A0A2R9A5A8_PANPA Loading...

Actin binding transcription modulator

AlphaFold DB , UniProt , Accession A0A2R9A5A8, Species PANPA (Pan paniscus, Pygmy chimpanzee), Gene n/a, Length 115 aa.

						>A0A2R9A5A8_PANPA|A0A2R9A5A8
MATEPEAAEPVVPSLVDRYFTRWYKPDVKGKFCEDHCILQHSNRICVITLAESHPVLQSGKTIKSISYQISTNCSRLQNKVSGKFKRRIIYLEKVEDVIKRKMMPLSLGLHLPHS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.6	Very low	56.2	Low	249 Å²	249	141.8 Å²	141.8	100%	1.227	83%	0.834	S	S	*	*				0	142.3	0	-85.6	178.6	168.6	0	0	107.6
2	A	42.3	Very low	57.9	Low	88 Å²	88	140.8 Å²	140.8	73%	0.727	83%	0.83	S	S	*	*			trans	77.6	81.3	-177.4	0	0	0	0	0	116.1	E4	A2-E4 PolarHBondContact O-N 3.49Å
3	T	46.4	Very low	59.2	Low	145 Å²	145	135.7 Å²	135.7	89%	0.89	80%	0.803	S	S	*	*			trans	-71.9	109.8	146.2	27.1	0	0	0	0	107.3
4	E	53.3	Low	60.6	Low	164 Å²	164	129.6 Å²	129.6	77%	0.766	77%	0.771	S	S	*	*			trans	-52	136.4	172.7	-62.7	-86.8	107.6	0	0	109.9	A2 E6	A2-E4 PolarHBondContact O-N 3.49Å; E4-E6 PolarHBondContact O-N 3.1Å; E4-E6 VanDerWaalsContact O-N 3.1Å
5	P	54.3	Low	61.7	Low	119 Å²	119	128.4 Å²	128.4	77%	0.773	76%	0.758	S	S	*	*			trans	-70.9	109.6	174.4	28.7	-30	0	0	0	108.4	A7	P5-A7 PolarHBondContact O-N 3.37Å
6	E	54.3	Low	62.8	Low	190 Å²	190	123.7 Å²	123.7	89%	0.888	73%	0.731	S	S	*	*			trans	-50.6	110.5	169.1	-164.8	-179.9	-172.9	0	0	108.2	E4 A8	E4-E6 PolarHBondContact O-N 3.1Å; E4-E6 VanDerWaalsContact O-N 3.1Å; E6-A8 PolarHBondContact O-N 2.8Å
7	A	55.8	Low	63.8	Low	92 Å²	92	120.9 Å²	120.9	76%	0.76	71%	0.712	S	S	*	*			trans	-60.6	108.2	-177.2	0	0	0	0	0	108.4	P5 E9	P5-A7 PolarHBondContact O-N 3.37Å; A7-E9 PolarHBondContact O-N 3Å
8	A	63.1	Low	64.9	Low	95 Å²	95	122.4 Å²	122.4	79%	0.785	70%	0.703	S	S	*	*			trans	-55.6	113.9	179.6	0	0	0	0	0	109.6	E6	E6-A8 PolarHBondContact O-N 2.8Å
9	E	64.8	Low	65.9	Low	166 Å²	166	122.8 Å²	122.8	78%	0.776	69%	0.693	S	S	*	*			trans	-42.6	136.7	171.1	-65.8	-86.7	156.9	0	0	109.8	A7 V11	A7-E9 PolarHBondContact O-N 3Å; E9-V11 PolarHBondContact O-N 3.02Å
10	P	61.1	Low	66.9	Low	118 Å²	118	119.5 Å²	119.5	77%	0.766	67%	0.671	S	S	*	*			trans	-63.1	101.7	-179.3	25.7	-32.8	0	0	0	109.5	V12	P10-V12 PolarHBondContact O-N 2.97Å
11	V	76.1	Confident	67.9	Low	134 Å²	134	117.6 Å²	117.6	81%	0.812	66%	0.662	S	S	*	*			trans	-63.4	105.2	179.7	-176.6	0	0	0	0	107.9	E9 P13	E9-V11 PolarHBondContact O-N 3.02Å; V11-P13 WeakPolarHBondContact O-CD 3.44Å; V11-P13 VanDerWaalsContact O-N 3.16Å
12	V	76.5	Confident	70	Confident	130 Å²	130	110.6 Å²	110.6	79%	0.788	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-58.9	118.5	174	-97.7	0	0	0	0	108.7	P10 S14	P10-V12 PolarHBondContact O-N 2.97Å; V12-S14 PolarHBondContact O-N 3.24Å
13	P	74.8	Confident	72.2	Confident	74 Å²	74	113.3 Å²	113.3	48%	0.481	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-67.8	132.8	-173.7	24.7	-32.3	0	0	0	110.1	V11 D17 R18	V11-P13 WeakPolarHBondContact O-CD 3.44Å; V11-P13 VanDerWaalsContact O-N 3.16Å; P13-D17 HydrophobicContact CB-CB 4.17Å; P13-R18 HydrophobicContact CB-CG 4Å; P13-R18 HydrophobicContact CG-CG 3.97Å
14	S	78.8	Confident	74.1	Confident	51 Å²	51	112.7 Å²	112.7	36%	0.357	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-64.5	164.8	179.2	77.1	0	0	0	0	110.9	V12 V16 D17 R18	V12-S14 PolarHBondContact O-N 3.24Å; S14-V16 PolarHBondContact O-N 3.08Å; S14-V16 VanDerWaalsContact O-N 3.17Å; S14-V16 PolarHBondContact OG-N 2.81Å; S14-D17 VanDerWaalsContact CB-OD2 3.31Å; S14-D17 WeakPolarHBondContact CB-OD2 3.38Å; S14-D17 PolarHBondContact N-OD2 3.07Å; S14-D17 PolarHBondContact O-N 2.93Å; S14-D17 VanDerWaalsContact O-N 3.1Å; S14-D17 VanDerWaalsContact OG-CG 3.24Å; S14-D17 PolarHBondContact OG-N 3.39Å; S14-D17 PolarHBondContact OG-OD2 3.44Å; S14-R18 WeakPolarHBondContact O-CG 3.35Å; S14-R18 PolarHBondContact O-N 2.91Å
15	L	76.8	Confident	75.6	Confident	111 Å²	111	110.8 Å²	110.8	58%	0.581	59%	0.585	S	S	*	*	H	α-helix	trans	-53.1	-36	172.1	-76.3	168.6	0	0	0	111.9	Y19	L15-Y19 HydrophobicContact CD2-CD2 4.22Å; L15-Y19 HydrophobicContact CD2-CE2 3.78Å; L15-Y19 VanDerWaalsContact O-CD2 3.25Å; L15-Y19 WeakPolarHBondContact O-CD2 3.18Å; L15-Y19 PolarHBondContact O-N 3.3Å
16	V	79.8	Confident	77	Confident	53 Å²	53	109 Å²	109	32%	0.321	57%	0.574	S	S	.	*	H	α-helix	trans	-65.7	-47.2	178.8	-177.6	0	0	0	0	110.3	S14 R18 Y19 F20 L39	S14-V16 PolarHBondContact O-N 3.08Å; S14-V16 VanDerWaalsContact O-N 3.17Å; S14-V16 PolarHBondContact OG-N 2.81Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.02Å; V16-Y19 PolarHBondContact O-N 3.44Å; V16-F20 HydrophobicContact CG1-CB 4.44Å; V16-F20 HydrophobicContact CG1-CD2 4.39Å; V16-F20 WeakPolarHBondContact O-CA 3.24Å; V16-F20 WeakPolarHBondContact O-CB 3.4Å; V16-F20 PolarHBondContact O-N 3.36Å; V16-L39 HydrophobicContact CG1-CD1 3.75Å; V16-L39 HydrophobicContact CG1-CD2 3.9Å; V16-L39 HydrophobicContact CG1-CG 4.43Å
17	D	80.4	Confident	78.2	Confident	76 Å²	76	103.5 Å²	103.5	41%	0.406	55%	0.55	S	S	.	*	H	α-helix	trans	-69.5	-26.7	-176.8	-50.9	-49	0	0	0	112.4	P13 S14 R22	P13-D17 HydrophobicContact CB-CB 4.17Å; S14-D17 VanDerWaalsContact CB-OD2 3.31Å; S14-D17 WeakPolarHBondContact CB-OD2 3.38Å; S14-D17 PolarHBondContact N-OD2 3.07Å; S14-D17 PolarHBondContact O-N 2.93Å; S14-D17 VanDerWaalsContact O-N 3.1Å; S14-D17 VanDerWaalsContact OG-CG 3.24Å; S14-D17 PolarHBondContact OG-N 3.39Å; S14-D17 PolarHBondContact OG-OD2 3.44Å; D17-R22 IonicContact OD1-CZ 3.07Å; D17-R22 VanDerWaalsContact OD1-CZ 3.32Å; D17-R22 IonicContact OD1-NH1 3.12Å; D17-R22 PolarHBondContact OD1-NH1 2.86Å; D17-R22 VanDerWaalsContact OD1-NH1 3.12Å; D17-R22 IonicContact OD1-NH2 3.26Å; D17-R22 PolarHBondContact OD1-NH2 3.4Å
18	R	83	Confident	79.1	Confident	148 Å²	148	100.1 Å²	100.1	56%	0.558	52%	0.52	S	S	*	.	H	α-helix	trans	-75.6	-39.3	176.6	-71.4	-170.9	-71.8	171.9	-5.1	113.6	P13 S14 V16	P13-R18 HydrophobicContact CB-CG 4Å; P13-R18 HydrophobicContact CG-CG 3.97Å; S14-R18 WeakPolarHBondContact O-CG 3.35Å; S14-R18 PolarHBondContact O-N 2.91Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.02Å
19	Y	84.2	Confident	79.4	Confident	131 Å²	131	104.4 Å²	104.4	51%	0.514	52%	0.521	S	S	.	.	H	α-helix	trans	-104.4	-16.8	-170.7	-69.8	-69	0	0	0	113.9	L15 V16 H41	L15-Y19 HydrophobicContact CD2-CD2 4.22Å; L15-Y19 HydrophobicContact CD2-CE2 3.78Å; L15-Y19 VanDerWaalsContact O-CD2 3.25Å; L15-Y19 WeakPolarHBondContact O-CD2 3.18Å; L15-Y19 PolarHBondContact O-N 3.3Å; V16-Y19 PolarHBondContact O-N 3.44Å; Y19-H41 PolarHBondContact O-CD2 2.84Å
20	F	85.9	Confident	79.7	Confident	55 Å²	55	100 Å²	100	24%	0.241	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.4	-176.1	-60	-95.9	0	0	0	111.7	V16 L39 Q40 H41 V47	V16-F20 HydrophobicContact CG1-CB 4.44Å; V16-F20 HydrophobicContact CG1-CD2 4.39Å; V16-F20 WeakPolarHBondContact O-CA 3.24Å; V16-F20 WeakPolarHBondContact O-CB 3.4Å; V16-F20 PolarHBondContact O-N 3.36Å; F20-L39 HydrophobicContact CB-CB 3.95Å; F20-L39 HydrophobicContact CB-CD2 4.45Å; F20-L39 HydrophobicContact CD1-CB 3.92Å; F20-L39 HydrophobicContact CG-CB 4.12Å; F20-Q40 CarbonylContact C-O 3.53Å; F20-Q40 VanDerWaalsContact CA-O 3.31Å; F20-Q40 WeakPolarHBondContact CA-O 3.28Å; F20-H41 HydrophobicContact CD1-CB 3.75Å; F20-H41 HydrophobicContact CE1-CB 3.63Å; F20-H41 HydrophobicContact CZ-CB 4.43Å; F20-V47 HydrophobicContact CE1-CG2 4.28Å
21	T	88.6	Confident	80.3	Confident	80 Å²	80	99.6 Å²	99.6	49%	0.491	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	122.4	165	-51	0	0	0	0	108.8	W23 Q40	T21-W23 HydrophobicContact CG2-CZ2 4.11Å; T21-Q40 PolarHBondContact N-O 2.91Å; T21-Q40 PolarHBondContact O-N 3.21Å
22	R	89.2	Confident	79.9	Confident	103 Å²	103	101.6 Å²	101.6	39%	0.389	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129.3	-179.4	-170.4	171.1	-63	127.6	6.3	110.8	D17 Y24 L39	D17-R22 IonicContact OD1-CZ 3.07Å; D17-R22 VanDerWaalsContact OD1-CZ 3.32Å; D17-R22 IonicContact OD1-NH1 3.12Å; D17-R22 PolarHBondContact OD1-NH1 2.86Å; D17-R22 VanDerWaalsContact OD1-NH1 3.12Å; D17-R22 IonicContact OD1-NH2 3.26Å; D17-R22 PolarHBondContact OD1-NH2 3.4Å; R22-Y24 WeakPolarHBondContact CD-OH 3.32Å; R22-Y24 HydrophobicContact CG-CD2 4.49Å; R22-Y24 HydrophobicContact CG-CE2 3.78Å; R22-L39 HydrophobicContact CB-CD2 3.99Å; R22-L39 HydrophobicContact CG-CD2 3.84Å
23	W	88.2	Confident	79.6	Confident	144 Å²	144	97.3 Å²	97.3	55%	0.545	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	152.8	174.8	-58.7	90.4	0	0	0	109.3	T21 C37 I38	T21-W23 HydrophobicContact CG2-CZ2 4.11Å; W23-C37 WeakPolarHBondContact O-CA 3.42Å; W23-I38 HydrophobicContact CB-CB 4.19Å; W23-I38 PolarHBondContact N-O 2.58Å; W23-I38 PolarHBondContact O-N 3.1Å
24	Y	87.9	Confident	79.7	Confident	133 Å²	133	95.9 Å²	95.9	52%	0.522	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.5	175.8	-66.3	-86.7	0	0	0	110.2	R22 H36 C37 A51	R22-Y24 WeakPolarHBondContact CD-OH 3.32Å; R22-Y24 HydrophobicContact CG-CD2 4.49Å; R22-Y24 HydrophobicContact CG-CE2 3.78Å; Y24-H36 WeakPolarHBondContact CA-O 3.22Å; Y24-C37 HydrophobicContact CD1-CB 4.09Å; Y24-C37 HydrophobicContact CE1-CB 3.91Å; Y24-A51 HydrophobicContact CD1-CB 4.07Å; Y24-A51 HydrophobicContact CE1-CB 4.12Å
25	K	85.3	Confident	79.9	Confident	124 Å²	124	94.8 Å²	94.8	54%	0.539	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	104.1	170.7	-174.6	165.2	-177.4	161.9	0	108.3	V28 H36 I38	K25-V28 HydrophobicContact CB-CG2 4.32Å; K25-V28 HydrophobicContact CD-CG2 4.34Å; K25-V28 HydrophobicContact CG-CG2 3.95Å; K25-V28 WeakPolarHBondContact O-CG2 3.34Å; K25-H36 PolarHBondContact N-O 3.28Å; K25-H36 PolarHBondContact O-N 2.75Å; K25-I38 HydrophobicContact CB-CD1 4.31Å
26	P	82.8	Confident	80.3	Confident	81 Å²	81	91.9 Å²	91.9	53%	0.526	44%	0.44	S	S	.	.			trans	-74.6	161.4	177.2	30.3	-33.4	0	0	0	111.8	V28 D35	P26-V28 PolarHBondContact O-N 3.14Å; P26-D35 WeakPolarHBondContact CA-OD1 3.06Å
27	D	78.7	Confident	80.6	Confident	74 Å²	74	89.7 Å²	89.7	40%	0.396	43%	0.428	S	S	.	.	S	Bend	trans	51.6	46.7	169.2	-57.4	-49.8	0	0	0	114.7	K29 G30 K31 F32 C33 D35	D27-K29 PolarHBondContact O-N 3.35Å; D27-G30 PolarHBondContact O-N 3.19Å; D27-K31 WeakPolarHBondContact CA-O 3.49Å; D27-F32 WeakPolarHBondContact OD1-CA 3.26Å; D27-C33 PolarHBondContact OD1-N 2.98Å; D27-D35 PolarHBondContact N-OD1 2.58Å
28	V	74.6	Confident	80.9	Confident	21 Å²	21	88.3 Å²	88.3	13%	0.127	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-64.3	131.6	-179.3	-179.8	0	0	0	0	109.5	K25 P26 G30 E34 H36	K25-V28 HydrophobicContact CB-CG2 4.32Å; K25-V28 HydrophobicContact CD-CG2 4.34Å; K25-V28 HydrophobicContact CG-CG2 3.95Å; K25-V28 WeakPolarHBondContact O-CG2 3.34Å; P26-V28 PolarHBondContact O-N 3.14Å; V28-G30 PolarHBondContact O-N 3.26Å; V28-E34 VanDerWaalsContact CB-O 3.31Å; V28-E34 WeakPolarHBondContact CB-O 3.31Å; V28-E34 WeakPolarHBondContact CG2-O 3.08Å; V28-E34 PolarHBondContact N-O 2.93Å; V28-E34 VanDerWaalsContact N-O 3.1Å; V28-H36 HydrophobicContact CG2-CB 4.07Å
29	K	71	Confident	81.1	Confident	185 Å²	185	82.2 Å²	82.2	80%	0.804	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	61.3	24.4	-175	-59.1	170.4	179.5	179.5	0	114.3	D27 K31	D27-K29 PolarHBondContact O-N 3.35Å; K29-K31 VanDerWaalsContact C-N 3.25Å; K29-K31 PolarHBondContact O-N 3.46Å
30	G	70.1	Confident	81.3	Confident	74 Å²	74	79.2 Å²	79.2	76%	0.763	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	71.9	19.8	174.3	0	0	0	0	0	113.8	D27 V28	D27-G30 PolarHBondContact O-N 3.19Å; V28-G30 PolarHBondContact O-N 3.26Å
31	K	72.8	Confident	81.3	Confident	110 Å²	110	78.4 Å²	78.4	48%	0.478	39%	0.385	S	S	.	.			trans	-104.9	129.9	176.2	-69.9	177.6	177.3	-178.3	0	110.1	D27 K29 C33 E34	D27-K31 WeakPolarHBondContact CA-O 3.49Å; K29-K31 VanDerWaalsContact C-N 3.25Å; K29-K31 PolarHBondContact O-N 3.46Å; K31-C33 PolarHBondContact O-N 3.14Å; K31-E34 HydrophobicContact CB-CB 4.08Å; K31-E34 HydrophobicContact CB-CG 3.79Å; K31-E34 HydrophobicContact CD-CG 4.1Å; K31-E34 WeakPolarHBondContact CD-OE1 2.93Å; K31-E34 WeakPolarHBondContact CD-OE2 3.49Å; K31-E34 IonicContact NZ-OE1 2.81Å; K31-E34 PolarHBondContact NZ-OE1 3.12Å; K31-E34 IonicContact NZ-OE2 3.61Å; K31-E34 PolarHBondContact O-N 3.28Å
32	F	68.6	Low	80.8	Confident	175 Å²	175	79.6 Å²	79.6	77%	0.768	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.1	-176.8	-166.3	-107.2	0	0	0	111.6	D27 E34	D27-F32 WeakPolarHBondContact OD1-CA 3.26Å; F32-E34 PolarHBondContact O-N 3.04Å
33	C	70.2	Confident	80.5	Confident	40 Å²	40	78.9 Å²	78.9	27%	0.27	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	10	-177.9	-58.4	0	0	0	0	115.5	D27 K31 D35 P55	D27-C33 PolarHBondContact OD1-N 2.98Å; K31-C33 PolarHBondContact O-N 3.14Å; C33-D35 PolarHBondContact O-N 3.18Å; C33-P55 WeakPolarHBondContact O-CD 3.38Å
34	E	76.9	Confident	80	Confident	45 Å²	45	82.1 Å²	82.1	21%	0.21	41%	0.413	C	S	.	.			trans	-75.7	62.2	166.9	-75.5	-159.6	-175.7	0	0	110.3	V28 K31 F32	V28-E34 VanDerWaalsContact CB-O 3.31Å; V28-E34 WeakPolarHBondContact CB-O 3.31Å; V28-E34 WeakPolarHBondContact CG2-O 3.08Å; V28-E34 PolarHBondContact N-O 2.93Å; V28-E34 VanDerWaalsContact N-O 3.1Å; K31-E34 HydrophobicContact CB-CB 4.08Å; K31-E34 HydrophobicContact CB-CG 3.79Å; K31-E34 HydrophobicContact CD-CG 4.1Å; K31-E34 WeakPolarHBondContact CD-OE1 2.93Å; K31-E34 WeakPolarHBondContact CD-OE2 3.49Å; K31-E34 IonicContact NZ-OE1 2.81Å; K31-E34 PolarHBondContact NZ-OE1 3.12Å; K31-E34 IonicContact NZ-OE2 3.61Å; K31-E34 PolarHBondContact O-N 3.28Å; F32-E34 PolarHBondContact O-N 3.04Å
35	D	82.1	Confident	79.7	Confident	27 Å²	27	79.4 Å²	79.4	14%	0.144	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-82.3	130.9	-175.3	-60.3	-18.4	0	0	0	110.7	P26 D27 C33 A51 S53	P26-D35 WeakPolarHBondContact CA-OD1 3.06Å; D27-D35 PolarHBondContact N-OD1 2.58Å; C33-D35 PolarHBondContact O-N 3.18Å; D35-A51 HydrophobicContact CB-CB 3.62Å; D35-A51 WeakPolarHBondContact O-CB 3.38Å; D35-A51 PolarHBondContact O-N 3.1Å; D35-S53 PolarHBondContact OD2-OG 3.03Å
36	H	85.9	Confident	79.6	Confident	50 Å²	50	77 Å²	77	23%	0.231	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	138.2	173.1	-70.5	175.5	0	0	0	110.9	Y24 K25 V28 I48	Y24-H36 WeakPolarHBondContact CA-O 3.22Å; K25-H36 PolarHBondContact N-O 3.28Å; K25-H36 PolarHBondContact O-N 2.75Å; V28-H36 HydrophobicContact CG2-CB 4.07Å; H36-I48 HydrophobicContact CB-CG2 4.26Å
37	C	87.1	Confident	79.7	Confident	8 Å²	8	75.8 Å²	75.8	5%	0.054	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	122	168.8	171.5	0	0	0	0	109.3	W23 Y24 T49 A51	W23-C37 WeakPolarHBondContact O-CA 3.42Å; Y24-C37 HydrophobicContact CD1-CB 4.09Å; Y24-C37 HydrophobicContact CE1-CB 3.91Å; C37-T49 WeakPolarHBondContact CB-OG1 3.4Å; C37-T49 PolarHBondContact N-O 3.34Å; C37-T49 PolarHBondContact O-N 3.37Å; C37-T49 PolarHBondContact O-OG1 2.93Å; C37-T49 VanDerWaalsContact O-OG1 3.1Å; C37-A51 HydrophobicContact CB-CB 4.4Å
38	I	87.1	Confident	80.1	Confident	47 Å²	47	77.6 Å²	77.6	24%	0.241	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.5	179.1	-57	165.8	0	0	0	107.8	W23 K25 C46 I48	W23-I38 HydrophobicContact CB-CB 4.19Å; W23-I38 PolarHBondContact N-O 2.58Å; W23-I38 PolarHBondContact O-N 3.1Å; K25-I38 HydrophobicContact CB-CD1 4.31Å; I38-C46 HydrophobicContact CG2-CB 4.43Å; I38-I48 HydrophobicContact CG1-CG1 4.48Å
39	L	86.8	Confident	80.6	Confident	20 Å²	20	79.2 Å²	79.2	11%	0.105	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	107.6	176.2	-60.2	174.6	0	0	0	108.3	V16 F20 R22 C46 V47	V16-L39 HydrophobicContact CG1-CD1 3.75Å; V16-L39 HydrophobicContact CG1-CD2 3.9Å; V16-L39 HydrophobicContact CG1-CG 4.43Å; F20-L39 HydrophobicContact CB-CB 3.95Å; F20-L39 HydrophobicContact CB-CD2 4.45Å; F20-L39 HydrophobicContact CD1-CB 3.92Å; F20-L39 HydrophobicContact CG-CB 4.12Å; R22-L39 HydrophobicContact CB-CD2 3.99Å; R22-L39 HydrophobicContact CG-CD2 3.84Å; L39-C46 CarbonylContact O-C 3.58Å; L39-C46 WeakPolarHBondContact O-CA 3.33Å; L39-V47 HydrophobicContact CB-CB 4.27Å; L39-V47 PolarHBondContact N-O 3.17Å; L39-V47 PolarHBondContact O-N 2.96Å
40	Q	87.3	Confident	81.3	Confident	67 Å²	67	73.4 Å²	73.4	31%	0.313	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122.8	-179.1	-179.1	-173.6	-8.5	0	0	110.4	F20 T21	F20-Q40 CarbonylContact C-O 3.53Å; F20-Q40 VanDerWaalsContact CA-O 3.31Å; F20-Q40 WeakPolarHBondContact CA-O 3.28Å; T21-Q40 PolarHBondContact N-O 2.91Å; T21-Q40 PolarHBondContact O-N 3.21Å
41	H	85.8	Confident	82	Confident	38 Å²	38	69.9 Å²	69.9	18%	0.176	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	156.5	171.5	-167.4	-92	0	0	0	111.1	Y19 F20 N43 R44 I45	Y19-H41 PolarHBondContact O-CD2 2.84Å; F20-H41 HydrophobicContact CD1-CB 3.75Å; F20-H41 HydrophobicContact CE1-CB 3.63Å; F20-H41 HydrophobicContact CZ-CB 4.43Å; H41-N43 WeakPolarHBondContact CB-OD1 3.44Å; H41-N43 PolarHBondContact ND1-N 3.06Å; H41-N43 VanDerWaalsContact ND1-N 3.19Å; H41-N43 PolarHBondContact ND1-ND2 3.18Å; H41-N43 PolarHBondContact ND1-OD1 3.45Å; H41-N43 PolarHBondContact O-N 3.28Å; H41-R44 PolarHBondContact O-N 3.07Å; H41-I45 PolarHBondContact N-O 2.71Å
42	S	79.1	Confident	82.1	Confident	106 Å²	106	72.1 Å²	72.1	74%	0.741	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.2	178.9	58.8	0	0	0	0	113.7	R44	S42-R44 PolarHBondContact O-N 3.26Å; S42-R44 VanDerWaalsContact O-N 3.16Å
43	N	81.9	Confident	82.4	Confident	88 Å²	88	65.8 Å²	65.8	47%	0.471	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	14.1	174.8	71.9	-0.4	0	0	0	114.3	H41 I45	H41-N43 WeakPolarHBondContact CB-OD1 3.44Å; H41-N43 PolarHBondContact ND1-N 3.06Å; H41-N43 VanDerWaalsContact ND1-N 3.19Å; H41-N43 PolarHBondContact ND1-ND2 3.18Å; H41-N43 PolarHBondContact ND1-OD1 3.45Å; H41-N43 PolarHBondContact O-N 3.28Å; N43-I45 WeakPolarHBondContact ND2-CD1 3.25Å; N43-I45 PolarHBondContact O-N 3.26Å; N43-I45 VanDerWaalsContact OD1-CB 3.26Å; N43-I45 WeakPolarHBondContact OD1-CB 3.49Å; N43-I45 VanDerWaalsContact OD1-CG1 3.28Å; N43-I45 WeakPolarHBondContact OD1-CG1 3.36Å; N43-I45 PolarHBondContact OD1-N 2.82Å
44	R	77.4	Confident	82.8	Confident	212 Å²	212	64.3 Å²	64.3	80%	0.8	33%	0.334	S	S	*	.	S	Bend	trans	67.6	6.3	-179.3	-51.6	-76.4	-174.4	139.3	-0.5	115.1	H41 S42	H41-R44 PolarHBondContact O-N 3.07Å; S42-R44 PolarHBondContact O-N 3.26Å; S42-R44 VanDerWaalsContact O-N 3.16Å
45	I	83	Confident	82.8	Confident	75 Å²	75	64.6 Å²	64.6	39%	0.385	34%	0.34	S	S	.	.			trans	-73.3	135.3	168.8	-61.8	177.7	0	0	0	108.4	H41 N43	H41-I45 PolarHBondContact N-O 2.71Å; N43-I45 WeakPolarHBondContact ND2-CD1 3.25Å; N43-I45 PolarHBondContact O-N 3.26Å; N43-I45 VanDerWaalsContact OD1-CB 3.26Å; N43-I45 WeakPolarHBondContact OD1-CB 3.49Å; N43-I45 VanDerWaalsContact OD1-CG1 3.28Å; N43-I45 WeakPolarHBondContact OD1-CG1 3.36Å; N43-I45 PolarHBondContact OD1-N 2.82Å
46	C	83	Confident	82.6	Confident	73 Å²	73	65.8 Å²	65.8	49%	0.493	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.6	174.7	-60.9	0	0	0	0	110	I38 L39	I38-C46 HydrophobicContact CG2-CB 4.43Å; L39-C46 CarbonylContact O-C 3.58Å; L39-C46 WeakPolarHBondContact O-CA 3.33Å
47	V	84.9	Confident	82.2	Confident	56 Å²	56	67 Å²	67	34%	0.339	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.9	170.2	-179.7	0	0	0	0	107.6	F20 L39 T49	F20-V47 HydrophobicContact CE1-CG2 4.28Å; L39-V47 HydrophobicContact CB-CB 4.27Å; L39-V47 PolarHBondContact N-O 3.17Å; L39-V47 PolarHBondContact O-N 2.96Å; V47-T49 HydrophobicContact CG1-CG2 4.08Å
48	I	85.9	Confident	81.7	Confident	113 Å²	113	73.2 Å²	73.2	58%	0.579	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.5	129.3	178.2	-54.7	176.7	0	0	0	107.9	H36 I38	H36-I48 HydrophobicContact CB-CG2 4.26Å; I38-I48 HydrophobicContact CG1-CG1 4.48Å
49	T	86.1	Confident	81.1	Confident	54 Å²	54	73.7 Å²	73.7	33%	0.331	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	163.6	-178.4	55.2	0	0	0	0	109.6	C37 V47	C37-T49 WeakPolarHBondContact CB-OG1 3.4Å; C37-T49 PolarHBondContact N-O 3.34Å; C37-T49 PolarHBondContact O-N 3.37Å; C37-T49 PolarHBondContact O-OG1 2.93Å; C37-T49 VanDerWaalsContact O-OG1 3.1Å; V47-T49 HydrophobicContact CG1-CG2 4.08Å
50	L	86.1	Confident	80.4	Confident	63 Å²	63	75.7 Å²	75.7	33%	0.33	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.4	169.2	-59.8	179.8	0	0	0	108.8	H54 V56 L57	L50-H54 HydrophobicContact CB-CB 4.07Å; L50-V56 HydrophobicContact CD1-CB 4.42Å; L50-V56 HydrophobicContact CD1-CG1 4.46Å; L50-L57 HydrophobicContact CB-CD1 4Å; L50-L57 HydrophobicContact CB-CG 4.48Å
51	A	83.3	Confident	79.9	Confident	1 Å²	1	79 Å²	79	1%	0.008	43%	0.43	C	S	.	.			trans	-67.5	155.2	171.1	0	0	0	0	0	110.1	Y24 D35 C37 S53 H54 L57	Y24-A51 HydrophobicContact CD1-CB 4.07Å; Y24-A51 HydrophobicContact CE1-CB 4.12Å; D35-A51 HydrophobicContact CB-CB 3.62Å; D35-A51 WeakPolarHBondContact O-CB 3.38Å; D35-A51 PolarHBondContact O-N 3.1Å; C37-A51 HydrophobicContact CB-CB 4.4Å; A51-S53 PolarHBondContact O-N 3.36Å; A51-H54 WeakPolarHBondContact O-CB 3.4Å; A51-H54 PolarHBondContact O-N 3.41Å; A51-L57 WeakPolarHBondContact O-CD1 3.43Å
52	E	75.4	Confident	79.5	Confident	156 Å²	156	83 Å²	83	73%	0.729	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-25.8	176.8	-65.8	176.7	171	0	0	112.2	H54	E52-H54 PolarHBondContact O-N 3.39Å
53	S	74.5	Confident	79.5	Confident	42 Å²	42	80.8 Å²	80.8	29%	0.294	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.8	172.1	53.8	0	0	0	0	114.2	D35 A51 Q58	D35-S53 PolarHBondContact OD2-OG 3.03Å; A51-S53 PolarHBondContact O-N 3.36Å; S53-Q58 PolarHBondContact O-NE2 3.21Å
54	H	79.2	Confident	79.5	Confident	9 Å²	9	86.5 Å²	86.5	4%	0.042	46%	0.458	C	S	.	.			trans	-65.7	133	-172.1	-167.4	-83.1	0	0	0	110.9	L50 A51 E52 V56 L57 Q58	L50-H54 HydrophobicContact CB-CB 4.07Å; A51-H54 WeakPolarHBondContact O-CB 3.4Å; A51-H54 PolarHBondContact O-N 3.41Å; E52-H54 PolarHBondContact O-N 3.39Å; H54-V56 VanDerWaalsContact CE1-CG2 3.42Å; H54-V56 WeakPolarHBondContact CE1-CG2 3.19Å; H54-V56 WeakPolarHBondContact ND1-CB 3.5Å; H54-V56 PolarHBondContact ND1-N 2.8Å; H54-V56 PolarHBondContact O-N 2.9Å; H54-L57 PolarHBondContact O-N 2.86Å; H54-Q58 PolarHBondContact O-N 3.44Å
55	P	76.6	Confident	79.6	Confident	51 Å²	51	80.9 Å²	80.9	33%	0.331	45%	0.451	S	S	.	.	H	α-helix	trans	-61.1	-28.4	-172.1	22	-34	0	0	0	112.7	C33 L57 S59	C33-P55 WeakPolarHBondContact O-CD 3.38Å; P55-L57 VanDerWaalsContact C-N 3.3Å; P55-L57 PolarHBondContact O-N 2.94Å; P55-S59 WeakPolarHBondContact O-CB 3.4Å; P55-S59 PolarHBondContact O-N 3.1Å; P55-S59 PolarHBondContact O-OG 3.19Å
56	V	79	Confident	79.4	Confident	53 Å²	53	79.5 Å²	79.5	32%	0.321	44%	0.444	S	S	.	.	H	α-helix	trans	-61.6	-36.6	173.8	175.4	0	0	0	0	112.2	L50 H54 I63	L50-V56 HydrophobicContact CD1-CB 4.42Å; L50-V56 HydrophobicContact CD1-CG1 4.46Å; H54-V56 VanDerWaalsContact CE1-CG2 3.42Å; H54-V56 WeakPolarHBondContact CE1-CG2 3.19Å; H54-V56 WeakPolarHBondContact ND1-CB 3.5Å; H54-V56 PolarHBondContact ND1-N 2.8Å; H54-V56 PolarHBondContact O-N 2.9Å; V56-I63 HydrophobicContact CG1-CD1 4.4Å; V56-I63 HydrophobicContact CG1-CG1 4.17Å
57	L	75.7	Confident	79.2	Confident	75 Å²	75	80.5 Å²	80.5	39%	0.393	45%	0.452	S	S	.	.	H	α-helix	trans	-83.4	-43.5	177.7	-65.1	-179.3	0	0	0	111.3	L50 A51 H54 P55 S59 G60	L50-L57 HydrophobicContact CB-CD1 4Å; L50-L57 HydrophobicContact CB-CG 4.48Å; A51-L57 WeakPolarHBondContact O-CD1 3.43Å; H54-L57 PolarHBondContact O-N 2.86Å; P55-L57 VanDerWaalsContact C-N 3.3Å; P55-L57 PolarHBondContact O-N 2.94Å; L57-S59 PolarHBondContact O-N 2.8Å; L57-G60 PolarHBondContact O-N 3.23Å
58	Q	77.8	Confident	78.7	Confident	139 Å²	139	80.2 Å²	80.2	65%	0.65	45%	0.445	S	S	*	.	H	α-helix	trans	-65.3	-36.2	179.7	-69	-169.7	-13.2	0	0	113.5	S53 H54 G60	S53-Q58 PolarHBondContact O-NE2 3.21Å; H54-Q58 PolarHBondContact O-N 3.44Å; Q58-G60 PolarHBondContact O-N 3.33Å
59	S	75.1	Confident	78.1	Confident	57 Å²	57	80.3 Å²	80.3	40%	0.399	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	3.6	-179.3	61.9	0	0	0	0	114.2	P55 L57 K61	P55-S59 WeakPolarHBondContact O-CB 3.4Å; P55-S59 PolarHBondContact O-N 3.1Å; P55-S59 PolarHBondContact O-OG 3.19Å; L57-S59 PolarHBondContact O-N 2.8Å; S59-K61 PolarHBondContact O-N 2.98Å; S59-K61 VanDerWaalsContact O-N 3.08Å; S59-K61 WeakPolarHBondContact OG-CD 3.31Å; S59-K61 VanDerWaalsContact OG-CE 3.28Å; S59-K61 WeakPolarHBondContact OG-CE 3.33Å; S59-K61 VanDerWaalsContact OG-CG 3.32Å; S59-K61 WeakPolarHBondContact OG-CG 3.47Å
60	G	70.8	Confident	77.4	Confident	62 Å²	62	82.7 Å²	82.7	64%	0.639	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	20.3	177.5	0	0	0	0	0	113.9	L57 Q58	L57-G60 PolarHBondContact O-N 3.23Å; Q58-G60 PolarHBondContact O-N 3.33Å
61	K	77.8	Confident	76.7	Confident	135 Å²	135	82.6 Å²	82.6	59%	0.587	46%	0.458	S	S	*	.			trans	-73.9	130.3	-175.5	-72	174.1	-172.5	169.6	0	110.3	S59 I63	S59-K61 PolarHBondContact O-N 2.98Å; S59-K61 VanDerWaalsContact O-N 3.08Å; S59-K61 WeakPolarHBondContact OG-CD 3.31Å; S59-K61 VanDerWaalsContact OG-CE 3.28Å; S59-K61 WeakPolarHBondContact OG-CE 3.33Å; S59-K61 VanDerWaalsContact OG-CG 3.32Å; S59-K61 WeakPolarHBondContact OG-CG 3.47Å; K61-I63 PolarHBondContact O-N 2.81Å
62	T	76.6	Confident	76	Confident	124 Å²	124	88.3 Å²	88.3	76%	0.761	49%	0.493	S	S	*	.			trans	-69	119.7	172	-47.9	0	0	0	0	110.1	K64	T62-K64 PolarHBondContact O-N 3.23Å; T62-K64 VanDerWaalsContact O-N 3.14Å
63	I	80.4	Confident	75.5	Confident	59 Å²	59	88.2 Å²	88.2	30%	0.303	50%	0.497	S	S	.	.			trans	-68.6	110.7	174.9	-58.1	172.9	0	0	0	108.1	V56 K61 I66 I99	V56-I63 HydrophobicContact CG1-CD1 4.4Å; V56-I63 HydrophobicContact CG1-CG1 4.17Å; K61-I63 PolarHBondContact O-N 2.81Å; I63-I66 HydrophobicContact CG2-CD1 4.21Å; I63-I66 HydrophobicContact CG2-CG1 3.71Å; I63-I99 HydrophobicContact CD1-CD1 4.05Å; I63-I99 HydrophobicContact CD1-CG2 4.44Å
64	K	81.6	Confident	74.6	Confident	207 Å²	207	88.8 Å²	88.8	90%	0.9	50%	0.5	S	S	*	.			trans	-79.5	-36.4	-178.9	-68.6	-176.3	177.1	-178.8	0	113.2	T62	T62-K64 PolarHBondContact O-N 3.23Å; T62-K64 VanDerWaalsContact O-N 3.14Å
65	S	78.3	Confident	74.2	Confident	95 Å²	95	89.9 Å²	89.9	66%	0.664	51%	0.509	S	S	*	.			trans	-162.2	144.1	-175.9	175.7	0	0	0	0	109.9
66	I	79.4	Confident	73.7	Confident	46 Å²	46	94 Å²	94	24%	0.236	52%	0.518	C	S	.	.			trans	-113.8	120	174.1	-56.3	-179.2	0	0	0	108.7	I63 Y68 V95 E96 I99	I63-I66 HydrophobicContact CG2-CD1 4.21Å; I63-I66 HydrophobicContact CG2-CG1 3.71Å; I66-Y68 HydrophobicContact CB-CE2 4.02Å; I66-Y68 HydrophobicContact CG2-CD2 4.5Å; I66-Y68 HydrophobicContact CG2-CE1 4.26Å; I66-Y68 HydrophobicContact CG2-CE2 3.97Å; I66-Y68 VanDerWaalsContact O-CD2 3.3Å; I66-Y68 WeakPolarHBondContact O-CD2 3.02Å; I66-Y68 WeakPolarHBondContact O-CE2 3.35Å; I66-V95 HydrophobicContact CD1-CG1 4.38Å; I66-E96 HydrophobicContact CB-CG 4.34Å; I66-E96 HydrophobicContact CD1-CG 3.73Å; I66-E96 HydrophobicContact CG1-CG 4.07Å; I66-E96 PolarHBondContact N-OE1 3.35Å; I66-I99 HydrophobicContact CD1-CD1 4.12Å
67	S	78.9	Confident	73.1	Confident	94 Å²	94	96.6 Å²	96.6	66%	0.657	53%	0.53	S	S	*	.			trans	-84.3	123.5	173.8	-176.9	0	0	0	0	111	Q69	S67-Q69 PolarHBondContact OG-N 3.32Å
68	Y	74.4	Confident	72.4	Confident	50 Å²	50	100.8 Å²	100.8	20%	0.196	55%	0.547	C	S	.	.			trans	-98.2	10.6	175.1	-61	-90.1	0	0	0	112.7	I66 R76 L77 V95	I66-Y68 HydrophobicContact CB-CE2 4.02Å; I66-Y68 HydrophobicContact CG2-CD2 4.5Å; I66-Y68 HydrophobicContact CG2-CE1 4.26Å; I66-Y68 HydrophobicContact CG2-CE2 3.97Å; I66-Y68 VanDerWaalsContact O-CD2 3.3Å; I66-Y68 WeakPolarHBondContact O-CD2 3.02Å; I66-Y68 WeakPolarHBondContact O-CE2 3.35Å; Y68-R76 PolarHBondContact O-N 3.2Å; Y68-L77 HydrophobicContact CD2-CD1 3.76Å; Y68-L77 HydrophobicContact CD2-CD2 4.41Å; Y68-L77 HydrophobicContact CD2-CG 4.07Å; Y68-L77 HydrophobicContact CG-CD1 4.08Å; Y68-L77 HydrophobicContact CG-CD2 4.47Å; Y68-L77 HydrophobicContact CG-CG 3.96Å; Y68-V95 HydrophobicContact CE1-CG2 4.41Å; Y68-V95 PolarHBondContact OH-N 2.88Å
69	Q	73.1	Confident	71.7	Confident	114 Å²	114	97.8 Å²	97.8	53%	0.533	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.7	-178.7	-170.1	171.5	-6.2	0	0	109.9	S67 S71 T72	S67-Q69 PolarHBondContact OG-N 3.32Å; Q69-S71 WeakPolarHBondContact CG-O 3.3Å; Q69-S71 PolarHBondContact NE2-O 2.81Å; Q69-T72 PolarHBondContact NE2-O 2.86Å
70	I	71.2	Confident	70.7	Confident	104 Å²	104	103 Å²	103	53%	0.533	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.9	-31.3	179.5	-62.8	-174.2	0	0	0	111	C74 R76	I70-C74 PolarHBondContact N-O 2.8Å; I70-R76 HydrophobicContact CD1-CG 3.32Å; I70-R76 HydrophobicContact CG1-CG 3.89Å
71	S	72.6	Confident	69.9	Low	62 Å²	62	102.7 Å²	102.7	43%	0.434	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	172.6	173.6	70	0	0	0	0	110.7	Q69 N73 C74	Q69-S71 WeakPolarHBondContact CG-O 3.3Å; Q69-S71 PolarHBondContact NE2-O 2.81Å; S71-N73 PolarHBondContact O-N 3.02Å; S71-C74 PolarHBondContact N-O 2.79Å; S71-C74 PolarHBondContact O-N 2.85Å; S71-C74 WeakPolarHBondContact OG-CB 3.47Å; S71-C74 PolarHBondContact OG-N 2.8Å
72	T	67.3	Low	68.6	Low	121 Å²	121	100.5 Å²	100.5	74%	0.742	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-31.5	-178.6	46.9	0	0	0	0	113.6	Q69	Q69-T72 PolarHBondContact NE2-O 2.86Å
73	N	64.4	Low	67.4	Low	154 Å²	154	96.6 Å²	96.6	82%	0.824	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	8.9	180	-68.9	-57.6	0	0	0	114.5	S71	S71-N73 PolarHBondContact O-N 3.02Å
74	C	57.3	Low	66.1	Low	53 Å²	53	101.9 Å²	101.9	36%	0.358	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	102.2	-176.5	-165.1	0	0	0	0	111.7	I70 S71	I70-C74 PolarHBondContact N-O 2.8Å; S71-C74 PolarHBondContact N-O 2.79Å; S71-C74 PolarHBondContact O-N 2.85Å; S71-C74 WeakPolarHBondContact OG-CB 3.47Å; S71-C74 PolarHBondContact OG-N 2.8Å
75	S	69.3	Low	64.9	Low	33 Å²	33	102.1 Å²	102.1	23%	0.231	55%	0.545	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	126.5	168.8	-179.9	0	0	0	0	110.4	L77 Q78	S75-L77 PolarHBondContact O-N 3.07Å; S75-L77 PolarHBondContact OG-N 3.31Å; S75-Q78 PolarHBondContact O-N 3.27Å; S75-Q78 VanDerWaalsContact O-N 3.14Å
76	R	67.6	Low	63.7	Low	137 Å²	137	103 Å²	103	52%	0.517	54%	0.537	S	S	.	.	G	3₁₀ helix	trans	-66.7	-17.2	177.1	-75.6	-71.2	-166.8	-157.7	-8.7	113.4	Y68 I70 Q78 N79	Y68-R76 PolarHBondContact O-N 3.2Å; I70-R76 HydrophobicContact CD1-CG 3.32Å; I70-R76 HydrophobicContact CG1-CG 3.89Å; R76-Q78 PolarHBondContact O-N 3.1Å; R76-N79 PolarHBondContact NH1-ND2 3.31Å; R76-N79 WeakPolarHBondContact O-CB 3.31Å; R76-N79 PolarHBondContact O-N 2.86Å
77	L	65.3	Low	62.4	Low	108 Å²	108	110 Å²	110	57%	0.565	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-66.5	-27.3	173.5	-74.8	162.6	0	0	0	112.3	Y68 S75 N79	Y68-L77 HydrophobicContact CD2-CD1 3.76Å; Y68-L77 HydrophobicContact CD2-CD2 4.41Å; Y68-L77 HydrophobicContact CD2-CG 4.07Å; Y68-L77 HydrophobicContact CG-CD1 4.08Å; Y68-L77 HydrophobicContact CG-CD2 4.47Å; Y68-L77 HydrophobicContact CG-CG 3.96Å; S75-L77 PolarHBondContact O-N 3.07Å; S75-L77 PolarHBondContact OG-N 3.31Å; L77-N79 VanDerWaalsContact C-N 3.32Å
78	Q	62.2	Low	60.9	Low	162 Å²	162	117 Å²	117	76%	0.757	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-93	8.2	-179.9	-62.4	177.5	7.2	0	0	112.6	S75 R76 K80	S75-Q78 PolarHBondContact O-N 3.27Å; S75-Q78 VanDerWaalsContact O-N 3.14Å; R76-Q78 PolarHBondContact O-N 3.1Å; Q78-K80 PolarHBondContact O-N 3.23Å
79	N	61.5	Low	59.8	Low	76 Å²	76	119.1 Å²	119.1	41%	0.406	59%	0.586	S	S	.	*			trans	-72.5	90.6	-172.3	-153.4	15.9	0	0	0	110.1	R76 L77 V81	R76-N79 PolarHBondContact NH1-ND2 3.31Å; R76-N79 WeakPolarHBondContact O-CB 3.31Å; R76-N79 PolarHBondContact O-N 2.86Å; L77-N79 VanDerWaalsContact C-N 3.32Å; N79-V81 PolarHBondContact O-N 3.38Å
80	K	54.9	Low	58.7	Low	166 Å²	166	121.1 Å²	121.1	72%	0.722	60%	0.599	S	S	*	*			trans	-74.8	102.6	172.7	-173	178	-179	179.4	0	108.6	Q78 S82	Q78-K80 PolarHBondContact O-N 3.23Å; K80-S82 PolarHBondContact O-N 3.46Å
81	V	54	Low	57.8	Low	57 Å²	57	123.8 Å²	123.8	35%	0.345	60%	0.603	S	S	.	*			trans	-80.5	105.8	177.7	-174.3	0	0	0	0	108.6	N79 K86	N79-V81 PolarHBondContact O-N 3.38Å; V81-K86 HydrophobicContact CG1-CB 3.75Å; V81-K86 HydrophobicContact CG1-CD 3.61Å; V81-K86 HydrophobicContact CG1-CG 4.24Å
82	S	51.2	Low	56.6	Low	89 Å²	89	128.9 Å²	128.9	62%	0.622	62%	0.624	S	S	*	*			trans	-120.6	146.4	175.2	64.6	0	0	0	0	111.7	K80	K80-S82 PolarHBondContact O-N 3.46Å
83	G	50.4	Low	55.7	Low	42 Å²	42	128.1 Å²	128.1	43%	0.433	61%	0.612	S	S	.	*	S	Bend	trans	146	143.9	178.5	0	0	0	0	0	113.1	F85 K86	G83-F85 PolarHBondContact O-N 2.95Å; G83-F85 VanDerWaalsContact O-N 3.15Å; G83-K86 PolarHBondContact O-N 3.43Å
84	K	53.8	Low	54.8	Low	169 Å²	169	126.1 Å²	126.1	74%	0.735	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-55.3	-34.6	-175.4	-67.2	-171.2	177.8	174.7	0	113.3
85	F	55.4	Low	54.4	Low	212 Å²	212	127 Å²	127	93%	0.93	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-85.4	-6.2	177.7	-77.3	-84.4	0	0	0	114.9	G83	G83-F85 PolarHBondContact O-N 2.95Å; G83-F85 VanDerWaalsContact O-N 3.15Å
86	K	54.5	Low	53.4	Low	113 Å²	113	128.1 Å²	128.1	49%	0.491	60%	0.602	S	S	.	*	G	3₁₀ helix	trans	-107.8	6.3	-175.5	-60.2	-175.6	-179.9	175.8	0	113.6	V81 G83 R88 I89	V81-K86 HydrophobicContact CG1-CB 3.75Å; V81-K86 HydrophobicContact CG1-CD 3.61Å; V81-K86 HydrophobicContact CG1-CG 4.24Å; G83-K86 PolarHBondContact O-N 3.43Å; K86-R88 PolarHBondContact O-N 3.16Å; K86-R88 VanDerWaalsContact O-N 3.14Å; K86-I89 HydrophobicContact CB-CD1 4.37Å; K86-I89 HydrophobicContact CG-CD1 4.49Å; K86-I89 PolarHBondContact O-N 3Å
87	R	51	Low	52.4	Low	195 Å²	195	124.3 Å²	124.3	74%	0.736	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.3	-10.9	-176.6	-68	179.6	-172.4	157	-5.2	115.6
88	R	46.8	Very low	51.7	Low	240 Å²	240	123 Å²	123	91%	0.906	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	14.2	180	-62.5	-167.7	-148.4	-168.8	6.4	114.1	K86	K86-R88 PolarHBondContact O-N 3.16Å; K86-R88 VanDerWaalsContact O-N 3.14Å
89	I	51.2	Low	50.9	Low	95 Å²	95	117.7 Å²	117.7	49%	0.487	56%	0.564	S	S	.	*			trans	-87.4	113.4	174.4	-62.7	177.3	0	0	0	107.5	K86	K86-I89 HydrophobicContact CB-CD1 4.37Å; K86-I89 HydrophobicContact CG-CD1 4.49Å; K86-I89 PolarHBondContact O-N 3Å
90	I	51.1	Low	50.1	Low	155 Å²	155	120.3 Å²	120.3	80%	0.795	57%	0.572	S	S	*	*			trans	-68.9	132.3	173.9	-68.7	163.8	0	0	0	108.1
91	Y	52.9	Low	49.7	Very low	161 Å²	161	120 Å²	120	63%	0.631	57%	0.566	S	S	*	*			trans	-58.1	138.1	177.7	-91	-101.8	0	0	0	110.8	E93	Y91-E93 PolarHBondContact O-N 3.21Å
92	L	46.1	Very low	49.3	Very low	168 Å²	168	126 Å²	126	88%	0.88	59%	0.587	S	S	*	*			trans	-65.9	115.3	174.1	-67.3	170.7	0	0	0	108.9
93	E	49.4	Very low	48.8	Very low	105 Å²	105	127.5 Å²	127.5	49%	0.491	59%	0.586	S	S	.	*			trans	-60.8	145.1	162.4	-145.4	-179.4	170.4	0	0	107.6	Y91 V95 R101	Y91-E93 PolarHBondContact O-N 3.21Å; E93-V95 PolarHBondContact O-N 3.19Å; E93-R101 IonicContact OE1-CZ 3.32Å; E93-R101 IonicContact OE1-NH1 2.82Å; E93-R101 PolarHBondContact OE1-NH1 2.84Å; E93-R101 IonicContact OE1-NH2 2.75Å; E93-R101 PolarHBondContact OE1-NH2 3.06Å; E93-R101 IonicContact OE2-NH1 3.48Å; E93-R101 PolarHBondContact OE2-NH1 2.99Å; E93-R101 VanDerWaalsContact OE2-NH1 3.07Å
94	K	45.6	Very low	48	Very low	112 Å²	112	132.5 Å²	132.5	49%	0.487	60%	0.6	S	S	.	*			trans	-54.5	130.8	-177	-67.9	175.1	178.4	176.1	0	109.1	E96 D97	K94-E96 PolarHBondContact O-N 3.07Å; K94-E96 VanDerWaalsContact O-N 3.1Å; K94-D97 PolarHBondContact O-N 3.22Å
95	V	48.3	Very low	47.2	Very low	71 Å²	71	129.3 Å²	129.3	43%	0.43	60%	0.597	S	S	.	*	H	α-helix	trans	-58	-29.2	179.1	178.3	0	0	0	0	110.8	I66 Y68 E93 D97 V98 I99	I66-V95 HydrophobicContact CD1-CG1 4.38Å; Y68-V95 HydrophobicContact CE1-CG2 4.41Å; Y68-V95 PolarHBondContact OH-N 2.88Å; E93-V95 PolarHBondContact O-N 3.19Å; V95-D97 VanDerWaalsContact C-N 3.3Å; V95-D97 PolarHBondContact O-N 3.34Å; V95-V98 PolarHBondContact O-N 3.29Å; V95-I99 HydrophobicContact CG1-CD1 3.71Å; V95-I99 HydrophobicContact CG1-CG1 4.16Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.31Å
96	E	47.6	Very low	46.7	Very low	57 Å²	57	128.3 Å²	128.3	27%	0.266	60%	0.6	S	S	.	*	H	α-helix	trans	-57.3	-38.2	173.4	-63	-179.6	168.3	0	0	113.3	I66 K94 K100	I66-E96 HydrophobicContact CB-CG 4.34Å; I66-E96 HydrophobicContact CD1-CG 3.73Å; I66-E96 HydrophobicContact CG1-CG 4.07Å; I66-E96 PolarHBondContact N-OE1 3.35Å; K94-E96 PolarHBondContact O-N 3.07Å; K94-E96 VanDerWaalsContact O-N 3.1Å; E96-K100 WeakPolarHBondContact O-CB 3.36Å; E96-K100 VanDerWaalsContact O-CG 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.35Å; E96-K100 PolarHBondContact O-N 3.14Å
97	D	47.9	Very low	46.2	Very low	58 Å²	58	127 Å²	127	31%	0.31	61%	0.605	S	S	.	*	H	α-helix	trans	-75.6	-33.2	-179.4	-65.3	-40.5	0	0	0	111.4	K94 V95 R101	K94-D97 PolarHBondContact O-N 3.22Å; V95-D97 VanDerWaalsContact C-N 3.3Å; V95-D97 PolarHBondContact O-N 3.34Å; D97-R101 WeakPolarHBondContact O-CB 3.28Å; D97-R101 WeakPolarHBondContact O-CG 3.26Å; D97-R101 PolarHBondContact O-N 3.41Å
98	V	49.4	Very low	46	Very low	79 Å²	79	126.5 Å²	126.5	48%	0.479	62%	0.616	S	S	.	*	H	α-helix	trans	-69.2	-42.6	174.4	-178.5	0	0	0	0	111.2	V95 R101 K102	V95-V98 PolarHBondContact O-N 3.29Å; V98-R101 PolarHBondContact O-N 3.19Å; V98-K102 PolarHBondContact O-N 3.17Å; V98-K102 VanDerWaalsContact O-N 3.14Å
99	I	45.9	Very low	45.6	Very low	52 Å²	52	118.7 Å²	118.7	27%	0.267	61%	0.611	S	S	.	*	H	α-helix	trans	-67.5	-43.3	177.8	-66.3	171.7	0	0	0	110.4	I63 I66 V95 R101 K102 M103	I63-I99 HydrophobicContact CD1-CD1 4.05Å; I63-I99 HydrophobicContact CD1-CG2 4.44Å; I66-I99 HydrophobicContact CD1-CD1 4.12Å; V95-I99 HydrophobicContact CG1-CD1 3.71Å; V95-I99 HydrophobicContact CG1-CG1 4.16Å; V95-I99 WeakPolarHBondContact O-CG1 3.46Å; V95-I99 PolarHBondContact O-N 3.31Å; I99-R101 PolarHBondContact O-N 3.42Å; I99-K102 PolarHBondContact O-N 3.38Å; I99-M103 HydrophobicContact CG2-CG 4.43Å; I99-M103 HydrophobicContact CG2-SD 3.86Å; I99-M103 WeakPolarHBondContact O-CB 3.39Å; I99-M103 PolarHBondContact O-N 3.25Å
100	K	45.3	Very low	45	Very low	131 Å²	131	121.7 Å²	121.7	57%	0.57	63%	0.627	S	S	*	*	H	α-helix	trans	-58.8	-45.3	174.4	-77.9	173.8	-176.2	174.2	0	112	E96 K102 M103 M104	E96-K100 WeakPolarHBondContact O-CB 3.36Å; E96-K100 VanDerWaalsContact O-CG 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.35Å; E96-K100 PolarHBondContact O-N 3.14Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.14Å; K100-M103 PolarHBondContact O-N 2.84Å; K100-M104 WeakPolarHBondContact O-CG 3.19Å; K100-M104 PolarHBondContact O-N 3.42Å
101	R	45.9	Very low	44.2	Very low	160 Å²	160	122.9 Å²	122.9	60%	0.604	63%	0.629	S	S	*	*	H	α-helix	trans	-60.4	-35.7	176.3	-76.7	178.8	-171.4	145.4	9.5	113	E93 D97 V98 I99	E93-R101 IonicContact OE1-CZ 3.32Å; E93-R101 IonicContact OE1-NH1 2.82Å; E93-R101 PolarHBondContact OE1-NH1 2.84Å; E93-R101 IonicContact OE1-NH2 2.75Å; E93-R101 PolarHBondContact OE1-NH2 3.06Å; E93-R101 IonicContact OE2-NH1 3.48Å; E93-R101 PolarHBondContact OE2-NH1 2.99Å; E93-R101 VanDerWaalsContact OE2-NH1 3.07Å; D97-R101 WeakPolarHBondContact O-CB 3.28Å; D97-R101 WeakPolarHBondContact O-CG 3.26Å; D97-R101 PolarHBondContact O-N 3.41Å; V98-R101 PolarHBondContact O-N 3.19Å; I99-R101 PolarHBondContact O-N 3.42Å
102	K	45.3	Very low	43.7	Very low	181 Å²	181	121.4 Å²	121.4	79%	0.787	63%	0.631	S	S	*	*	H	α-helix	trans	-80.8	-24.7	179.4	-146.5	-178.4	-175.7	-169.1	0	113.3	V98 I99 K100	V98-K102 PolarHBondContact O-N 3.17Å; V98-K102 VanDerWaalsContact O-N 3.14Å; I99-K102 PolarHBondContact O-N 3.38Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.14Å
103	M	40.4	Very low	43.9	Very low	122 Å²	122	118.9 Å²	118.9	60%	0.601	63%	0.625	S	S	*	*	H	α-helix	trans	-93.1	-7	179	-82.9	-177.9	139.4	0	0	114.5	I99 K100 P105	I99-M103 HydrophobicContact CG2-CG 4.43Å; I99-M103 HydrophobicContact CG2-SD 3.86Å; I99-M103 WeakPolarHBondContact O-CB 3.39Å; I99-M103 PolarHBondContact O-N 3.25Å; K100-M103 PolarHBondContact O-N 2.84Å; M103-P105 VanDerWaalsContact O-CD 3.24Å; M103-P105 WeakPolarHBondContact O-CD 3.1Å
104	M	33.8	Very low	43.5	Very low	146 Å²	146	122.7 Å²	122.7	72%	0.719	64%	0.642	S	S	*	*	S	Bend	trans	-73.3	116.4	170.5	-73.2	-173.5	90.6	0	0	109.1	K100 L106	K100-M104 WeakPolarHBondContact O-CG 3.19Å; K100-M104 PolarHBondContact O-N 3.42Å; M104-L106 PolarHBondContact O-N 2.92Å
105	P	37.4	Very low	43.4	Very low	103 Å²	103	126.7 Å²	126.7	67%	0.669	68%	0.684	S	S	*	*			trans	-63.6	132.3	171.7	26.2	-30.8	0	0	0	108.8	M103 S107	M103-P105 VanDerWaalsContact O-CD 3.24Å; M103-P105 WeakPolarHBondContact O-CD 3.1Å; P105-S107 PolarHBondContact O-N 3.15Å
106	L	44.4	Very low	43.2	Very low	191 Å²	191	129.5 Å²	129.5	100%	1	70%	0.697	S	S	*	*			trans	-61.7	79.9	161.5	-84	139.5	0	0	0	108.2	M104	M104-L106 PolarHBondContact O-N 2.92Å
107	S	45.1	Very low	43	Very low	85 Å²	85	133.3 Å²	133.3	59%	0.594	72%	0.719	S	S	*	*			trans	-133	60.2	174	67	0	0	0	0	110.3	P105	P105-S107 PolarHBondContact O-N 3.15Å
108	L	46.1	Very low	42.7	Very low	184 Å²	184	137.4 Å²	137.4	96%	0.963	74%	0.742	S	S	*	*			trans	-149.5	101.2	159.6	-106.7	115	0	0	0	108.7
109	G	39.2	Very low	42.3	Very low	77 Å²	77	140.9 Å²	140.9	79%	0.794	76%	0.758	S	S	*	*			trans	157.8	37.5	172.4	0	0	0	0	0	117.3
110	L	38	Very low	42.1	Very low	158 Å²	158	146.4 Å²	146.4	83%	0.827	79%	0.788	S	S	*	*			trans	-131.2	86.4	160.4	-102.2	140.1	0	0	0	108.2	L112	L110-L112 HydrophobicContact CD2-CD1 3.6Å
111	H	34.8	Very low	41.8	Very low	180 Å²	180	147.5 Å²	147.5	83%	0.833	80%	0.803	S	S	*	*			trans	-110.8	91.7	159.7	-144.1	-56.3	0	0	0	106.1	P113	H111-P113 WeakPolarHBondContact O-CD 3.17Å
112	L	41.2	Very low	41.5	Very low	129 Å²	129	146.6 Å²	146.6	68%	0.675	82%	0.817	S	S	*	*			trans	-75.5	123.2	157.6	-84.9	124.2	0	0	0	106.9	L110	L110-L112 HydrophobicContact CD2-CD1 3.6Å
113	P	51.5	Low	41.3	Very low	116 Å²	116	143.9 Å²	143.9	75%	0.753	82%	0.819	S	S	*	*			trans	-82.6	109.9	157.6	30.2	-26.1	0	0	0	108.3	H111	H111-P113 WeakPolarHBondContact O-CD 3.17Å
114	H	40.1	Very low	41.3	Very low	184 Å²	184	145.8 Å²	145.8	85%	0.852	84%	0.838	S	S	*	*			trans	-69.8	122.7	153.2	-98.4	-90.3	0	0	0	108.2
115	S	44.3	Very low	42	Very low	196 Å²	196	145.7 Å²	145.7	100%	1.371	85%	0.848	S	S	*	*			trans	-164.6	0	140.3	-123.8	0	0	0	0	108.5

Retrieved 115 of 115 residues in 122 ms (Link to these results)

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