S5-S60 PolarHBondContact OG-OG 3.03Å; S5-S60 VanDerWaalsContact OG-OG 3.1Å
6	L	57.1	Low	73.3	Confident	184 Å²	184	90.1 Å²	90.1	96%	0.963	51%	0.506	S	S	*	.			trans	-68.3	38.6	174.4	-74.7	164.2	0	0	0	110.9	A4 Q8	A4-L6 PolarHBondContact O-N 2.82Å; A4-L6 VanDerWaalsContact O-N 3.17Å; L6-Q8 PolarHBondContact O-N 3.39Å
7	Q	69.6	Low	74.4	Confident	90 Å²	90	84.8 Å²	84.8	42%	0.421	48%	0.476	S	S	.	.			trans	-70.9	121.2	177.6	-171.7	112.6	29.7	0	0	107.1	S5 W9	S5-Q7 PolarHBondContact O-N 3.04Å; Q7-W9 VanDerWaalsContact C-N 3.29Å; Q7-W9 HydrophobicContact CB-CD2 4.41Å; Q7-W9 HydrophobicContact CB-CZ2 4.28Å; Q7-W9 HydrophobicContact CG-CD2 4.22Å; Q7-W9 HydrophobicContact CG-CE3 4.09Å; Q7-W9 HydrophobicContact CG-CH2 4.37Å; Q7-W9 HydrophobicContact CG-CZ2 4.47Å; Q7-W9 HydrophobicContact CG-CZ3 4.17Å; Q7-W9 PolarHBondContact O-N 2.95Å
8	Q	85.4	Confident	75.3	Confident	179 Å²	179	84.6 Å²	84.6	84%	0.836	47%	0.473	S	S	*	.			trans	-73	91.9	170	-172.3	149.2	40.1	0	0	108.6	L6	L6-Q8 PolarHBondContact O-N 3.39Å
9	W	90.4	Very high	76.2	Confident	19 Å²	19	81.4 Å²	81.4	7%	0.072	45%	0.453	C	S	.	.			trans	-61	136.3	179.6	-67.2	118	0	0	0	111.8	Q7 D13 C15 I30 I33 L55 L58 L59	Q7-W9 VanDerWaalsContact C-N 3.29Å; Q7-W9 HydrophobicContact CB-CD2 4.41Å; Q7-W9 HydrophobicContact CB-CZ2 4.28Å; Q7-W9 HydrophobicContact CG-CD2 4.22Å; Q7-W9 HydrophobicContact CG-CE3 4.09Å; Q7-W9 HydrophobicContact CG-CH2 4.37Å; Q7-W9 HydrophobicContact CG-CZ2 4.47Å; Q7-W9 HydrophobicContact CG-CZ3 4.17Å; Q7-W9 PolarHBondContact O-N 2.95Å; W9-D13 HydrophobicContact CE3-CB 4Å; W9-D13 HydrophobicContact CZ3-CB 4.26Å; W9-C15 HydrophobicContact CH2-CB 3.71Å; W9-C15 HydrophobicContact CZ3-CB 3.71Å; W9-I30 HydrophobicContact CB-CD1 3.66Å; W9-I30 HydrophobicContact CD2-CD1 3.82Å; W9-I30 HydrophobicContact CE3-CD1 3.54Å; W9-I30 HydrophobicContact CG-CD1 3.9Å; W9-I30 HydrophobicContact CZ3-CD1 4.4Å; W9-I33 HydrophobicContact CB-CD1 4.17Å; W9-I33 WeakPolarHBondContact O-CD1 3.5Å; W9-L55 HydrophobicContact CB-CD2 3.93Å; W9-L55 HydrophobicContact CG-CD2 4.25Å; W9-L55 PolarHBondContact NE1-O 2.81Å; W9-L58 HydrophobicContact CD2-CB 4.48Å; W9-L58 HydrophobicContact CD2-CD1 3.82Å; W9-L58 HydrophobicContact CE3-CD1 4.43Å; W9-L58 HydrophobicContact CG-CD1 3.91Å; W9-L58 HydrophobicContact CH2-CB 4.45Å; W9-L58 HydrophobicContact CZ2-CB 3.6Å; W9-L58 HydrophobicContact CZ2-CD1 4.35Å; W9-L59 WeakPolarHBondContact CH2-O 3.3Å
10	K	93.2	Very high	76.7	Confident	128 Å²	128	81.9 Å²	81.9	56%	0.557	46%	0.462	S	S	*	.			trans	-128.4	160	169.6	62	178.1	179.1	-54.7	0	111.7	G12 D13 I33	K10-G12 PolarHBondContact O-N 3.04Å; K10-D13 VanDerWaalsContact CE-OD1 3.3Å; K10-D13 WeakPolarHBondContact CE-OD1 3.35Å; K10-D13 VanDerWaalsContact CG-CG 3.45Å; K10-D13 VanDerWaalsContact CG-OD1 3.31Å; K10-D13 WeakPolarHBondContact CG-OD1 3.28Å; K10-D13 VanDerWaalsContact CG-OD2 3.28Å; K10-D13 WeakPolarHBondContact CG-OD2 3.31Å; K10-D13 PolarHBondContact N-OD2 2.97Å; K10-D13 IonicContact NZ-OD1 2.67Å; K10-D13 PolarHBondContact NZ-OD1 3.1Å; K10-D13 IonicContact NZ-OD2 3.5Å; K10-D13 PolarHBondContact NZ-OD2 3.36Å; K10-D13 WeakPolarHBondContact O-CB 3.32Å; K10-D13 PolarHBondContact O-N 2.92Å; K10-D13 VanDerWaalsContact O-N 3.1Å; K10-I33 VanDerWaalsContact CA-CD1 3.48Å
11	V	95.3	Very high	77.2	Confident	87 Å²	87	84 Å²	84	53%	0.527	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	132.1	172.7	178.3	0	0	0	0	109.6	A31 I33	V11-A31 VanDerWaalsContact CG1-O 3.32Å; V11-A31 WeakPolarHBondContact CG1-O 3.48Å; V11-I33 HydrophobicContact CG2-CD1 4.47Å; V11-I33 HydrophobicContact CG2-CG1 4.11Å
12	G	94.4	Very high	79.7	Confident	48 Å²	48	78.7 Å²	78.7	50%	0.495	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-9.2	-176	0	0	0	0	0	114.7	K10 I30	K10-G12 PolarHBondContact O-N 3.04Å; G12-I30 PolarHBondContact N-O 2.95Å
13	D	92.5	Very high	82.2	Confident	22 Å²	22	74.6 Å²	74.6	12%	0.118	43%	0.425	C	S	.	.			trans	-65.9	138.4	176.3	-79.1	-12	0	0	0	111.5	W9 K10 T29 I30	W9-D13 HydrophobicContact CE3-CB 4Å; W9-D13 HydrophobicContact CZ3-CB 4.26Å; K10-D13 VanDerWaalsContact CE-OD1 3.3Å; K10-D13 WeakPolarHBondContact CE-OD1 3.35Å; K10-D13 VanDerWaalsContact CG-CG 3.45Å; K10-D13 VanDerWaalsContact CG-OD1 3.31Å; K10-D13 WeakPolarHBondContact CG-OD1 3.28Å; K10-D13 VanDerWaalsContact CG-OD2 3.28Å; K10-D13 WeakPolarHBondContact CG-OD2 3.31Å; K10-D13 PolarHBondContact N-OD2 2.97Å; K10-D13 IonicContact NZ-OD1 2.67Å; K10-D13 PolarHBondContact NZ-OD1 3.1Å; K10-D13 IonicContact NZ-OD2 3.5Å; K10-D13 PolarHBondContact NZ-OD2 3.36Å; K10-D13 WeakPolarHBondContact O-CB 3.32Å; K10-D13 PolarHBondContact O-N 2.92Å; K10-D13 VanDerWaalsContact O-N 3.1Å; D13-T29 WeakPolarHBondContact O-CA 3.33Å; D13-I30 HydrophobicContact CB-CD1 4.14Å; D13-I30 HydrophobicContact CB-CG1 4.48Å; D13-I30 PolarHBondContact O-N 2.89Å
14	K	93.2	Very high	84.5	Confident	150 Å²	150	73.2 Å²	73.2	65%	0.652	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.3	169	-66	173.9	-179.3	-75.5	0	108.1	P61	K14-P61 HydrophobicContact CB-CB 4.05Å; K14-P61 HydrophobicContact CB-CG 4.47Å; K14-P61 WeakPolarHBondContact O-CD 3.41Å; K14-P61 WeakPolarHBondContact O-CG 3.19Å
15	C	92.4	Very high	86.5	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.014	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	177.9	178.9	64.3	0	0	0	0	109.7	W9 A28	W9-C15 HydrophobicContact CH2-CB 3.71Å; W9-C15 HydrophobicContact CZ3-CB 3.71Å; C15-A28 PolarHBondContact N-O 2.94Å; C15-A28 PolarHBondContact O-N 2.76Å
16	S	92.6	Very high	88.3	Confident	1 Å²	1	74.9 Å²	74.9	1%	0.007	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.2	166.9	-51.7	0	0	0	0	108.4	Y26 L59 S60 I62	S16-Y26 WeakPolarHBondContact CA-O 3.32Å; S16-L59 PolarHBondContact N-O 3.48Å; S16-L59 WeakPolarHBondContact O-CB 3.44Å; S16-L59 PolarHBondContact O-N 3.47Å; S16-S60 PolarHBondContact OG-O 3.36Å; S16-I62 PolarHBondContact OG-N 2.72Å
17	A	92.1	Very high	89.9	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	146.3	-179.6	0	0	0	0	0	110.3	I25 Y26 V42 Y44 Q53 L58	A17-I25 WeakPolarHBondContact O-CA 3.47Å; A17-Y26 PolarHBondContact N-O 2.8Å; A17-Y26 PolarHBondContact O-N 3.33Å; A17-V42 HydrophobicContact CB-CG2 4.18Å; A17-Y44 HydrophobicContact CB-CE1 4.03Å; A17-Q53 HydrophobicContact CB-CG 4.39Å; A17-L58 HydrophobicContact CB-CD2 4.29Å
18	I	91.8	Very high	91.1	Very high	82 Å²	82	65 Å²	65	42%	0.421	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	129.7	170.9	-64.3	171.8	0	0	0	107.6	C24 I25 Y44 Q53	I18-C24 CarbonylContact C-O 3.57Å; I18-C24 WeakPolarHBondContact CA-O 3.34Å; I18-I25 HydrophobicContact CG1-CG1 3.81Å; I18-Y44 PolarHBondContact O-OH 2.8Å; I18-Q53 PolarHBondContact O-NE2 3.42Å
19	W	91.2	Very high	91.6	Very high	23 Å²	23	58.6 Å²	58.6	9%	0.087	33%	0.332	C	S	.	.			trans	-87	128	174.5	-174.7	29.3	0	0	0	110.4	E21 D22 G23 C24 Y26 Y44 P115	W19-E21 HydrophobicContact CD2-CB 3.91Å; W19-E21 HydrophobicContact CE3-CB 4.24Å; W19-E21 HydrophobicContact CG-CB 4.47Å; W19-E21 HydrophobicContact CH2-CB 4.04Å; W19-E21 HydrophobicContact CH2-CG 4.26Å; W19-E21 HydrophobicContact CZ2-CB 3.68Å; W19-E21 HydrophobicContact CZ2-CG 4.17Å; W19-E21 HydrophobicContact CZ3-CB 4.31Å; W19-E21 PolarHBondContact O-N 3.33Å; W19-E21 VanDerWaalsContact O-N 3.16Å; W19-D22 WeakPolarHBondContact CZ3-OD2 3.32Å; W19-D22 PolarHBondContact O-N 2.73Å; W19-G23 VanDerWaalsContact O-CA 3.31Å; W19-G23 WeakPolarHBondContact O-CA 3.25Å; W19-G23 PolarHBondContact O-N 2.85Å; W19-C24 PolarHBondContact N-O 2.8Å; W19-Y26 HydrophobicContact CB-CD2 3.61Å; W19-Y26 HydrophobicContact CB-CE2 3.88Å; W19-Y26 HydrophobicContact CD2-CE2 4.45Å; W19-Y26 HydrophobicContact CE3-CD2 4.33Å; W19-Y26 AromaticContact CE3-CE2 3.72Å; W19-Y26 HydrophobicContact CE3-CE2 3.72Å; W19-Y26 HydrophobicContact CG-CD2 4.49Å; W19-Y44 WeakPolarHBondContact CA-OH 3.35Å; W19-Y44 HydrophobicContact CB-CE1 4.1Å; W19-Y44 AromaticContact CD1-CE2 3.91Å; W19-Y44 HydrophobicContact CG-CE2 4.44Å; W19-P115 HydrophobicContact CH2-CB 4.12Å; W19-P115 HydrophobicContact CH2-CG 4.16Å; W19-P115 HydrophobicContact CZ2-CB 3.78Å; W19-P115 HydrophobicContact CZ2-CG 3.73Å
20	S	86.9	Confident	91.8	Very high	92 Å²	92	57.8 Å²	57.8	64%	0.643	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-19.6	-173.2	-68.3	0	0	0	0	114.7	E51	S20-E51 PolarHBondContact OG-OE1 3.15Å
21	E	86.2	Confident	91.9	Very high	127 Å²	127	53.1 Å²	53.1	59%	0.593	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-48.8	-180	-164.6	77.8	86.5	0	0	112.2	W19	W19-E21 HydrophobicContact CD2-CB 3.91Å; W19-E21 HydrophobicContact CE3-CB 4.24Å; W19-E21 HydrophobicContact CG-CB 4.47Å; W19-E21 HydrophobicContact CH2-CB 4.04Å; W19-E21 HydrophobicContact CH2-CG 4.26Å; W19-E21 HydrophobicContact CZ2-CB 3.68Å; W19-E21 HydrophobicContact CZ2-CG 4.17Å; W19-E21 HydrophobicContact CZ3-CB 4.31Å; W19-E21 PolarHBondContact O-N 3.33Å; W19-E21 VanDerWaalsContact O-N 3.16Å
22	D	88.9	Confident	91.9	Very high	95 Å²	95	51.3 Å²	51.3	51%	0.508	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-8.6	-174.3	-64.1	-69.1	0	0	0	113.9	W19 C24	W19-D22 WeakPolarHBondContact CZ3-OD2 3.32Å; W19-D22 PolarHBondContact O-N 2.73Å; D22-C24 HydrophobicContact CB-CB 4.41Å; D22-C24 PolarHBondContact O-N 3.21Å
23	G	88.4	Confident	91.9	Very high	53 Å²	53	50.1 Å²	50.1	55%	0.546	29%	0.288	S	S	.	.			trans	67.2	13.6	-173.6	0	0	0	0	0	114.3	W19	W19-G23 VanDerWaalsContact O-CA 3.31Å; W19-G23 WeakPolarHBondContact O-CA 3.25Å; W19-G23 PolarHBondContact O-N 2.85Å
24	C	90.1	Very high	92	Very high	62 Å²	62	52.5 Å²	52.5	42%	0.419	30%	0.301	S	S	.	.			trans	-92.5	151.2	-179.9	-70.4	0	0	0	0	111.7	I18 W19 D22 Y26	I18-C24 CarbonylContact C-O 3.57Å; I18-C24 WeakPolarHBondContact CA-O 3.34Å; W19-C24 PolarHBondContact N-O 2.8Å; D22-C24 HydrophobicContact CB-CB 4.41Å; D22-C24 PolarHBondContact O-N 3.21Å; C24-Y26 HydrophobicContact CB-CD2 4.33Å; C24-Y26 HydrophobicContact CB-CE2 3.57Å; C24-Y26 VanDerWaalsContact O-CD2 3.25Å; C24-Y26 WeakPolarHBondContact O-CD2 3.44Å
25	I	90.2	Very high	91.8	Very high	87 Å²	87	52.6 Å²	52.6	45%	0.446	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128.2	179.4	-60.8	163.2	0	0	0	109.8	A17 I18 L59 I62	A17-I25 WeakPolarHBondContact O-CA 3.47Å; I18-I25 HydrophobicContact CG1-CG1 3.81Å; I25-L59 HydrophobicContact CD1-CD1 3.65Å; I25-L59 HydrophobicContact CG1-CD1 3.89Å; I25-L59 HydrophobicContact CG2-CD1 3.92Å; I25-I62 HydrophobicContact CG2-CD1 4.29Å
26	Y	91.9	Very high	91.8	Very high	41 Å²	41	62.4 Å²	62.4	16%	0.161	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	147.9	178.1	-68.9	-83.6	0	0	0	111.9	S16 A17 W19 C24 A28 Y47	S16-Y26 WeakPolarHBondContact CA-O 3.32Å; A17-Y26 PolarHBondContact N-O 2.8Å; A17-Y26 PolarHBondContact O-N 3.33Å; W19-Y26 HydrophobicContact CB-CD2 3.61Å; W19-Y26 HydrophobicContact CB-CE2 3.88Å; W19-Y26 HydrophobicContact CD2-CE2 4.45Å; W19-Y26 HydrophobicContact CE3-CD2 4.33Å; W19-Y26 AromaticContact CE3-CE2 3.72Å; W19-Y26 HydrophobicContact CE3-CE2 3.72Å; W19-Y26 HydrophobicContact CG-CD2 4.49Å; C24-Y26 HydrophobicContact CB-CD2 4.33Å; C24-Y26 HydrophobicContact CB-CE2 3.57Å; C24-Y26 VanDerWaalsContact O-CD2 3.25Å; C24-Y26 WeakPolarHBondContact O-CD2 3.44Å; Y26-A28 PolarHBondContact O-N 3.28Å; Y26-Y47 HydrophobicContact CD1-CE2 4.01Å; Y26-Y47 HydrophobicContact CE1-CE2 4.36Å
27	P	92.3	Very high	91.6	Very high	67 Å²	67	69.3 Å²	69.3	44%	0.435	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.5	173.9	27.4	-33.6	0	0	0	110	T45	P27-T45 WeakPolarHBondContact O-CB 3.39Å; P27-T45 PolarHBondContact O-N 3.46Å; P27-T45 PolarHBondContact O-OG1 3.34Å
28	A	94	Very high	91.6	Very high	1 Å²	1	75.8 Å²	75.8	1%	0.008	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	169	-178.2	0	0	0	0	0	111.6	C15 Y26 V42 V43 Y44	C15-A28 PolarHBondContact N-O 2.94Å; C15-A28 PolarHBondContact O-N 2.76Å; Y26-A28 PolarHBondContact O-N 3.28Å; A28-V42 HydrophobicContact CB-CB 3.95Å; A28-V42 HydrophobicContact CB-CG2 4.28Å; A28-V43 CarbonylContact C-O 3.49Å; A28-V43 WeakPolarHBondContact CA-O 3.17Å; A28-V43 WeakPolarHBondContact CB-O 3.27Å; A28-Y44 HydrophobicContact CB-CD1 4.08Å; A28-Y44 HydrophobicContact CB-CE1 4.47Å
29	T	94.9	Very high	91.7	Very high	43 Å²	43	72.1 Å²	72.1	26%	0.264	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.2	175	-55.6	0	0	0	0	109.4	D13 A31 V42 V43	D13-T29 WeakPolarHBondContact O-CA 3.33Å; T29-A31 PolarHBondContact O-N 3.2Å; T29-V42 CarbonylContact O-C 3.46Å; T29-V42 WeakPolarHBondContact O-CA 3.42Å; T29-V43 PolarHBondContact N-O 2.85Å; T29-V43 PolarHBondContact O-N 3.39Å
30	I	95.6	Very high	91.9	Very high	2 Å²	2	71 Å²	71	1%	0.01	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	116.5	178.3	-56.6	-177	0	0	0	109.3	W9 G12 D13 I33 C40 V42 L58	W9-I30 HydrophobicContact CB-CD1 3.66Å; W9-I30 HydrophobicContact CD2-CD1 3.82Å; W9-I30 HydrophobicContact CE3-CD1 3.54Å; W9-I30 HydrophobicContact CG-CD1 3.9Å; W9-I30 HydrophobicContact CZ3-CD1 4.4Å; G12-I30 PolarHBondContact N-O 2.95Å; D13-I30 HydrophobicContact CB-CD1 4.14Å; D13-I30 HydrophobicContact CB-CG1 4.48Å; D13-I30 PolarHBondContact O-N 2.89Å; I30-I33 HydrophobicContact CG2-CD1 3.99Å; I30-I33 HydrophobicContact CG2-CG1 3.55Å; I30-C40 HydrophobicContact CG2-CB 4.21Å; I30-V42 HydrophobicContact CG1-CG1 4.46Å; I30-L58 HydrophobicContact CD1-CD1 3.6Å; I30-L58 HydrophobicContact CG1-CD1 4.11Å
31	A	95.6	Very high	92.3	Very high	30 Å²	30	68 Å²	68	25%	0.248	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-32.7	178.1	0	0	0	0	0	112.8	V11 T29 V41 V43	V11-A31 VanDerWaalsContact CG1-O 3.32Å; V11-A31 WeakPolarHBondContact CG1-O 3.48Å; T29-A31 PolarHBondContact O-N 3.2Å; A31-V41 WeakPolarHBondContact CA-O 3.37Å; A31-V41 HydrophobicContact CB-CG1 4.43Å; A31-V41 WeakPolarHBondContact CB-O 3.47Å; A31-V41 PolarHBondContact N-O 2.91Å; A31-V43 HydrophobicContact CB-CG2 3.7Å
32	S	95.4	Very high	92.7	Very high	49 Å²	49	62 Å²	62	34%	0.343	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	153.1	-178.6	-57.9	0	0	0	0	110.1	C40 V41	S32-C40 CarbonylContact O-C 3.59Å; S32-C40 VanDerWaalsContact O-CA 3.25Å; S32-C40 WeakPolarHBondContact O-CA 3.36Å; S32-C40 WeakPolarHBondContact O-CB 3.35Å; S32-V41 PolarHBondContact N-O 3.06Å; S32-V41 PolarHBondContact O-N 2.79Å
33	I	94.8	Very high	93.1	Very high	24 Å²	24	59.5 Å²	59.5	12%	0.123	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	133.5	178.2	-60.4	179.3	0	0	0	109.5	W9 K10 V11 I30 F35 C40 L55	W9-I33 HydrophobicContact CB-CD1 4.17Å; W9-I33 WeakPolarHBondContact O-CD1 3.5Å; K10-I33 VanDerWaalsContact CA-CD1 3.48Å; V11-I33 HydrophobicContact CG2-CD1 4.47Å; V11-I33 HydrophobicContact CG2-CG1 4.11Å; I30-I33 HydrophobicContact CG2-CD1 3.99Å; I30-I33 HydrophobicContact CG2-CG1 3.55Å; I33-F35 HydrophobicContact CB-CE2 4.36Å; I33-F35 HydrophobicContact CB-CZ 4.23Å; I33-F35 HydrophobicContact CG2-CD1 3.85Å; I33-F35 HydrophobicContact CG2-CD2 4.21Å; I33-F35 HydrophobicContact CG2-CE1 3.64Å; I33-F35 HydrophobicContact CG2-CE2 4.03Å; I33-F35 HydrophobicContact CG2-CG 4.13Å; I33-F35 HydrophobicContact CG2-CZ 3.74Å; I33-C40 HydrophobicContact CG1-CB 4.13Å; I33-L55 HydrophobicContact CD1-CD2 4.43Å; I33-L55 HydrophobicContact CG1-CD2 4.44Å; I33-L55 HydrophobicContact CG2-CD1 3.93Å; I33-L55 HydrophobicContact CG2-CD2 4.12Å
34	D	93.3	Very high	93.3	Very high	72 Å²	72	57.1 Å²	57.1	39%	0.385	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	83.4	175.8	-73.5	-77.9	0	0	0	109.9	K36 R37 E38 T39	D34-K36 PolarHBondContact O-N 2.77Å; D34-R37 HydrophobicContact CB-CB 4.33Å; D34-R37 PolarHBondContact O-N 3.17Å; D34-E38 PolarHBondContact O-N 3.07Å; D34-T39 PolarHBondContact N-O 3.1Å; D34-T39 PolarHBondContact O-N 3.26Å
35	F	89.3	Confident	93.3	Very high	151 Å²	151	57.6 Å²	57.6	66%	0.662	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.2	-178.4	-61.9	-74.2	0	0	0	114.1	I33	I33-F35 HydrophobicContact CB-CE2 4.36Å; I33-F35 HydrophobicContact CB-CZ 4.23Å; I33-F35 HydrophobicContact CG2-CD1 3.85Å; I33-F35 HydrophobicContact CG2-CD2 4.21Å; I33-F35 HydrophobicContact CG2-CE1 3.64Å; I33-F35 HydrophobicContact CG2-CE2 4.03Å; I33-F35 HydrophobicContact CG2-CG 4.13Å; I33-F35 HydrophobicContact CG2-CZ 3.74Å
36	K	91.6	Very high	93.3	Very high	208 Å²	208	56.2 Å²	56.2	90%	0.904	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-31.3	177.4	-171.5	178	179.3	-161.7	0	112.8	D34	D34-K36 PolarHBondContact O-N 2.77Å
37	R	90.4	Very high	93.1	Very high	147 Å²	147	56.7 Å²	56.7	56%	0.555	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	-6.8	-178.8	-66.5	-178.7	67	-151.2	-10	112.2	D34 T39 E52	D34-R37 HydrophobicContact CB-CB 4.33Å; D34-R37 PolarHBondContact O-N 3.17Å; R37-T39 HydrophobicContact CB-CG2 4.21Å; R37-T39 WeakPolarHBondContact CB-OG1 3.32Å; R37-T39 PolarHBondContact O-N 3.26Å; R37-E52 IonicContact CZ-OE1 3.45Å; R37-E52 IonicContact CZ-OE2 3.58Å; R37-E52 IonicContact NH1-OE1 3.42Å; R37-E52 PolarHBondContact NH1-OE1 3.3Å; R37-E52 IonicContact NH1-OE2 2.8Å; R37-E52 PolarHBondContact NH1-OE2 2.92Å; R37-E52 IonicContact NH2-OE1 2.77Å; R37-E52 PolarHBondContact NH2-OE1 2.92Å; R37-E52 IonicContact NH2-OE2 3.65Å
38	E	91.1	Very high	92.9	Very high	136 Å²	136	55.8 Å²	55.8	64%	0.636	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	30.3	-172.6	-58.3	178.3	95.4	0	0	112.4	D34 L55	D34-E38 PolarHBondContact O-N 3.07Å; E38-L55 WeakPolarHBondContact O-CB 3.25Å; E38-L55 WeakPolarHBondContact O-CG 3.41Å; E38-L55 PolarHBondContact O-N 3.33Å
39	T	94.1	Very high	92.8	Very high	5 Å²	5	58 Å²	58	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	164.8	179	57.8	0	0	0	0	111.3	D34 R37 E52 Q53	D34-T39 PolarHBondContact N-O 3.1Å; D34-T39 PolarHBondContact O-N 3.26Å; R37-T39 HydrophobicContact CB-CG2 4.21Å; R37-T39 WeakPolarHBondContact CB-OG1 3.32Å; R37-T39 PolarHBondContact O-N 3.26Å; T39-E52 HydrophobicContact CG2-CG 4.4Å; T39-Q53 CarbonylContact C-O 3.52Å; T39-Q53 WeakPolarHBondContact CA-O 3.21Å
40	C	94.8	Very high	92.7	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.3	174.4	67.1	0	0	0	0	110.4	I30 S32 I33 E52 Q53 L55 L58	I30-C40 HydrophobicContact CG2-CB 4.21Å; S32-C40 CarbonylContact O-C 3.59Å; S32-C40 VanDerWaalsContact O-CA 3.25Å; S32-C40 WeakPolarHBondContact O-CA 3.36Å; S32-C40 WeakPolarHBondContact O-CB 3.35Å; I33-C40 HydrophobicContact CG1-CB 4.13Å; C40-E52 CarbonylContact O-C 3.52Å; C40-E52 WeakPolarHBondContact O-CA 3.39Å; C40-Q53 PolarHBondContact N-O 3.44Å; C40-Q53 PolarHBondContact O-N 2.93Å; C40-Q53 PolarHBondContact SG-O 3.4Å; C40-Q53 VanDerWaalsContact SG-O 3.39Å; C40-L55 HydrophobicContact CB-CD2 3.67Å; C40-L55 HydrophobicContact CB-CG 4.4Å; C40-L58 VanDerWaalsContact SG-CD1 3.58Å
41	V	95.9	Very high	92.5	Very high	29 Å²	29	65.1 Å²	65.1	18%	0.176	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	120.7	169.4	178.9	0	0	0	0	107.7	A31 S32 R50 E51	A31-V41 WeakPolarHBondContact CA-O 3.37Å; A31-V41 HydrophobicContact CB-CG1 4.43Å; A31-V41 WeakPolarHBondContact CB-O 3.47Å; A31-V41 PolarHBondContact N-O 2.91Å; S32-V41 PolarHBondContact N-O 3.06Å; S32-V41 PolarHBondContact O-N 2.79Å; V41-R50 HydrophobicContact CG1-CB 4.07Å; V41-E51 CarbonylContact C-O 3.58Å; V41-E51 WeakPolarHBondContact CA-O 3.38Å
42	V	94.9	Very high	92.5	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	151.1	175	-61.8	0	0	0	0	110.9	A17 A28 T29 I30 Y44 R50 E51 Q53 L58	A17-V42 HydrophobicContact CB-CG2 4.18Å; A28-V42 HydrophobicContact CB-CB 3.95Å; A28-V42 HydrophobicContact CB-CG2 4.28Å; T29-V42 CarbonylContact O-C 3.46Å; T29-V42 WeakPolarHBondContact O-CA 3.42Å; I30-V42 HydrophobicContact CG1-CG1 4.46Å; V42-Y44 HydrophobicContact CG2-CE2 4.31Å; V42-R50 WeakPolarHBondContact O-CA 3.04Å; V42-E51 PolarHBondContact N-O 3.38Å; V42-E51 PolarHBondContact O-N 2.95Å; V42-Q53 HydrophobicContact CG2-CG 3.94Å; V42-L58 HydrophobicContact CG1-CD2 3.69Å
43	V	95.9	Very high	92.4	Very high	42 Å²	42	67 Å²	67	26%	0.255	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.6	170.4	179.4	0	0	0	0	108.1	A28 T29 A31 T45 N49 R50	A28-V43 CarbonylContact C-O 3.49Å; A28-V43 WeakPolarHBondContact CA-O 3.17Å; A28-V43 WeakPolarHBondContact CB-O 3.27Å; T29-V43 PolarHBondContact N-O 2.85Å; T29-V43 PolarHBondContact O-N 3.39Å; A31-V43 HydrophobicContact CB-CG2 3.7Å; V43-T45 PolarHBondContact O-N 2.8Å; V43-N49 CarbonylContact C-O 3.53Å; V43-N49 VanDerWaalsContact CA-O 3.32Å; V43-N49 WeakPolarHBondContact CA-O 3.27Å; V43-R50 HydrophobicContact CG2-CG 3.8Å
44	Y	93.4	Very high	92.3	Very high	4 Å²	4	69.6 Å²	69.6	2%	0.016	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	124.1	178.6	-67.3	-81.8	0	0	0	111.1	A17 I18 W19 A28 V42 G46 Y47 G48 N49 E51	A17-Y44 HydrophobicContact CB-CE1 4.03Å; I18-Y44 PolarHBondContact O-OH 2.8Å; W19-Y44 WeakPolarHBondContact CA-OH 3.35Å; W19-Y44 HydrophobicContact CB-CE1 4.1Å; W19-Y44 AromaticContact CD1-CE2 3.91Å; W19-Y44 HydrophobicContact CG-CE2 4.44Å; A28-Y44 HydrophobicContact CB-CD1 4.08Å; A28-Y44 HydrophobicContact CB-CE1 4.47Å; V42-Y44 HydrophobicContact CG2-CE2 4.31Å; Y44-G46 PolarHBondContact O-N 3.23Å; Y44-Y47 PolarHBondContact O-N 3.37Å; Y44-G48 PolarHBondContact O-N 3.21Å; Y44-N49 HydrophobicContact CD2-CB 4.17Å; Y44-N49 PolarHBondContact N-O 3Å; Y44-E51 HydrophobicContact CE2-CB 3.89Å
45	T	90.5	Very high	92.2	Very high	72 Å²	72	67.6 Å²	67.6	44%	0.442	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	129.9	-178.5	-51.3	0	0	0	0	109.2	P27 V43 Y47	P27-T45 WeakPolarHBondContact O-CB 3.39Å; P27-T45 PolarHBondContact O-N 3.46Å; P27-T45 PolarHBondContact O-OG1 3.34Å; V43-T45 PolarHBondContact O-N 2.8Å; T45-Y47 VanDerWaalsContact C-N 3.32Å; T45-Y47 WeakPolarHBondContact O-CD2 3.45Å; T45-Y47 PolarHBondContact O-N 3.05Å
46	G	88.6	Confident	92.2	Very high	57 Å²	57	64.2 Å²	64.2	59%	0.588	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-23.3	-177.8	0	0	0	0	0	114.8	Y44	Y44-G46 PolarHBondContact O-N 3.23Å
47	Y	88.9	Confident	92.1	Very high	52 Å²	52	58.8 Å²	58.8	20%	0.204	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-32.8	-179.9	-49.1	-84	0	0	0	113.6	Y26 Y44 T45 N49 L111 P112	Y26-Y47 HydrophobicContact CD1-CE2 4.01Å; Y26-Y47 HydrophobicContact CE1-CE2 4.36Å; Y44-Y47 PolarHBondContact O-N 3.37Å; T45-Y47 VanDerWaalsContact C-N 3.32Å; T45-Y47 WeakPolarHBondContact O-CD2 3.45Å; T45-Y47 PolarHBondContact O-N 3.05Å; Y47-N49 VanDerWaalsContact CB-ND2 3.29Å; Y47-N49 WeakPolarHBondContact CB-ND2 3.36Å; Y47-N49 PolarHBondContact O-N 2.89Å; Y47-L111 HydrophobicContact CE1-CB 4.36Å; Y47-L111 HydrophobicContact CE1-CD2 4.41Å; Y47-P112 HydrophobicContact CE1-CB 4.48Å; Y47-P112 HydrophobicContact CE1-CG 3.58Å; Y47-P112 WeakPolarHBondContact OH-CD 3.29Å; Y47-P112 WeakPolarHBondContact OH-CG 3.47Å
48	G	88.9	Confident	92.1	Very high	48 Å²	48	51.9 Å²	51.9	50%	0.495	29%	0.289	S	S	.	.			trans	76.9	-0.9	-177.1	0	0	0	0	0	114.7	Y44	Y44-G48 PolarHBondContact O-N 3.21Å
49	N	90.5	Very high	92	Very high	46 Å²	46	48.3 Å²	48.3	25%	0.246	27%	0.273	C	S	.	.			trans	-61.9	143.5	173.9	-56.5	-41.8	0	0	0	110.5	V43 Y44 Y47 P115	V43-N49 CarbonylContact C-O 3.53Å; V43-N49 VanDerWaalsContact CA-O 3.32Å; V43-N49 WeakPolarHBondContact CA-O 3.27Å; Y44-N49 HydrophobicContact CD2-CB 4.17Å; Y44-N49 PolarHBondContact N-O 3Å; Y47-N49 VanDerWaalsContact CB-ND2 3.29Å; Y47-N49 WeakPolarHBondContact CB-ND2 3.36Å; Y47-N49 PolarHBondContact O-N 2.89Å; N49-P115 VanDerWaalsContact ND2-CD 3.34Å; N49-P115 WeakPolarHBondContact ND2-CD 3.31Å; N49-P115 WeakPolarHBondContact ND2-CG 3.24Å; N49-P115 WeakPolarHBondContact OD1-CG 3.02Å
50	R	92.9	Very high	91.7	Very high	158 Å²	158	50.6 Å²	50.6	60%	0.596	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	134.8	179.8	-55.2	-179.1	75.3	-159.4	3.7	110.4	V41 V42 V43	V41-R50 HydrophobicContact CG1-CB 4.07Å; V42-R50 WeakPolarHBondContact O-CA 3.04Å; V43-R50 HydrophobicContact CG2-CG 3.8Å
51	E	92.6	Very high	91.2	Very high	37 Å²	37	53.4 Å²	53.4	17%	0.173	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	143.7	-179.9	-164.8	174.3	113	0	0	111.2	S20 V41 V42 Y44 Q53	S20-E51 PolarHBondContact OG-OE1 3.15Å; V41-E51 CarbonylContact C-O 3.58Å; V41-E51 WeakPolarHBondContact CA-O 3.38Å; V42-E51 PolarHBondContact N-O 3.38Å; V42-E51 PolarHBondContact O-N 2.95Å; Y44-E51 HydrophobicContact CE2-CB 3.89Å; E51-Q53 PolarHBondContact OE1-NE2 2.87Å
52	E	94.8	Very high	90.3	Very high	93 Å²	93	58 Å²	58	44%	0.435	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	123.6	171.7	-175	178.3	98	0	0	108.8	R37 T39 C40	R37-E52 IonicContact CZ-OE1 3.45Å; R37-E52 IonicContact CZ-OE2 3.58Å; R37-E52 IonicContact NH1-OE1 3.42Å; R37-E52 PolarHBondContact NH1-OE1 3.3Å; R37-E52 IonicContact NH1-OE2 2.8Å; R37-E52 PolarHBondContact NH1-OE2 2.92Å; R37-E52 IonicContact NH2-OE1 2.77Å; R37-E52 PolarHBondContact NH2-OE1 2.92Å; R37-E52 IonicContact NH2-OE2 3.65Å; T39-E52 HydrophobicContact CG2-CG 4.4Å; C40-E52 CarbonylContact O-C 3.52Å; C40-E52 WeakPolarHBondContact O-CA 3.39Å
53	Q	93.9	Very high	88.7	Confident	26 Å²	26	63.1 Å²	63.1	12%	0.121	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	150	-176.3	-77.6	-69	-23.7	0	0	110	A17 I18 T39 C40 V42 E51 L58	A17-Q53 HydrophobicContact CB-CG 4.39Å; I18-Q53 PolarHBondContact O-NE2 3.42Å; T39-Q53 CarbonylContact C-O 3.52Å; T39-Q53 WeakPolarHBondContact CA-O 3.21Å; C40-Q53 PolarHBondContact N-O 3.44Å; C40-Q53 PolarHBondContact O-N 2.93Å; C40-Q53 PolarHBondContact SG-O 3.4Å; C40-Q53 VanDerWaalsContact SG-O 3.39Å; V42-Q53 HydrophobicContact CG2-CG 3.94Å; E51-Q53 PolarHBondContact OE1-NE2 2.87Å; Q53-L58 HydrophobicContact CB-CD2 4.26Å
54	N	92.6	Very high	86.8	Confident	79 Å²	79	70.2 Å²	70.2	42%	0.422	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	140.5	173.7	-64.4	-18.1	0	0	0	109.8	S56 D57 L58	N54-S56 PolarHBondContact O-N 3.02Å; N54-D57 HydrophobicContact CB-CB 4.12Å; N54-D57 VanDerWaalsContact CB-OD2 3.27Å; N54-D57 WeakPolarHBondContact CB-OD2 3.49Å; N54-D57 PolarHBondContact ND2-OD2 3.34Å; N54-D57 PolarHBondContact O-N 3.33Å; N54-L58 PolarHBondContact O-N 2.84Å
55	L	89.9	Confident	84.6	Confident	30 Å²	30	75.9 Å²	75.9	16%	0.157	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-32.6	175.9	-71.4	172.1	0	0	0	112.3	W9 I33 E38 C40 D57 L58	W9-L55 HydrophobicContact CB-CD2 3.93Å; W9-L55 HydrophobicContact CG-CD2 4.25Å; W9-L55 PolarHBondContact NE1-O 2.81Å; I33-L55 HydrophobicContact CD1-CD2 4.43Å; I33-L55 HydrophobicContact CG1-CD2 4.44Å; I33-L55 HydrophobicContact CG2-CD1 3.93Å; I33-L55 HydrophobicContact CG2-CD2 4.12Å; E38-L55 WeakPolarHBondContact O-CB 3.25Å; E38-L55 WeakPolarHBondContact O-CG 3.41Å; E38-L55 PolarHBondContact O-N 3.33Å; C40-L55 HydrophobicContact CB-CD2 3.67Å; C40-L55 HydrophobicContact CB-CG 4.4Å; L55-D57 VanDerWaalsContact C-N 3.34Å; L55-L58 HydrophobicContact CD2-CD1 4.32Å
56	S	89.9	Confident	82.5	Confident	79 Å²	79	76 Å²	76	55%	0.552	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-20.5	178.5	-55.8	0	0	0	0	114.1	A4 N54	A4-S56 WeakPolarHBondContact CB-O 3.39Å; N54-S56 PolarHBondContact O-N 3.02Å
57	D	89.4	Confident	80.7	Confident	94 Å²	94	79.9 Å²	79.9	50%	0.503	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-8.5	179.7	-70.4	-49.3	0	0	0	112.1	N54 L55	N54-D57 HydrophobicContact CB-CB 4.12Å; N54-D57 VanDerWaalsContact CB-OD2 3.27Å; N54-D57 WeakPolarHBondContact CB-OD2 3.49Å; N54-D57 PolarHBondContact ND2-OD2 3.34Å; N54-D57 PolarHBondContact O-N 3.33Å; L55-D57 VanDerWaalsContact C-N 3.34Å
58	L	89.5	Confident	78.7	Confident	3 Å²	3	84.5 Å²	84.5	2%	0.016	47%	0.474	C	S	.	.	P	Polyproline II helix	trans	-66.2	136.5	174.1	-70.9	-176.1	0	0	0	111.4	W9 A17 I30 C40 V42 Q53 N54 L55	W9-L58 HydrophobicContact CD2-CB 4.48Å; W9-L58 HydrophobicContact CD2-CD1 3.82Å; W9-L58 HydrophobicContact CE3-CD1 4.43Å; W9-L58 HydrophobicContact CG-CD1 3.91Å; W9-L58 HydrophobicContact CH2-CB 4.45Å; W9-L58 HydrophobicContact CZ2-CB 3.6Å; W9-L58 HydrophobicContact CZ2-CD1 4.35Å; A17-L58 HydrophobicContact CB-CD2 4.29Å; I30-L58 HydrophobicContact CD1-CD1 3.6Å; I30-L58 HydrophobicContact CG1-CD1 4.11Å; C40-L58 VanDerWaalsContact SG-CD1 3.58Å; V42-L58 HydrophobicContact CG1-CD2 3.69Å; Q53-L58 HydrophobicContact CB-CD2 4.26Å; N54-L58 PolarHBondContact O-N 2.84Å; L55-L58 HydrophobicContact CD2-CD1 4.32Å
59	L	90	Very high	76.9	Confident	60 Å²	60	89.2 Å²	89.2	31%	0.314	49%	0.486	S	S	.	.	B	Isolated β-bridge	trans	-101.8	150.7	177.4	-59.4	167.6	0	0	0	109.9	W9 S16 I25	W9-L59 WeakPolarHBondContact CH2-O 3.3Å; S16-L59 PolarHBondContact N-O 3.48Å; S16-L59 WeakPolarHBondContact O-CB 3.44Å; S16-L59 PolarHBondContact O-N 3.47Å; I25-L59 HydrophobicContact CD1-CD1 3.65Å; I25-L59 HydrophobicContact CG1-CD1 3.89Å; I25-L59 HydrophobicContact CG2-CD1 3.92Å
60	S	87.3	Confident	75.4	Confident	53 Å²	53	95.6 Å²	95.6	37%	0.371	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-56.3	146.4	171.3	-64.3	0	0	0	0	110.8	S5 S16 I62	S5-S60 PolarHBondContact OG-OG 3.03Å; S5-S60 VanDerWaalsContact OG-OG 3.1Å; S16-S60 PolarHBondContact OG-O 3.36Å; S60-I62 PolarHBondContact O-N 2.96Å
61	P	85	Confident	73	Confident	60 Å²	60	96.8 Å²	96.8	39%	0.39	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-60.1	132.8	178.3	24.4	-31.9	0	0	0	109.6	K14 C63	K14-P61 HydrophobicContact CB-CB 4.05Å; K14-P61 HydrophobicContact CB-CG 4.47Å; K14-P61 WeakPolarHBondContact O-CD 3.41Å; K14-P61 WeakPolarHBondContact O-CG 3.19Å; P61-C63 PolarHBondContact O-N 3.06Å
62	I	76.8	Confident	70.8	Confident	126 Å²	126	102.6 Å²	102.6	65%	0.646	56%	0.559	S	S	*	*			trans	-70.2	104.7	174.8	-60.3	162.1	0	0	0	106.5	S16 I25 S60 E64	S16-I62 PolarHBondContact OG-N 2.72Å; I25-I62 HydrophobicContact CG2-CD1 4.29Å; S60-I62 PolarHBondContact O-N 2.96Å; I62-E64 PolarHBondContact O-N 2.91Å
63	C	62.3	Low	68.6	Low	106 Å²	106	101.3 Å²	101.3	72%	0.716	56%	0.564	S	S	*	*			trans	-73.5	119	172.2	-142.9	0	0	0	0	107.2	P61 V65	P61-C63 PolarHBondContact O-N 3.06Å; C63-V65 PolarHBondContact O-N 3.09Å
64	E	54.2	Low	66.8	Low	192 Å²	192	109.2 Å²	109.2	90%	0.897	60%	0.601	S	S	*	*			trans	-74.9	51.3	177.5	-173.3	148.9	58.6	0	0	111.5	I62	I62-E64 PolarHBondContact O-N 2.91Å
65	V	47.6	Very low	64.3	Low	122 Å²	122	114.3 Å²	114.3	74%	0.739	62%	0.622	S	S	*	*			trans	-95.6	99.2	166.5	174.5	0	0	0	0	106.8	C63 N67	C63-V65 PolarHBondContact O-N 3.09Å; V65-N67 PolarHBondContact O-N 3.48Å
66	A	45.9	Very low	61.9	Low	74 Å²	74	118.2 Å²	118.2	61%	0.612	64%	0.643	S	S	*	*			trans	-43	127.5	170.9	0	0	0	0	0	111.5
67	N	52.5	Low	59.6	Low	140 Å²	140	121.5 Å²	121.5	75%	0.749	65%	0.65	S	S	*	*			trans	34.6	103.6	145.9	-53.4	-76.5	0	0	0	115.4	V65	V65-N67 PolarHBondContact O-N 3.48Å
68	N	47.2	Very low	57.1	Low	149 Å²	149	123.3 Å²	123.3	80%	0.797	66%	0.66	S	S	*	*				178.2	114.4	122.1	-87.7	-53.4	0	0	0	110
69	I	50.4	Low	54.5	Low	146 Å²	146	130.4 Å²	130.4	75%	0.749	69%	0.693	S	S	*	*			trans	73.9	103.5	153	-51.2	169	0	0	0	115.1	Q71	I69-Q71 PolarHBondContact O-N 2.66Å
70	E	58.5	Low	52.3	Low	180 Å²	180	131 Å²	131	84%	0.841	70%	0.702	S	S	*	*			trans	25.6	98.4	137.6	-173	168.1	94.1	0	0	116
71	Q	42.2	Very low	49.9	Very low	183 Å²	183	135.8 Å²	135.8	86%	0.855	72%	0.718	S	S	*	*			trans	-155.1	100.8	151.9	-110.9	152.5	62	0	0	111.6	I69 A73	I69-Q71 PolarHBondContact O-N 2.66Å; Q71-A73 PolarHBondContact O-N 2.75Å
72	N	46.2	Very low	47.8	Very low	159 Å²	159	139.1 Å²	139.1	85%	0.85	74%	0.737	S	S	*	*			trans	-45.5	109.1	140.4	168.5	33.9	0	0	0	110
73	A	49.8	Very low	46	Very low	66 Å²	66	137.6 Å²	137.6	55%	0.545	74%	0.738	S	S	.	*			trans	167	103.6	141.4	0	0	0	0	0	110.7	Q71 E75	Q71-A73 PolarHBondContact O-N 2.75Å; A73-E75 PolarHBondContact O-N 2.96Å
74	Q	54.8	Low	45.3	Very low	193 Å²	193	138.5 Å²	138.5	90%	0.902	74%	0.74	S	S	*	*				29.8	83.3	118	-160.7	172.8	-5.8	0	0	117.6
75	E	40.5	Very low	44.7	Very low	185 Å²	185	135.5 Å²	135.5	86%	0.864	73%	0.73	S	S	*	*			trans	-133.4	89.9	162.6	-64	-169.3	171.6	0	0	111.1	A73	A73-E75 PolarHBondContact O-N 2.96Å
76	N	39.5	Very low	44.9	Very low	113 Å²	113	136.5 Å²	136.5	60%	0.604	73%	0.727	S	S	*	*			trans	-51.5	148.9	153.2	146.3	65	0	0	0	112.3
77	E	41.4	Very low	45.1	Very low	148 Å²	148	139 Å²	139	69%	0.692	74%	0.74	S	S	*	*			trans	85.3	117.5	151.8	-100.7	165.3	166.5	0	0	120.6
78	N	36.5	Very low	44.9	Very low	131 Å²	131	140.9 Å²	140.9	70%	0.701	74%	0.744	S	S	*	*				77.3	127.6	121.7	94.3	126.6	0	0	0	122.2
79	E	35.5	Very low	44.4	Very low	152 Å²	152	141.5 Å²	141.5	71%	0.71	75%	0.748	S	S	*	*			trans	64.6	96.1	131	-68	-80.4	95.5	0	0	118.4
80	S	44.1	Very low	44.1	Very low	72 Å²	72	139.5 Å²	139.5	50%	0.503	75%	0.747	S	S	.	*				68.8	160.7	114.8	80.7	0	0	0	0	121.1
81	Q	37	Very low	43.1	Very low	154 Å²	154	142.5 Å²	142.5	72%	0.72	75%	0.75	S	S	*	*			trans	74.3	101.6	166.8	-29.4	-60.8	-44.2	0	0	115.1
82	V	41.5	Very low	43.1	Very low	131 Å²	131	138.9 Å²	138.9	79%	0.794	75%	0.745	S	S	*	*				78.4	150.3	82.1	86.5	0	0	0	0	115.2
83	S	38.7	Very low	43.2	Very low	93 Å²	93	137.4 Å²	137.4	65%	0.65	74%	0.744	S	S	*	*			trans	96.3	95.4	163.4	-111.2	0	0	0	0	116.1
84	T	47.5	Very low	42.4	Very low	126 Å²	126	137.8 Å²	137.8	77%	0.773	76%	0.755	S	S	*	*				69.2	131.7	90.7	57.2	0	0	0	0	113.5
85	D	41.5	Very low	41.7	Very low	129 Å²	129	136.3 Å²	136.3	69%	0.69	75%	0.753	S	S	*	*			trans	152.4	92.7	143.6	177.5	-9.2	0	0	0	113.3
86	E	50.7	Low	42.1	Very low	143 Å²	143	137.2 Å²	137.2	67%	0.668	75%	0.754	S	S	*	*			trans	-13.7	139.3	169.9	39.8	-96.2	40.2	0	0	122.1
87	S	50.4	Low	42.3	Very low	127 Å²	127	136.5 Å²	136.5	89%	0.888	76%	0.758	S	S	*	*			trans	-150.7	127.1	131.4	-144.6	0	0	0	0	112.9
88	E	49.1	Very low	42.4	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	76%	0.758	S	S	*	*			trans	-73.6	131.2	-176.4	-52.9	-173.4	107.6	0	0	111.4
89	N	36.6	Very low	43	Very low	163 Å²	163	136.9 Å²	136.9	87%	0.872	77%	0.765	S	S	*	*			trans	-140.2	104.1	151.3	-168.9	26.5	0	0	0	110
90	S	44.6	Very low	43.7	Very low	104 Å²	104	136.7 Å²	136.7	73%	0.727	77%	0.767	S	S	*	*			trans	-70.2	138.4	175.8	-65.9	0	0	0	0	110.8
91	R	36.5	Very low	43.9	Very low	242 Å²	242	140.9 Å²	140.9	91%	0.913	78%	0.776	S	S	*	*				162.6	106.1	127.9	-177.3	167.8	-113	153.3	-6.5	111.1
92	S	42.4	Very low	44.5	Very low	108 Å²	108	139.7 Å²	139.7	76%	0.755	78%	0.782	S	S	*	*			trans	-68.9	163.2	160.4	-35.3	0	0	0	0	109.9
93	P	48.5	Very low	44.8	Very low	127 Å²	127	141.9 Å²	141.9	83%	0.825	78%	0.781	S	S	*	*				-149.4	139	66.7	35	-13.3	0	0	0	116.9
94	G	34.3	Very low	45.4	Very low	75 Å²	75	142.4 Å²	142.4	77%	0.773	79%	0.785	S	S	*	*			trans	80.6	110	136	0	0	0	0	0	119.4
95	N	40.1	Very low	45.7	Very low	161 Å²	161	139.4 Å²	139.4	86%	0.861	77%	0.772	S	S	*	*				-152.5	139.9	121.5	54.9	46.1	0	0	0	110.8
96	K	47.3	Very low	46.2	Very low	205 Å²	205	138.1 Å²	138.1	89%	0.891	77%	0.771	S	S	*	*			trans	-64.7	140.2	165.1	-81.1	164.5	159.8	169.7	0	108.5
97	S	44.9	Very low	46.5	Very low	98 Å²	98	141.1 Å²	141.1	69%	0.685	78%	0.777	S	S	*	*				176.3	114.6	127.2	179.4	0	0	0	0	110.4
98	D	42.5	Very low	46.7	Very low	128 Å²	128	141.3 Å²	141.3	68%	0.684	77%	0.768	S	S	*	*			trans	59.7	105.3	133.9	-53.5	-69.6	0	0	0	120.2	I100	D98-I100 WeakPolarHBondContact O-CG1 3.34Å; D98-I100 PolarHBondContact O-N 2.74Å; D98-I100 VanDerWaalsContact O-N 3.07Å
99	N	49.7	Very low	46.8	Very low	158 Å²	158	138 Å²	138	85%	0.845	76%	0.764	S	S	*	*				13.7	83.2	125.4	-144.4	-80.9	0	0	0	116.6
100	I	49.6	Very low	47.9	Very low	149 Å²	149	139 Å²	139	76%	0.764	76%	0.761	S	S	*	*			trans	-125	86.1	156.6	-36	-175.8	0	0	0	107.9	D98	D98-I100 WeakPolarHBondContact O-CG1 3.34Å; D98-I100 PolarHBondContact O-N 2.74Å; D98-I100 VanDerWaalsContact O-N 3.07Å
101	K	49.5	Very low	48.4	Very low	159 Å²	159	138.1 Å²	138.1	69%	0.691	75%	0.747	S	S	*	*			trans	-22.7	122.3	148.4	-174.4	158.3	173	175	0	109.9	K103	K101-K103 PolarHBondContact O-N 2.84Å
102	P	48.5	Very low	49.2	Very low	130 Å²	130	128.6 Å²	128.6	84%	0.844	72%	0.717	S	S	*	*			trans	-65.3	90.5	167.2	25.4	-29.3	0	0	0	106.1	S104	P102-S104 PolarHBondContact O-N 2.91Å
103	K	48.2	Very low	49.7	Very low	177 Å²	177	128.7 Å²	128.7	77%	0.77	72%	0.715	S	S	*	*			trans	-59.8	110	167.2	-72	173.7	76	178.1	0	103.2	K101 A105	K101-K103 PolarHBondContact O-N 2.84Å; K103-A105 PolarHBondContact O-N 3.3Å
104	S	52.1	Low	49.9	Very low	104 Å²	104	127.9 Å²	127.9	73%	0.727	71%	0.71	S	S	*	*			trans	-38.8	106.1	166.5	56.3	0	0	0	0	107.3	P102 P106	P102-S104 PolarHBondContact O-N 2.91Å; S104-P106 VanDerWaalsContact O-CD 3.27Å; S104-P106 WeakPolarHBondContact O-CD 3.23Å; S104-P106 VanDerWaalsContact O-N 3.14Å
105	A	52.5	Low	50.7	Low	62 Å²	62	125.6 Å²	125.6	51%	0.512	68%	0.682	S	S	.	*			trans	-55.6	122.6	164.6	0	0	0	0	0	104.7	K103 W107	K103-A105 PolarHBondContact O-N 3.3Å; A105-W107 VanDerWaalsContact C-N 3.33Å; A105-W107 PolarHBondContact O-N 2.83Å
106	P	53.3	Low	51.3	Low	102 Å²	102	123.5 Å²	123.5	66%	0.662	68%	0.677	S	S	*	*			trans	-66.6	105.3	168.5	-8.8	24.9	0	0	0	104.4	S104 N108	S104-P106 VanDerWaalsContact O-CD 3.27Å; S104-P106 WeakPolarHBondContact O-CD 3.23Å; S104-P106 VanDerWaalsContact O-N 3.14Å; P106-N108 PolarHBondContact O-N 2.87Å
107	W	55.6	Low	51.9	Low	207 Å²	207	122.2 Å²	122.2	78%	0.784	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	26.8	178.6	-72.2	83.5	0	0	0	113	A105	A105-W107 VanDerWaalsContact C-N 3.33Å; A105-W107 PolarHBondContact O-N 2.83Å
108	N	56	Low	52.2	Low	131 Å²	131	123.8 Å²	123.8	70%	0.701	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	6.9	-168	-75.6	-7.8	0	0	0	113.9	P106	P106-N108 PolarHBondContact O-N 2.87Å
109	S	51.1	Low	52.7	Low	108 Å²	108	120.3 Å²	120.3	76%	0.755	68%	0.679	S	S	*	*	S	Bend	trans	-106.2	-1.5	-179	-58.5	0	0	0	0	114.7
110	F	58.3	Low	52.9	Low	183 Å²	183	118.8 Å²	118.8	80%	0.803	68%	0.677	S	S	*	*	S	Bend	trans	-112.6	3.2	-179.7	-63.8	-71.6	0	0	0	113.9	P112	F110-P112 VanDerWaalsContact O-CD 3.24Å; F110-P112 WeakPolarHBondContact O-CD 3.17Å
111	L	55.1	Low	52.9	Low	86 Å²	86	123.1 Å²	123.1	45%	0.45	68%	0.684	S	S	.	*	S	Bend	trans	-93.4	112.8	178.5	-59.6	-179.7	0	0	0	108.5	Y47	Y47-L111 HydrophobicContact CE1-CB 4.36Å; Y47-L111 HydrophobicContact CE1-CD2 4.41Å
112	P	55.1	Low	53	Low	43 Å²	43	123.7 Å²	123.7	28%	0.279	69%	0.694	S	S	.	*	P	Polyproline II helix	trans	-48.6	151	165.1	12.4	-28.9	0	0	0	111.5	Y47 F110	Y47-P112 HydrophobicContact CE1-CB 4.48Å; Y47-P112 HydrophobicContact CE1-CG 3.58Å; Y47-P112 WeakPolarHBondContact OH-CD 3.29Å; Y47-P112 WeakPolarHBondContact OH-CG 3.47Å; F110-P112 VanDerWaalsContact O-CD 3.24Å; F110-P112 WeakPolarHBondContact O-CD 3.17Å
113	P	52.6	Low	52.9	Low	109 Å²	109	120 Å²	120	71%	0.708	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-54.9	140.3	-178.4	23.6	-33.2	0	0	0	110.2
114	P	51.8	Low	53.3	Low	110 Å²	110	117.7 Å²	117.7	71%	0.714	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-58.7	135.8	179	24.7	-33	0	0	0	109.3
115	P	51.4	Low	53.1	Low	28 Å²	28	116.2 Å²	116.2	18%	0.182	68%	0.683	C	S	.	*	P	Polyproline II helix	trans	-64	154.1	178	26.5	-34.2	0	0	0	111.2	W19 N49 M117	W19-P115 HydrophobicContact CH2-CB 4.12Å; W19-P115 HydrophobicContact CH2-CG 4.16Å; W19-P115 HydrophobicContact CZ2-CB 3.78Å; W19-P115 HydrophobicContact CZ2-CG 3.73Å; N49-P115 VanDerWaalsContact ND2-CD 3.34Å; N49-P115 WeakPolarHBondContact ND2-CD 3.31Å; N49-P115 WeakPolarHBondContact ND2-CG 3.24Å; N49-P115 WeakPolarHBondContact OD1-CG 3.02Å; P115-M117 PolarHBondContact O-N 2.69Å
116	P	52.9	Low	53.4	Low	117 Å²	117	121.6 Å²	121.6	76%	0.76	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-62.8	122.6	177.1	25.6	-32	0	0	0	110.2
117	M	59.3	Low	53.7	Low	178 Å²	178	125.2 Å²	125.2	88%	0.877	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-62.5	136.3	174.4	-69.4	-177.8	-164.9	0	0	110.2	P115 G119	P115-M117 PolarHBondContact O-N 2.69Å; M117-G119 PolarHBondContact O-N 3.07Å
118	P	50.3	Low	53.4	Low	130 Å²	130	123.6 Å²	123.6	84%	0.844	71%	0.707	S	S	*	*			trans	-57.9	115.6	167	-19	29.8	0	0	0	109
119	G	54.1	Low	53.3	Low	56 Å²	56	126.2 Å²	126.2	58%	0.577	72%	0.719	S	S	*	*			trans	-59.1	157.3	177.2	0	0	0	0	0	111.6	M117 R121	M117-G119 PolarHBondContact O-N 3.07Å; G119-R121 PolarHBondContact O-N 3.25Å; G119-R121 VanDerWaalsContact O-N 3.09Å
120	P	53.3	Low	53.4	Low	126 Å²	126	129.2 Å²	129.2	82%	0.818	75%	0.751	S	S	*	*			trans	-54.7	120.8	176.4	-20.1	30	0	0	0	109.9	L122	P120-L122 PolarHBondContact O-N 3.06Å
121	R	50.3	Low	53.2	Low	239 Å²	239	126.5 Å²	126.5	90%	0.902	75%	0.748	S	S	*	*			trans	-56.1	106.2	166.9	-102.5	-167.4	-177	-100	4.7	107.4	G119 G123	G119-R121 PolarHBondContact O-N 3.25Å; G119-R121 VanDerWaalsContact O-N 3.09Å; R121-G123 VanDerWaalsContact C-N 3.3Å; R121-G123 PolarHBondContact O-N 3.16Å
122	L	51.9	Low	53.1	Low	171 Å²	171	128.6 Å²	128.6	90%	0.895	76%	0.764	S	S	*	*			trans	-61.1	102.1	154.4	-108	91.6	0	0	0	105.7	P120	P120-L122 PolarHBondContact O-N 3.06Å
123	G	46.3	Very low	53	Low	52 Å²	52	133.4 Å²	133.4	54%	0.536	79%	0.791	S	S	.	*			trans	-57.8	151.8	171.9	0	0	0	0	0	110.4	R121 G125	R121-G123 VanDerWaalsContact C-N 3.3Å; R121-G123 PolarHBondContact O-N 3.16Å; G123-G125 PolarHBondContact O-N 3.22Å
124	P	56.3	Low	53	Low	130 Å²	130	134.8 Å²	134.8	84%	0.844	80%	0.796	S	S	*	*			trans	-65.1	114.5	177.1	27.5	-30.1	0	0	0	108	K126	P124-K126 PolarHBondContact O-N 2.83Å
125	G	48.7	Very low	53.1	Low	72 Å²	72	136.4 Å²	136.4	74%	0.742	80%	0.801	S	S	*	*			trans	-61.6	107.8	170.8	0	0	0	0	0	109	G123	G123-G125 PolarHBondContact O-N 3.22Å
126	K	57.6	Low	53.2	Low	175 Å²	175	143.6 Å²	143.6	76%	0.761	84%	0.842	S	S	*	*			trans	-8.5	127.7	156.5	64.6	-153.5	175.9	-162.2	0	115.4	P124 M128	P124-K126 PolarHBondContact O-N 2.83Å; K126-M128 PolarHBondContact O-N 3.46Å
127	E	59.4	Low	53.2	Low	178 Å²	178	145.5 Å²	145.5	83%	0.832	85%	0.848	S	S	*	*			trans	-37.5	126.8	159.7	55.2	-122.5	82.5	0	0	114.1
128	M	49.5	Very low	52.8	Low	174 Å²	174	143 Å²	143	86%	0.857	85%	0.845	S	S	*	*			trans	-147.1	108.9	151	-73.9	-159.7	86.3	0	0	107.9	K126	K126-M128 PolarHBondContact O-N 3.46Å
129	L	53.2	Low	53	Low	185 Å²	185	144.1 Å²	144.1	97%	0.969	85%	0.846	S	S	*	*			trans	-149.6	137.6	148.3	-112.8	134	0	0	0	109.3
130	A	54.9	Low	52.9	Low	171 Å²	171	152.1 Å²	152.1	100%	1.413	87%	0.87	S	S	*	*			trans	-74.5	0	-160.4	0	0	0	0	0	114.8

Retrieved 130 of 130 residues in 214.8 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).