A0A3B3UCY6_9TELE Loading...

Neuropeptide B

AlphaFold DB , UniProt , Accession A0A3B3UCY6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 128 aa.

						>A0A3B3UCY6_9TELE|A0A3B3UCY6
MEMTSKLMFPIVAFCLLVACSPSEAWYKQVAGPNYYSVGRASGLLSGIRRSSSYARREESPSESGESATSSVLSQLLSHNSVLKTMPLCIKDITPNLQSCELFQETKGSLKCKADIFLSLDSSDCEGD
					

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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	51.8	Low	69.2	Low	218 Å²	218	127.2 Å²	127.2	100%	1.074	65%	0.646	S	S	*	*				0	34.8	0	-72.8	160.8	69.8	0	0	111.8	T4	M1-T4 PolarHBondContact O-OG1 3.24Å
2	E	55.5	Low	70.7	Confident	158 Å²	158	122.8 Å²	122.8	74%	0.738	63%	0.63	S	S	*	*			trans	-102.1	-23.9	-174.3	-61.6	177.5	120.4	0	0	113.1	T4	E2-T4 VanDerWaalsContact C-N 3.34Å
3	M	56.3	Low	71.8	Confident	154 Å²	154	116.4 Å²	116.4	76%	0.759	61%	0.607	S	S	*	*	H	α-helix	trans	-73.1	-26.7	178.7	-71.9	155.8	106.7	0	0	112.6	L7	M3-L7 PolarHBondContact O-N 3.38Å
4	T	60.6	Low	72.7	Confident	93 Å²	93	117.9 Å²	117.9	57%	0.571	61%	0.606	S	S	*	*	H	α-helix	trans	-69.4	-37.1	176.3	48.5	0	0	0	0	111.8	M1 E2 L7 M8	M1-T4 PolarHBondContact O-OG1 3.24Å; E2-T4 VanDerWaalsContact C-N 3.34Å; T4-L7 PolarHBondContact O-N 3.37Å; T4-M8 WeakPolarHBondContact O-CG 3.06Å; T4-M8 PolarHBondContact O-N 3.42Å
5	S	64.8	Low	73.4	Confident	82 Å²	82	114.8 Å²	114.8	57%	0.573	60%	0.598	S	S	*	*	H	α-helix	trans	-64.4	-41.9	175.7	159.2	0	0	0	0	112.4	L7 M8	S5-L7 VanDerWaalsContact C-N 3.28Å; S5-L7 PolarHBondContact O-N 2.97Å; S5-M8 PolarHBondContact O-N 3.27Å
6	K	69.9	Low	74.1	Confident	158 Å²	158	114.6 Å²	114.6	69%	0.687	60%	0.597	S	S	*	*	H	α-helix	trans	-67.2	-28.9	-179.7	-64.5	180	-175.8	-179.7	0	112.9	P10	K6-P10 WeakPolarHBondContact O-CD 3.08Å
7	L	73.6	Confident	74.3	Confident	110 Å²	110	115.3 Å²	115.3	58%	0.576	60%	0.601	S	S	*	*	H	α-helix	trans	-87.6	-24.7	176	-66.8	171.9	0	0	0	112.6	M3 T4 S5 F9 P10 I11	M3-L7 PolarHBondContact O-N 3.38Å; T4-L7 PolarHBondContact O-N 3.37Å; S5-L7 VanDerWaalsContact C-N 3.28Å; S5-L7 PolarHBondContact O-N 2.97Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 2.9Å; L7-P10 WeakPolarHBondContact O-CD 3.49Å; L7-P10 VanDerWaalsContact O-CG 3.25Å; L7-P10 WeakPolarHBondContact O-CG 3.25Å; L7-I11 HydrophobicContact CB-CD1 4.39Å; L7-I11 WeakPolarHBondContact O-CB 3.39Å; L7-I11 WeakPolarHBondContact O-CD1 3.41Å; L7-I11 WeakPolarHBondContact O-CG1 3.23Å; L7-I11 PolarHBondContact O-N 3.3Å
8	M	80.4	Confident	74.4	Confident	105 Å²	105	113.6 Å²	113.6	52%	0.517	60%	0.596	S	S	.	*	H	α-helix	trans	-62.2	-39.5	175.2	-76.2	-108.3	70.5	0	0	112.3	T4 S5 I11 V12	T4-M8 WeakPolarHBondContact O-CG 3.06Å; T4-M8 PolarHBondContact O-N 3.42Å; S5-M8 PolarHBondContact O-N 3.27Å; M8-I11 PolarHBondContact O-N 3.49Å; M8-V12 WeakPolarHBondContact O-CB 3.18Å; M8-V12 VanDerWaalsContact O-CG2 3.23Å; M8-V12 WeakPolarHBondContact O-CG2 3Å; M8-V12 PolarHBondContact O-N 2.96Å
9	F	80	Confident	74.5	Confident	166 Å²	166	112.2 Å²	112.2	73%	0.728	60%	0.603	S	S	*	*	H	α-helix	trans	-62.6	-51.3	-179.5	-165.8	-95.5	0	0	0	114	L7 I11 V12 A13	L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 2.9Å; F9-I11 VanDerWaalsContact C-N 3.31Å; F9-I11 PolarHBondContact O-N 3.4Å; F9-V12 PolarHBondContact O-N 3.44Å; F9-A13 WeakPolarHBondContact O-CB 3.21Å; F9-A13 PolarHBondContact O-N 3.24Å
10	P	83.1	Confident	74	Confident	66 Å²	66	111.9 Å²	111.9	43%	0.429	61%	0.608	S	S	.	*	H	α-helix	trans	-66.5	-32.5	176.2	26	-34.4	0	0	0	112.4	K6 L7 A13 F14	K6-P10 WeakPolarHBondContact O-CD 3.08Å; L7-P10 WeakPolarHBondContact O-CD 3.49Å; L7-P10 VanDerWaalsContact O-CG 3.25Å; L7-P10 WeakPolarHBondContact O-CG 3.25Å; P10-A13 PolarHBondContact O-N 2.89Å; P10-F14 VanDerWaalsContact O-CB 3.31Å; P10-F14 WeakPolarHBondContact O-CB 3.27Å; P10-F14 PolarHBondContact O-N 3.48Å
11	I	85.9	Confident	73.5	Confident	89 Å²	89	109.7 Å²	109.7	46%	0.456	60%	0.601	S	S	.	*	H	α-helix	trans	-65.1	-47.3	175.8	-68.7	166.8	0	0	0	110.6	L7 M8 F9 A13 F14 C15	L7-I11 HydrophobicContact CB-CD1 4.39Å; L7-I11 WeakPolarHBondContact O-CB 3.39Å; L7-I11 WeakPolarHBondContact O-CD1 3.41Å; L7-I11 WeakPolarHBondContact O-CG1 3.23Å; L7-I11 PolarHBondContact O-N 3.3Å; M8-I11 PolarHBondContact O-N 3.49Å; F9-I11 VanDerWaalsContact C-N 3.31Å; F9-I11 PolarHBondContact O-N 3.4Å; I11-A13 VanDerWaalsContact C-N 3.35Å; I11-A13 PolarHBondContact O-N 2.87Å; I11-F14 PolarHBondContact O-N 3.44Å; I11-C15 WeakPolarHBondContact O-CB 3.39Å; I11-C15 PolarHBondContact O-N 3.4Å; I11-C15 PolarHBondContact O-SG 3.21Å
12	V	87	Confident	73.7	Confident	75 Å²	75	104.7 Å²	104.7	46%	0.455	59%	0.585	S	S	.	*	H	α-helix	trans	-63.8	-42.1	177.5	170.9	0	0	0	0	110.8	M8 F9 F14 C15 L16	M8-V12 WeakPolarHBondContact O-CB 3.18Å; M8-V12 VanDerWaalsContact O-CG2 3.23Å; M8-V12 WeakPolarHBondContact O-CG2 3Å; M8-V12 PolarHBondContact O-N 2.96Å; F9-V12 PolarHBondContact O-N 3.44Å; V12-F14 PolarHBondContact O-N 3.49Å; V12-C15 PolarHBondContact O-N 3.19Å; V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 WeakPolarHBondContact O-CG 3.11Å; V12-L16 PolarHBondContact O-N 2.96Å
13	A	84.8	Confident	73.8	Confident	39 Å²	39	102.2 Å²	102.2	32%	0.322	59%	0.585	S	S	.	*	H	α-helix	trans	-61.2	-42.5	175.6	0	0	0	0	0	112.2	F9 P10 I11 L16 L17	F9-A13 WeakPolarHBondContact O-CB 3.21Å; F9-A13 PolarHBondContact O-N 3.24Å; P10-A13 PolarHBondContact O-N 2.89Å; I11-A13 VanDerWaalsContact C-N 3.35Å; I11-A13 PolarHBondContact O-N 2.87Å; A13-L16 PolarHBondContact O-N 3.02Å; A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.47Å
14	F	84.2	Confident	73.7	Confident	137 Å²	137	102 Å²	102	60%	0.601	58%	0.583	S	S	*	*	H	α-helix	trans	-65	-43.6	175.9	-173.4	-97.3	0	0	0	112	P10 I11 V12 L16 L17 V18	P10-F14 VanDerWaalsContact O-CB 3.31Å; P10-F14 WeakPolarHBondContact O-CB 3.27Å; P10-F14 PolarHBondContact O-N 3.48Å; I11-F14 PolarHBondContact O-N 3.44Å; V12-F14 PolarHBondContact O-N 3.49Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 2.92Å; F14-L17 PolarHBondContact O-N 3.33Å; F14-V18 HydrophobicContact CD1-CG2 4.19Å; F14-V18 HydrophobicContact CE1-CG2 3.82Å; F14-V18 HydrophobicContact CZ-CG2 4.06Å; F14-V18 WeakPolarHBondContact O-CG2 3.43Å; F14-V18 PolarHBondContact O-N 3Å
15	C	83.8	Confident	73.4	Confident	72 Å²	72	101.5 Å²	101.5	49%	0.486	59%	0.587	S	S	.	*	H	α-helix	trans	-60.6	-39.3	175.5	-70.4	0	0	0	0	112.3	I11 V12 V18 A19	I11-C15 WeakPolarHBondContact O-CB 3.39Å; I11-C15 PolarHBondContact O-N 3.4Å; I11-C15 PolarHBondContact O-SG 3.21Å; V12-C15 PolarHBondContact O-N 3.19Å; C15-V18 PolarHBondContact O-N 3.4Å; C15-A19 VanDerWaalsContact O-CB 3.27Å; C15-A19 WeakPolarHBondContact O-CB 3.34Å; C15-A19 PolarHBondContact O-N 3.37Å
16	L	83.8	Confident	72.8	Confident	112 Å²	112	109 Å²	109	59%	0.586	60%	0.603	S	S	*	*	H	α-helix	trans	-67.2	-38.7	175.3	-71.1	172	0	0	0	112	V12 A13 F14 A19 C20	V12-L16 HydrophobicContact CG1-CD1 4.16Å; V12-L16 WeakPolarHBondContact O-CG 3.11Å; V12-L16 PolarHBondContact O-N 2.96Å; A13-L16 PolarHBondContact O-N 3.02Å; F14-L16 VanDerWaalsContact C-N 3.31Å; F14-L16 PolarHBondContact O-N 2.92Å; L16-A19 PolarHBondContact O-N 3.16Å; L16-C20 WeakPolarHBondContact O-CB 3.33Å; L16-C20 PolarHBondContact O-N 2.9Å
17	L	77.1	Confident	72	Confident	126 Å²	126	110.2 Å²	110.2	66%	0.66	61%	0.605	S	S	*	*	H	α-helix	trans	-65.3	-38.1	176.3	-73.5	167.2	0	0	0	112.5	A13 F14 S21	A13-L17 WeakPolarHBondContact O-CG 3.31Å; A13-L17 PolarHBondContact O-N 3.47Å; F14-L17 PolarHBondContact O-N 3.33Å; L17-S21 PolarHBondContact O-N 3.46Å; L17-S21 VanDerWaalsContact O-N 3.16Å
18	V	76.9	Confident	70.7	Confident	85 Å²	85	113.4 Å²	113.4	52%	0.515	61%	0.614	S	S	.	*	H	α-helix	trans	-72.4	-42.6	175.7	175.5	0	0	0	0	111.2	F14 C15 C20 S21	F14-V18 HydrophobicContact CD1-CG2 4.19Å; F14-V18 HydrophobicContact CE1-CG2 3.82Å; F14-V18 HydrophobicContact CZ-CG2 4.06Å; F14-V18 WeakPolarHBondContact O-CG2 3.43Å; F14-V18 PolarHBondContact O-N 3Å; C15-V18 PolarHBondContact O-N 3.4Å; V18-C20 VanDerWaalsContact C-N 3.3Å; V18-C20 PolarHBondContact O-N 3.45Å; V18-S21 PolarHBondContact O-N 3.06Å; V18-S21 PolarHBondContact O-OG 3.42Å; V18-S21 VanDerWaalsContact O-OG 3.06Å
19	A	75.6	Confident	69.5	Low	87 Å²	87	116.2 Å²	116.2	72%	0.719	63%	0.626	S	S	*	*	H	α-helix	trans	-69.6	-28.8	179.3	0	0	0	0	0	113.1	C15 L16	C15-A19 VanDerWaalsContact O-CB 3.27Å; C15-A19 WeakPolarHBondContact O-CB 3.34Å; C15-A19 PolarHBondContact O-N 3.37Å; L16-A19 PolarHBondContact O-N 3.16Å
20	C	65.9	Low	67.9	Low	106 Å²	106	113.7 Å²	113.7	72%	0.716	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	8.5	-179.8	-140.5	0	0	0	0	112.7	L16 V18 P22	L16-C20 WeakPolarHBondContact O-CB 3.33Å; L16-C20 PolarHBondContact O-N 2.9Å; V18-C20 VanDerWaalsContact C-N 3.3Å; V18-C20 PolarHBondContact O-N 3.45Å; C20-P22 WeakPolarHBondContact O-CD 3.22Å
21	S	61.9	Low	66.3	Low	65 Å²	65	113.4 Å²	113.4	46%	0.455	63%	0.627	S	S	.	*			trans	-65.1	118.5	171.8	68.5	0	0	0	0	107.9	L17 V18 S23	L17-S21 PolarHBondContact O-N 3.46Å; L17-S21 VanDerWaalsContact O-N 3.16Å; V18-S21 PolarHBondContact O-N 3.06Å; V18-S21 PolarHBondContact O-OG 3.42Å; V18-S21 VanDerWaalsContact O-OG 3.06Å; S21-S23 PolarHBondContact O-N 2.95Å
22	P	56.1	Low	64.7	Low	114 Å²	114	111.8 Å²	111.8	74%	0.74	63%	0.633	S	S	*	*			trans	-71	89.3	169.2	30.5	-29.8	0	0	0	105.8	C20 E24	C20-P22 WeakPolarHBondContact O-CD 3.22Å; P22-E24 PolarHBondContact O-N 2.72Å
23	S	59.1	Low	63	Low	106 Å²	106	114.7 Å²	114.7	74%	0.741	65%	0.653	S	S	*	*			trans	-72.4	59.8	159.7	67.6	0	0	0	0	107.6	S21 A25	S21-S23 PolarHBondContact O-N 2.95Å; S23-A25 PolarHBondContact O-N 2.8Å
24	E	52.9	Low	61.5	Low	150 Å²	150	119.3 Å²	119.3	70%	0.701	67%	0.672	S	S	*	*			trans	-66.7	96.7	157.4	-154.7	105.4	-174.3	0	0	103.1	P22 W26	P22-E24 PolarHBondContact O-N 2.72Å; E24-W26 PolarHBondContact O-N 2.84Å
25	A	54.7	Low	59.7	Low	81 Å²	81	122.1 Å²	122.1	67%	0.669	68%	0.68	S	S	*	*			trans	-57.6	94.8	171.9	0	0	0	0	0	106.8	S23 Y27	S23-A25 PolarHBondContact O-N 2.8Å; A25-Y27 CarbonylContact O-C 3.57Å; A25-Y27 PolarHBondContact O-N 3.43Å
26	W	51.8	Low	58.3	Low	241 Å²	241	129.2 Å²	129.2	91%	0.913	70%	0.698	S	S	*	*			trans	-67.5	17.1	170.9	-94.2	74.9	0	0	0	112.2	E24 K28	E24-W26 PolarHBondContact O-N 2.84Å; W26-K28 VanDerWaalsContact C-N 3.33Å; W26-K28 PolarHBondContact O-N 2.87Å
27	Y	52.8	Low	56.9	Low	183 Å²	183	129.5 Å²	129.5	72%	0.718	71%	0.71	S	S	*	*			trans	-93.3	75.1	157	-149.7	-101.9	0	0	0	108.9	A25 Q29	A25-Y27 CarbonylContact O-C 3.57Å; A25-Y27 PolarHBondContact O-N 3.43Å; Y27-Q29 HydrophobicContact CD1-CB 4.23Å; Y27-Q29 HydrophobicContact CD1-CG 4.49Å; Y27-Q29 HydrophobicContact CE1-CB 4.3Å; Y27-Q29 HydrophobicContact CE1-CG 4.11Å; Y27-Q29 PolarHBondContact O-N 2.89Å
28	K	47.9	Very low	55.8	Low	176 Å²	176	127.7 Å²	127.7	77%	0.765	70%	0.704	S	S	*	*			trans	-60.1	99.1	155.1	-169	-178.3	-172.6	-179.4	0	105.3	W26 V30	W26-K28 VanDerWaalsContact C-N 3.33Å; W26-K28 PolarHBondContact O-N 2.87Å; K28-V30 HydrophobicContact CD-CG2 4.21Å; K28-V30 HydrophobicContact CG-CG2 4.17Å; K28-V30 PolarHBondContact O-N 2.75Å
29	Q	53.6	Low	54.8	Low	165 Å²	165	126.7 Å²	126.7	77%	0.771	71%	0.71	S	S	*	*			trans	-67	85.7	167.4	-155.7	167.1	-82.6	0	0	106	Y27 A31	Y27-Q29 HydrophobicContact CD1-CB 4.23Å; Y27-Q29 HydrophobicContact CD1-CG 4.49Å; Y27-Q29 HydrophobicContact CE1-CB 4.3Å; Y27-Q29 HydrophobicContact CE1-CG 4.11Å; Y27-Q29 PolarHBondContact O-N 2.89Å; Q29-A31 PolarHBondContact O-N 3.11Å; Q29-A31 VanDerWaalsContact O-N 3.11Å
30	V	46.8	Very low	53.9	Low	112 Å²	112	134.4 Å²	134.4	68%	0.679	72%	0.721	S	S	*	*			trans	-60	114.3	170.3	177.5	0	0	0	0	105.1	K28	K28-V30 HydrophobicContact CD-CG2 4.21Å; K28-V30 HydrophobicContact CG-CG2 4.17Å; K28-V30 PolarHBondContact O-N 2.75Å
31	A	49.9	Very low	53.5	Low	60 Å²	60	132.1 Å²	132.1	50%	0.496	71%	0.71	S	S	.	*			trans	26.8	119.6	160.8	0	0	0	0	0	116.3	Q29	Q29-A31 PolarHBondContact O-N 3.11Å; Q29-A31 VanDerWaalsContact O-N 3.11Å
32	G	52.9	Low	53.2	Low	56 Å²	56	131.5 Å²	131.5	58%	0.577	71%	0.706	S	S	*	*			trans	-46	156.8	160.7	0	0	0	0	0	111.5	N34	G32-N34 PolarHBondContact O-N 2.67Å
33	P	51.1	Low	53.2	Low	135 Å²	135	129.3 Å²	129.3	88%	0.877	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	14.1	-153.8	23.1	-34.1	0	0	0	117.2
34	N	52.2	Low	53	Low	137 Å²	137	130.7 Å²	130.7	73%	0.733	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.1	18.7	-172.4	-105.9	-36.5	0	0	0	117.8	G32	G32-N34 PolarHBondContact O-N 2.67Å
35	Y	47.5	Very low	53.1	Low	196 Å²	196	129.7 Å²	129.7	77%	0.769	70%	0.7	S	S	*	*			trans	-136.6	82.5	171.7	-66.5	-78	0	0	0	111.9	S37	Y35-S37 PolarHBondContact O-N 3.33Å
36	Y	54.1	Low	53	Low	220 Å²	220	131.1 Å²	131.1	86%	0.863	71%	0.705	S	S	*	*			trans	-59.7	122.1	152.8	-103	-97.2	0	0	0	107.8	V38	Y36-V38 PolarHBondContact O-N 3.04Å
37	S	54.6	Low	53.1	Low	119 Å²	119	122 Å²	122	83%	0.832	69%	0.687	S	S	*	*			trans	-59.5	89.1	166.3	-51.8	0	0	0	0	108	Y35 G39	Y35-S37 PolarHBondContact O-N 3.33Å; S37-G39 PolarHBondContact O-N 3.3Å
38	V	54.5	Low	53.1	Low	87 Å²	87	118.8 Å²	118.8	53%	0.527	68%	0.681	S	S	.	*			trans	-70.6	67.9	169	-82.5	0	0	0	0	108.4	Y36 R40 S42	Y36-V38 PolarHBondContact O-N 3.04Å; V38-R40 PolarHBondContact O-N 2.75Å; V38-S42 VanDerWaalsContact CB-CB 3.49Å; V38-S42 WeakPolarHBondContact CB-OG 3.41Å; V38-S42 VanDerWaalsContact CG2-OG 3.22Å; V38-S42 WeakPolarHBondContact CG2-OG 3.44Å; V38-S42 PolarHBondContact O-OG 3.19Å; V38-S42 VanDerWaalsContact O-OG 3.07Å
39	G	54.2	Low	53.5	Low	64 Å²	64	122 Å²	122	66%	0.66	69%	0.688	S	S	*	*	S	Bend	trans	-73.7	105.2	164.4	0	0	0	0	0	107.7	S37 A41	S37-G39 PolarHBondContact O-N 3.3Å; G39-A41 PolarHBondContact O-N 3.09Å
40	R	57.4	Low	53.4	Low	250 Å²	250	125.5 Å²	125.5	94%	0.943	69%	0.694	S	S	*	*	S	Bend	trans	81.9	-20.5	174.3	-56.4	-164.3	172.1	177.4	-0.7	119.2	V38	V38-R40 PolarHBondContact O-N 2.75Å
41	A	57	Low	53.4	Low	58 Å²	58	125 Å²	125	48%	0.479	70%	0.695	S	S	.	*	S	Bend	trans	-93.9	-15.7	-178.6	0	0	0	0	0	115.7	G39 G43 L44	G39-A41 PolarHBondContact O-N 3.09Å; A41-G43 VanDerWaalsContact C-N 3.25Å; A41-G43 PolarHBondContact O-N 3.32Å; A41-L44 PolarHBondContact O-N 3.11Å
42	S	56.2	Low	53.2	Low	52 Å²	52	127.2 Å²	127.2	36%	0.364	71%	0.708	S	S	.	*	H	α-helix	trans	-73.4	-10.9	-177.6	33.7	0	0	0	0	115	V38 L44	V38-S42 VanDerWaalsContact CB-CB 3.49Å; V38-S42 WeakPolarHBondContact CB-OG 3.41Å; V38-S42 VanDerWaalsContact CG2-OG 3.22Å; V38-S42 WeakPolarHBondContact CG2-OG 3.44Å; V38-S42 PolarHBondContact O-OG 3.19Å; V38-S42 VanDerWaalsContact O-OG 3.07Å; S42-L44 VanDerWaalsContact C-N 3.31Å
43	G	55.9	Low	52.9	Low	67 Å²	67	129.8 Å²	129.8	69%	0.691	72%	0.717	S	S	*	*	H	α-helix	trans	-71.2	-24.1	170.3	0	0	0	0	0	113.7	A41	A41-G43 VanDerWaalsContact C-N 3.25Å; A41-G43 PolarHBondContact O-N 3.32Å
44	L	55.7	Low	52.3	Low	136 Å²	136	132 Å²	132	71%	0.712	71%	0.709	S	S	*	*	H	α-helix	trans	-85.9	-31	-177.3	-85.3	160.4	0	0	0	113.3	A41 S42	A41-L44 PolarHBondContact O-N 3.11Å; S42-L44 VanDerWaalsContact C-N 3.31Å
45	L	53.8	Low	52.2	Low	128 Å²	128	129.9 Å²	129.9	67%	0.67	71%	0.71	S	S	*	*	H	α-helix	trans	-87.7	-14.3	-177.8	-64.5	177.9	0	0	0	113.8	G47 I48	L45-G47 PolarHBondContact O-N 3.49Å; L45-I48 HydrophobicContact CD2-CD1 3.83Å
46	S	53.4	Low	51.7	Low	111 Å²	111	130 Å²	130	78%	0.776	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-11.1	169.9	-86.7	0	0	0	0	113.7
47	G	52.9	Low	51.3	Low	51 Å²	51	129.9 Å²	129.9	53%	0.526	71%	0.707	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.4	-16.9	179.8	0	0	0	0	0	115.8	L45	L45-G47 PolarHBondContact O-N 3.49Å
48	I	54.1	Low	50.3	Low	115 Å²	115	131.7 Å²	131.7	59%	0.59	70%	0.703	S	S	*	*	G	3₁₀ helix	trans	-90.3	-12	-165.2	-64.5	158.7	0	0	0	113.1	L45 R50	L45-I48 HydrophobicContact CD2-CD1 3.83Å; I48-R50 PolarHBondContact O-N 3.47Å
49	R	54.8	Low	49.2	Very low	243 Å²	243	135.5 Å²	135.5	92%	0.917	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-80.7	17.8	174.9	-61	-162.4	-157.5	-108.4	5.2	114.6
50	R	52.9	Low	48.2	Very low	239 Å²	239	137 Å²	137	90%	0.902	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-134.1	-2.1	175.8	-94.1	-169.8	-165.1	148.7	5.3	118.4	I48 S52	I48-R50 PolarHBondContact O-N 3.47Å; R50-S52 PolarHBondContact O-N 3.49Å
51	S	45.4	Very low	47.8	Very low	100 Å²	100	130.3 Å²	130.3	70%	0.699	70%	0.704	S	S	*	*			trans	-105	67.1	177.5	55	0	0	0	0	112.1
52	S	47.2	Very low	46.6	Very low	108 Å²	108	133 Å²	133	76%	0.755	72%	0.72	S	S	*	*			trans	-72	138.6	148.3	159.1	0	0	0	0	107.9	R50	R50-S52 PolarHBondContact O-N 3.49Å
53	S	46.5	Very low	45.4	Very low	110 Å²	110	138.9 Å²	138.9	77%	0.769	74%	0.741	S	S	*	*			trans	73.5	97.5	173.4	72.1	0	0	0	0	116.8
54	Y	38	Very low	44.6	Very low	182 Å²	182	141.1 Å²	141.1	71%	0.714	75%	0.746	S	S	*	*				-166.5	117.6	109.5	-155.2	-95.1	0	0	0	109.8	R56	Y54-R56 HydrophobicContact CD1-CB 4.48Å; Y54-R56 VanDerWaalsContact CE1-CZ 3.47Å; Y54-R56 VanDerWaalsContact CE1-NH2 3.3Å; Y54-R56 PolarHBondContact O-N 2.88Å; Y54-R56 PolarHBondContact OH-NH2 2.02Å; Y54-R56 VanDerWaalsContact OH-NH2 3.12Å
55	A	50.5	Low	43.9	Very low	92 Å²	92	137.6 Å²	137.6	76%	0.76	74%	0.743	S	S	*	*			trans	-64.4	121.8	167.7	0	0	0	0	0	109.7
56	R	36.7	Very low	43.3	Very low	197 Å²	197	141 Å²	141	74%	0.743	76%	0.755	S	S	*	*			trans	-146.8	97.8	155	-166.7	150.2	-78	149.4	-3.8	110.6	Y54	Y54-R56 HydrophobicContact CD1-CB 4.48Å; Y54-R56 VanDerWaalsContact CE1-CZ 3.47Å; Y54-R56 VanDerWaalsContact CE1-NH2 3.3Å; Y54-R56 PolarHBondContact O-N 2.88Å; Y54-R56 PolarHBondContact OH-NH2 2.02Å; Y54-R56 VanDerWaalsContact OH-NH2 3.12Å
57	R	44.8	Very low	42.6	Very low	219 Å²	219	139 Å²	139	83%	0.826	74%	0.741	S	S	*	*			trans	-15.7	134	144.3	-131.6	-174.3	-159.2	129.4	2.1	113.6
58	E	34.8	Very low	42.4	Very low	156 Å²	156	140.3 Å²	140.3	73%	0.729	75%	0.748	S	S	*	*				154.2	138.6	119	-69.6	-110.4	150.8	0	0	113.2
59	E	30.5	Very low	42.1	Very low	167 Å²	167	140.9 Å²	140.9	78%	0.78	76%	0.756	S	S	*	*			trans	64.4	123.3	153.1	-137.7	68	-165.2	0	0	122.4
60	S	33.3	Very low	41.7	Very low	96 Å²	96	132 Å²	132	67%	0.671	73%	0.731	S	S	*	*			trans	-72.2	-172.4	161.1	59.6	0	0	0	0	112.8
61	P	49.1	Very low	41.5	Very low	110 Å²	110	122.8 Å²	122.8	71%	0.714	70%	0.704	S	S	*	*			cis	-132.2	-176.1	-15.5	32.6	-10.9	0	0	0	114.1
62	S	33.1	Very low	41.7	Very low	115 Å²	115	122.4 Å²	122.4	80%	0.804	70%	0.697	S	S	*	*			trans	76.6	140.1	165.6	-58.6	0	0	0	0	115.8
63	E	30.1	Very low	42	Very low	175 Å²	175	123 Å²	123	82%	0.818	69%	0.691	S	S	*	*			cis	-164	152.7	29.5	-148.5	175.1	-174.8	0	0	109.7
64	S	38.1	Very low	41.9	Very low	114 Å²	114	120.8 Å²	120.8	80%	0.797	68%	0.675	S	S	*	*			trans	58.4	116.7	150.6	64.9	0	0	0	0	121.2
65	G	41.9	Very low	42.5	Very low	62 Å²	62	118.3 Å²	118.3	64%	0.639	67%	0.671	S	S	*	*				118.7	113.8	128	0	0	0	0	0	116.4
66	E	42.1	Very low	42.6	Very low	198 Å²	198	119.7 Å²	119.7	93%	0.925	66%	0.664	S	S	*	*			trans	81.5	76.4	142.1	-52.2	168.3	148.3	0	0	116.9
67	S	38.4	Very low	43.4	Very low	69 Å²	69	113.2 Å²	113.2	48%	0.483	64%	0.644	S	S	.	*			trans	-142.1	69.3	157.7	-165.1	0	0	0	0	110.7	T69 S70 S71	S67-T69 PolarHBondContact O-N 2.65Å; S67-S70 VanDerWaalsContact CB-OG 3.23Å; S67-S70 WeakPolarHBondContact CB-OG 3.07Å; S67-S70 PolarHBondContact O-N 2.87Å; S67-S70 PolarHBondContact O-OG 3.01Å; S67-S70 VanDerWaalsContact OG-CB 3.3Å; S67-S70 WeakPolarHBondContact OG-CB 3.44Å; S67-S70 PolarHBondContact OG-OG 3.14Å; S67-S71 PolarHBondContact O-N 2.64Å
68	A	48.5	Very low	43.5	Very low	80 Å²	80	107.5 Å²	107.5	66%	0.661	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-8.9	179.7	0	0	0	0	0	113.9	S71	A68-S71 VanDerWaalsContact C-OG 3.28Å; A68-S71 WeakPolarHBondContact CA-OG 3.31Å; A68-S71 PolarHBondContact O-OG 3.06Å
69	T	47.1	Very low	44.4	Very low	126 Å²	126	108.1 Å²	108.1	77%	0.773	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-28.8	174.1	17.7	0	0	0	0	112.8	S67	S67-T69 PolarHBondContact O-N 2.65Å
70	S	45.9	Very low	45.4	Very low	56 Å²	56	104.4 Å²	104.4	39%	0.392	63%	0.626	S	S	.	*	H	α-helix	trans	-70.2	-25.8	166.6	70.8	0	0	0	0	111	S67 V72 S74	S67-S70 VanDerWaalsContact CB-OG 3.23Å; S67-S70 WeakPolarHBondContact CB-OG 3.07Å; S67-S70 PolarHBondContact O-N 2.87Å; S67-S70 PolarHBondContact O-OG 3.01Å; S67-S70 VanDerWaalsContact OG-CB 3.3Å; S67-S70 WeakPolarHBondContact OG-CB 3.44Å; S67-S70 PolarHBondContact OG-OG 3.14Å; S70-V72 PolarHBondContact O-N 2.9Å; S70-S74 WeakPolarHBondContact O-CA 3.06Å; S70-S74 WeakPolarHBondContact O-CB 3.4Å; S70-S74 PolarHBondContact O-N 2.81Å; S70-S74 PolarHBondContact O-OG 3.24Å
71	S	49.5	Very low	46.4	Very low	46 Å²	46	104.7 Å²	104.7	32%	0.322	63%	0.628	S	S	.	*	H	α-helix	trans	-70.3	-31	-176.3	65	0	0	0	0	114.1	S67 A68 Q75	S67-S71 PolarHBondContact O-N 2.64Å; A68-S71 VanDerWaalsContact C-OG 3.28Å; A68-S71 WeakPolarHBondContact CA-OG 3.31Å; A68-S71 PolarHBondContact O-OG 3.06Å; S71-Q75 WeakPolarHBondContact O-CA 3.2Å; S71-Q75 WeakPolarHBondContact O-CB 3.47Å; S71-Q75 WeakPolarHBondContact O-CG 3.07Å; S71-Q75 PolarHBondContact O-N 3.28Å; S71-Q75 PolarHBondContact O-OE1 3.01Å
72	V	50.2	Low	46.6	Very low	92 Å²	92	105.3 Å²	105.3	56%	0.558	63%	0.63	S	S	*	*	H	α-helix	trans	-75.1	-44.8	-179.9	-177.3	0	0	0	0	111	S70 Q75 L76	S70-V72 PolarHBondContact O-N 2.9Å; V72-Q75 PolarHBondContact O-N 3.19Å; V72-L76 PolarHBondContact O-N 2.76Å
73	L	53.4	Low	47.7	Very low	121 Å²	121	102 Å²	102	63%	0.634	60%	0.603	S	S	*	*	H	α-helix	trans	-65.8	-42.5	173.6	-130.7	171.2	0	0	0	110.3	Q75 L76 L77	L73-Q75 PolarHBondContact O-N 3.43Å; L73-L76 PolarHBondContact O-N 2.87Å; L73-L77 HydrophobicContact CD2-CD1 3.77Å; L73-L77 HydrophobicContact CD2-CG 4.2Å; L73-L77 WeakPolarHBondContact O-CB 3.37Å; L73-L77 WeakPolarHBondContact O-CD1 3.22Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.23Å
74	S	44.6	Very low	48.9	Very low	63 Å²	63	102.1 Å²	102.1	44%	0.441	60%	0.6	S	S	.	*	H	α-helix	trans	-66.1	-33.3	174.1	-58.5	0	0	0	0	112.6	S70 L77 S78	S70-S74 WeakPolarHBondContact O-CA 3.06Å; S70-S74 WeakPolarHBondContact O-CB 3.4Å; S70-S74 PolarHBondContact O-N 2.81Å; S70-S74 PolarHBondContact O-OG 3.24Å; S74-L77 CarbonylContact O-C 3.54Å; S74-L77 PolarHBondContact O-N 3.27Å; S74-S78 WeakPolarHBondContact O-CA 3.4Å; S74-S78 WeakPolarHBondContact O-CB 3.22Å; S74-S78 PolarHBondContact O-N 3.07Å
75	Q	49.3	Very low	49.8	Very low	131 Å²	131	103.3 Å²	103.3	61%	0.612	60%	0.603	S	S	*	*	H	α-helix	trans	-71.2	-40.3	177.1	-89.7	172.7	-42.4	0	0	111.7	S71 V72 L73 L77 S78 H79	S71-Q75 WeakPolarHBondContact O-CA 3.2Å; S71-Q75 WeakPolarHBondContact O-CB 3.47Å; S71-Q75 WeakPolarHBondContact O-CG 3.07Å; S71-Q75 PolarHBondContact O-N 3.28Å; S71-Q75 PolarHBondContact O-OE1 3.01Å; V72-Q75 PolarHBondContact O-N 3.19Å; L73-Q75 PolarHBondContact O-N 3.43Å; Q75-L77 VanDerWaalsContact C-N 3.3Å; Q75-S78 PolarHBondContact O-N 3.02Å; Q75-S78 VanDerWaalsContact O-N 3.16Å; Q75-H79 PolarHBondContact O-N 2.92Å; Q75-H79 VanDerWaalsContact O-N 3.15Å
76	L	52.5	Low	50.7	Low	120 Å²	120	104.8 Å²	104.8	63%	0.628	60%	0.595	S	S	*	*	H	α-helix	trans	-66.3	-36.5	175.7	-137.9	155.5	0	0	0	110.9	V72 L73	V72-L76 PolarHBondContact O-N 2.76Å; L73-L76 PolarHBondContact O-N 2.87Å
77	L	53.4	Low	51.9	Low	62 Å²	62	98.6 Å²	98.6	33%	0.325	57%	0.571	S	S	.	*	H	α-helix	trans	-74.3	-25.1	171.1	-66.6	168.1	0	0	0	113.3	L73 S74 Q75 L83 L88	L73-L77 HydrophobicContact CD2-CD1 3.77Å; L73-L77 HydrophobicContact CD2-CG 4.2Å; L73-L77 WeakPolarHBondContact O-CB 3.37Å; L73-L77 WeakPolarHBondContact O-CD1 3.22Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.23Å; S74-L77 CarbonylContact O-C 3.54Å; S74-L77 PolarHBondContact O-N 3.27Å; Q75-L77 VanDerWaalsContact C-N 3.3Å; L77-L83 HydrophobicContact CD2-CB 4.26Å; L77-L88 HydrophobicContact CD2-CD1 4.17Å
78	S	48.3	Very low	53.5	Low	99 Å²	99	98.3 Å²	98.3	69%	0.692	56%	0.564	S	S	*	*	H	α-helix	trans	-81.6	-25	-177.5	-160.2	0	0	0	0	112.9	S74 Q75	S74-S78 WeakPolarHBondContact O-CA 3.4Å; S74-S78 WeakPolarHBondContact O-CB 3.22Å; S74-S78 PolarHBondContact O-N 3.07Å; Q75-S78 PolarHBondContact O-N 3.02Å; Q75-S78 VanDerWaalsContact O-N 3.16Å
79	H	54	Low	55.1	Low	168 Å²	168	94.7 Å²	94.7	78%	0.778	53%	0.534	S	S	*	.	S	Bend	trans	-84.7	-14.2	179.2	-126.9	-78.6	0	0	0	113.4	Q75	Q75-H79 PolarHBondContact O-N 2.92Å; Q75-H79 VanDerWaalsContact O-N 3.15Å
80	N	50.8	Low	56.9	Low	90 Å²	90	93.7 Å²	93.7	48%	0.481	52%	0.523	S	S	.	.			trans	-129.7	84.1	179.6	-69.6	-60.1	0	0	0	109.8	V82 L83	N80-V82 PolarHBondContact O-N 3.38Å; N80-L83 HydrophobicContact CB-CD1 4.16Å; N80-L83 HydrophobicContact CB-CG 4.43Å; N80-L83 PolarHBondContact O-N 3.42Å
81	S	53.6	Low	58.7	Low	102 Å²	102	97.3 Å²	97.3	71%	0.713	53%	0.532	S	S	*	.	G	3₁₀ helix	trans	-57.2	-13.3	-177.7	53.2	0	0	0	0	115.2
82	V	54.3	Low	60.3	Low	123 Å²	123	99 Å²	99	75%	0.745	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-75.3	-23.7	177.4	-178.3	0	0	0	0	112.3	N80	N80-V82 PolarHBondContact O-N 3.38Å
83	L	55.8	Low	62	Low	46 Å²	46	99.2 Å²	99.2	24%	0.241	53%	0.534	C	S	.	.	G	3₁₀ helix	trans	-90.8	-0.8	-176.9	-65.3	178.4	0	0	0	113.9	L77 N80 T85 L88 L120	L77-L83 HydrophobicContact CD2-CB 4.26Å; N80-L83 HydrophobicContact CB-CD1 4.16Å; N80-L83 HydrophobicContact CB-CG 4.43Å; N80-L83 PolarHBondContact O-N 3.42Å; L83-T85 PolarHBondContact O-N 2.87Å; L83-L88 HydrophobicContact CB-CD1 4.08Å; L83-L88 HydrophobicContact CD1-CD1 4.03Å; L83-L88 HydrophobicContact CD2-CD1 4.1Å; L83-L88 HydrophobicContact CD2-CD2 3.89Å; L83-L88 HydrophobicContact CD2-CG 4.4Å; L83-L88 HydrophobicContact CG-CD1 4.27Å; L83-L120 HydrophobicContact CD2-CD2 4.33Å
84	K	56.2	Low	63.9	Low	176 Å²	176	96.5 Å²	96.5	77%	0.765	52%	0.523	S	S	*	.	S	Bend	trans	-70.2	-17.7	-171.5	-163.5	173.5	-179.3	-177.8	0	114
85	T	57.1	Low	66	Low	140 Å²	140	97.5 Å²	97.5	86%	0.859	53%	0.527	S	S	*	.	S	Bend	trans	-128.1	-0.1	-172.6	-24.7	0	0	0	0	113.3	L83	L83-T85 PolarHBondContact O-N 2.87Å
86	M	59.4	Low	67.9	Low	93 Å²	93	94.7 Å²	94.7	46%	0.458	52%	0.516	S	S	.	.	S	Bend	trans	-106.3	131.8	-175	-153.9	173	174.8	0	0	109.3	L88 L120	M86-L88 PolarHBondContact O-N 2.59Å; M86-L120 HydrophobicContact CE-CB 3.62Å; M86-L120 HydrophobicContact CE-CD1 4.35Å; M86-L120 WeakPolarHBondContact CE-O 3.45Å; M86-L120 HydrophobicContact SD-CB 4.19Å; M86-L120 HydrophobicContact SD-CD1 4.42Å
87	P	66.7	Low	69.7	Low	68 Å²	68	95.5 Å²	95.5	44%	0.442	52%	0.521	S	S	.	.			trans	-63.8	122.3	175.9	26.7	-32.4	0	0	0	109.1	L120	P87-L120 CarbonylContact O-C 3.44Å; P87-L120 VanDerWaalsContact O-O 3.09Å
88	L	74	Confident	71.4	Confident	63 Å²	63	101.6 Å²	101.6	33%	0.33	55%	0.548	S	S	.	.			trans	-102.7	122.2	175.1	-70.6	179.3	0	0	0	108.8	L77 L83 M86 L120	L77-L88 HydrophobicContact CD2-CD1 4.17Å; L83-L88 HydrophobicContact CB-CD1 4.08Å; L83-L88 HydrophobicContact CD1-CD1 4.03Å; L83-L88 HydrophobicContact CD2-CD1 4.1Å; L83-L88 HydrophobicContact CD2-CD2 3.89Å; L83-L88 HydrophobicContact CD2-CG 4.4Å; L83-L88 HydrophobicContact CG-CD1 4.27Å; M86-L88 PolarHBondContact O-N 2.59Å; L88-L120 HydrophobicContact CD2-CD2 3.24Å
89	C	81.3	Confident	73.4	Confident	4 Å²	4	98.4 Å²	98.4	3%	0.027	53%	0.525	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.9	176.5	171.1	0	0	0	0	109.4	L118 S119 D121 C125	C89-L118 CarbonylContact O-C 3.51Å; C89-L118 WeakPolarHBondContact O-CA 3.09Å; C89-S119 PolarHBondContact N-O 3.49Å; C89-S119 PolarHBondContact O-N 2.89Å; C89-D121 WeakPolarHBondContact CB-O 3.34Å; C89-C125 WeakPolarHBondContact CA-SG 3.13Å; C89-C125 HydrophobicContact CB-CB 3.92Å; C89-C125 WeakPolarHBondContact CB-SG 3.06Å; C89-C125 VanDerWaalsContact SG-CA 3.5Å; C89-C125 WeakPolarHBondContact SG-CB 3.14Å; C89-C125 PolarHBondContact SG-N 3.24Å; C89-C125 VanDerWaalsContact SG-N 3.38Å; C89-C125 CovalentContact SG-SG 2.02Å; C89-C125 PolarHBondContact SG-SG 3.38Å
90	I	84.4	Confident	75.2	Confident	104 Å²	104	92.1 Å²	92.1	53%	0.533	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	114.2	172.6	-57.3	172.5	0	0	0	107	I93 L118	I90-I93 HydrophobicContact CG2-CD1 4.08Å; I90-I93 HydrophobicContact CG2-CG1 3.87Å; I90-L118 HydrophobicContact CB-CD2 4.34Å; I90-L118 HydrophobicContact CG1-CD2 3.71Å
91	K	83.8	Confident	77.1	Confident	133 Å²	133	95 Å²	95	58%	0.578	51%	0.51	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	-44.8	-176.2	-168.5	161.6	-169.3	150.4	0	112.1	F117 D124	K91-F117 PolarHBondContact N-O 3.35Å; K91-D124 IonicContact NZ-OD1 2.89Å; K91-D124 PolarHBondContact NZ-OD1 2.76Å
92	D	83.4	Confident	78.8	Confident	82 Å²	82	96.6 Å²	96.6	44%	0.439	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.9	178.8	-169.4	30.5	0	0	0	111.9	T94 F117	D92-T94 PolarHBondContact OD2-OG1 3.06Å; D92-F117 HydrophobicContact CB-CB 4.34Å; D92-F117 HydrophobicContact CB-CD2 4.16Å; D92-F117 PolarHBondContact N-O 3.45Å; D92-F117 PolarHBondContact O-N 2.76Å
93	I	86.6	Confident	80.4	Confident	95 Å²	95	94.3 Å²	94.3	49%	0.487	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	107.9	174.1	-56.3	171.6	0	0	0	107	I90 P95	I90-I93 HydrophobicContact CG2-CD1 4.08Å; I90-I93 HydrophobicContact CG2-CG1 3.87Å; I93-P95 VanDerWaalsContact O-CD 3.22Å; I93-P95 WeakPolarHBondContact O-CD 3.4Å
94	T	91.6	Very high	81.6	Confident	65 Å²	65	101.4 Å²	101.4	40%	0.399	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	101.2	179.7	-39.7	0	0	0	0	109.9	D92 A114 D115	D92-T94 PolarHBondContact OD2-OG1 3.06Å; T94-A114 WeakPolarHBondContact O-CA 3.41Å; T94-D115 PolarHBondContact N-O 2.96Å; T94-D115 PolarHBondContact O-N 2.85Å
95	P	89.5	Confident	82.7	Confident	83 Å²	83	100.5 Å²	100.5	54%	0.539	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.9	179.1	30.8	-34.6	0	0	0	112	I93 A114	I93-P95 VanDerWaalsContact O-CD 3.22Å; I93-P95 WeakPolarHBondContact O-CD 3.4Å; P95-A114 HydrophobicContact CB-CB 4.43Å
96	N	89.9	Confident	83.5	Confident	72 Å²	72	97.5 Å²	97.5	39%	0.385	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	97.1	174.3	-173	-35.7	0	0	0	110.6	Q98 S99 K113	N96-Q98 VanDerWaalsContact C-N 3.25Å; N96-Q98 PolarHBondContact O-N 3.39Å; N96-Q98 WeakPolarHBondContact OD1-CB 3.06Å; N96-Q98 PolarHBondContact OD1-N 2.02Å; N96-S99 PolarHBondContact O-N 3.18Å; N96-S99 PolarHBondContact O-OG 2.85Å; N96-S99 PolarHBondContact OD1-N 3.17Å; N96-S99 VanDerWaalsContact OD1-N 3.11Å; N96-K113 WeakPolarHBondContact CB-O 3Å; N96-K113 PolarHBondContact N-O 3.19Å
97	L	88.7	Confident	84.6	Confident	138 Å²	138	103.7 Å²	103.7	72%	0.723	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	-21.2	-179.1	-60.2	179.7	0	0	0	113.9	S99 C100	L97-S99 VanDerWaalsContact C-N 3.25Å; L97-S99 PolarHBondContact O-N 3.17Å; L97-C100 WeakPolarHBondContact O-CB 3.46Å; L97-C100 PolarHBondContact O-N 3.32Å; L97-C100 PolarHBondContact O-SG 3.38Å
98	Q	90.9	Very high	85.3	Confident	190 Å²	190	104.2 Å²	104.2	89%	0.888	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75	-20.4	176.7	-61.2	-178.3	-14.8	0	0	112	N96 C100	N96-Q98 VanDerWaalsContact C-N 3.25Å; N96-Q98 PolarHBondContact O-N 3.39Å; N96-Q98 WeakPolarHBondContact OD1-CB 3.06Å; N96-Q98 PolarHBondContact OD1-N 2.02Å; Q98-C100 VanDerWaalsContact C-N 3.3Å
99	S	89.8	Confident	85.9	Confident	32 Å²	32	102.9 Å²	102.9	22%	0.224	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	5.6	177.2	74.7	0	0	0	0	114.1	N96 L97 E101 K113	N96-S99 PolarHBondContact O-N 3.18Å; N96-S99 PolarHBondContact O-OG 2.85Å; N96-S99 PolarHBondContact OD1-N 3.17Å; N96-S99 VanDerWaalsContact OD1-N 3.11Å; L97-S99 VanDerWaalsContact C-N 3.25Å; L97-S99 PolarHBondContact O-N 3.17Å; S99-E101 PolarHBondContact O-N 3.24Å; S99-K113 WeakPolarHBondContact OG-CB 3.41Å; S99-K113 PolarHBondContact OG-N 3.01Å
100	C	90.9	Very high	86.3	Confident	35 Å²	35	107.8 Å²	107.8	24%	0.236	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.5	121.4	-176.8	-65.2	0	0	0	0	112.1	L97 Q98 L110 K111 C112	L97-C100 WeakPolarHBondContact O-CB 3.46Å; L97-C100 PolarHBondContact O-N 3.32Å; L97-C100 PolarHBondContact O-SG 3.38Å; Q98-C100 VanDerWaalsContact C-N 3.3Å; C100-L110 HydrophobicContact CB-CB 4.39Å; C100-K111 CarbonylContact C-O 3.55Å; C100-K111 VanDerWaalsContact CA-O 3.31Å; C100-K111 WeakPolarHBondContact CA-O 3.3Å; C100-C112 HydrophobicContact CB-CB 4.13Å; C100-C112 WeakPolarHBondContact CB-SG 3.36Å; C100-C112 WeakPolarHBondContact SG-CB 3.49Å; C100-C112 CovalentContact SG-SG 2.02Å; C100-C112 PolarHBondContact SG-SG 2.76Å
101	E	91.4	Very high	86.7	Confident	151 Å²	151	109.5 Å²	109.5	71%	0.706	57%	0.57	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.9	149.3	173.9	-66.4	177.3	-177.1	0	0	110.5	S99 F103 L110 K111	S99-E101 PolarHBondContact O-N 3.24Å; E101-F103 PolarHBondContact O-N 3.01Å; E101-L110 CarbonylContact O-C 3.58Å; E101-L110 WeakPolarHBondContact O-CA 2.99Å; E101-K111 PolarHBondContact N-O 3.25Å; E101-K111 PolarHBondContact O-N 3.25Å
102	L	88.4	Confident	87.1	Confident	135 Å²	135	105.9 Å²	105.9	71%	0.707	56%	0.56	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-63.1	121.9	175.9	-84.9	168.6	0	0	0	110.5	L110	L102-L110 HydrophobicContact CD2-CD2 3.76Å; L102-L110 HydrophobicContact CG-CD2 3.98Å
103	F	88.3	Confident	87.6	Confident	75 Å²	75	109.6 Å²	109.6	33%	0.329	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.4	110.1	-178.6	-169.5	-116.7	0	0	0	109.5	E101 E105 S109 K111	E101-F103 PolarHBondContact O-N 3.01Å; F103-E105 HydrophobicContact CD1-CB 3.9Å; F103-E105 HydrophobicContact CE1-CB 3.43Å; F103-E105 VanDerWaalsContact CE1-CB 3.43Å; F103-E105 HydrophobicContact CE1-CG 4.34Å; F103-E105 WeakPolarHBondContact CE1-OE2 3.44Å; F103-E105 HydrophobicContact CZ-CB 3.86Å; F103-E105 WeakPolarHBondContact CZ-OE2 3.43Å; F103-E105 PolarHBondContact O-N 3.19Å; F103-E105 VanDerWaalsContact O-N 3.14Å; F103-S109 PolarHBondContact N-O 3.44Å; F103-K111 HydrophobicContact CB-CB 4.05Å; F103-K111 HydrophobicContact CD2-CB 4.05Å; F103-K111 HydrophobicContact CD2-CD 4.02Å; F103-K111 HydrophobicContact CE2-CD 4.24Å; F103-K111 HydrophobicContact CG-CB 4.27Å
104	Q	81.1	Confident	87.8	Confident	195 Å²	195	107.4 Å²	107.4	91%	0.911	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-11.9	-167.7	-62.5	-179.4	12.9	0	0	114.2
105	E	79.1	Confident	87.8	Confident	157 Å²	157	109.3 Å²	109.3	73%	0.734	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-25.2	-175.4	-158.6	169.4	-178.1	0	0	112.9	F103	F103-E105 HydrophobicContact CD1-CB 3.9Å; F103-E105 HydrophobicContact CE1-CB 3.43Å; F103-E105 VanDerWaalsContact CE1-CB 3.43Å; F103-E105 HydrophobicContact CE1-CG 4.34Å; F103-E105 WeakPolarHBondContact CE1-OE2 3.44Å; F103-E105 HydrophobicContact CZ-CB 3.86Å; F103-E105 WeakPolarHBondContact CZ-OE2 3.43Å; F103-E105 PolarHBondContact O-N 3.19Å; F103-E105 VanDerWaalsContact O-N 3.14Å
106	T	73.8	Confident	87.8	Confident	77 Å²	77	110.4 Å²	110.4	47%	0.472	58%	0.576	S	S	.	*	S	Bend	trans	-134.1	120.4	178.7	35.1	0	0	0	0	110.1	G108 S109	T106-G108 PolarHBondContact O-N 2.61Å; T106-G108 VanDerWaalsContact O-N 3.09Å; T106-S109 PolarHBondContact O-N 2.8Å; T106-S109 PolarHBondContact O-OG 3.49Å; T106-S109 VanDerWaalsContact O-OG 3.06Å; T106-S109 WeakPolarHBondContact OG1-CB 3.23Å; T106-S109 PolarHBondContact OG1-OG 2.87Å
107	K	82.5	Confident	87.6	Confident	223 Å²	223	112.2 Å²	112.2	97%	0.97	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	121.2	178.3	-88.3	-175	176.5	-179.4	0	110.1
108	G	81	Confident	87.5	Confident	80 Å²	80	110.4 Å²	110.4	83%	0.825	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.8	13.9	174.4	0	0	0	0	0	115.6	T106	T106-G108 PolarHBondContact O-N 2.61Å; T106-G108 VanDerWaalsContact O-N 3.09Å
109	S	88.4	Confident	87.1	Confident	34 Å²	34	102.4 Å²	102.4	24%	0.238	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	148.4	173.7	69.6	0	0	0	0	112.6	F103 T106	F103-S109 PolarHBondContact N-O 3.44Å; T106-S109 PolarHBondContact O-N 2.8Å; T106-S109 PolarHBondContact O-OG 3.49Å; T106-S109 VanDerWaalsContact O-OG 3.06Å; T106-S109 WeakPolarHBondContact OG1-CB 3.23Å; T106-S109 PolarHBondContact OG1-OG 2.87Å
110	L	89.4	Confident	86.8	Confident	108 Å²	108	105.1 Å²	105.1	57%	0.565	55%	0.548	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.3	131	176.6	-66.8	166	0	0	0	108.3	C100 E101 L102	C100-L110 HydrophobicContact CB-CB 4.39Å; E101-L110 CarbonylContact O-C 3.58Å; E101-L110 WeakPolarHBondContact O-CA 2.99Å; L102-L110 HydrophobicContact CD2-CD2 3.76Å; L102-L110 HydrophobicContact CG-CD2 3.98Å
111	K	91.3	Very high	86.1	Confident	140 Å²	140	107.3 Å²	107.3	61%	0.609	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.6	117.2	172.7	178.8	178.6	179.4	178.8	0	108.4	C100 E101 F103	C100-K111 CarbonylContact C-O 3.55Å; C100-K111 VanDerWaalsContact CA-O 3.31Å; C100-K111 WeakPolarHBondContact CA-O 3.3Å; E101-K111 PolarHBondContact N-O 3.25Å; E101-K111 PolarHBondContact O-N 3.25Å; F103-K111 HydrophobicContact CB-CB 4.05Å; F103-K111 HydrophobicContact CD2-CB 4.05Å; F103-K111 HydrophobicContact CD2-CD 4.02Å; F103-K111 HydrophobicContact CE2-CD 4.24Å; F103-K111 HydrophobicContact CG-CB 4.27Å
112	C	92.5	Very high	85.1	Confident	56 Å²	56	103 Å²	103	38%	0.378	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.4	179.5	-45.1	0	0	0	0	110.3	C100	C100-C112 HydrophobicContact CB-CB 4.13Å; C100-C112 WeakPolarHBondContact CB-SG 3.36Å; C100-C112 WeakPolarHBondContact SG-CB 3.49Å; C100-C112 CovalentContact SG-SG 2.02Å; C100-C112 PolarHBondContact SG-SG 2.76Å
113	K	93.2	Very high	84.6	Confident	161 Å²	161	99.4 Å²	99.4	70%	0.7	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	148.5	169	-60.2	-177.9	179.8	178.4	0	109.8	N96 S99	N96-K113 WeakPolarHBondContact CB-O 3Å; N96-K113 PolarHBondContact N-O 3.19Å; S99-K113 WeakPolarHBondContact OG-CB 3.41Å; S99-K113 PolarHBondContact OG-N 3.01Å
114	A	92.5	Very high	84	Confident	48 Å²	48	98.8 Å²	98.8	40%	0.397	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	144.7	174.7	0	0	0	0	0	109	T94 P95	T94-A114 WeakPolarHBondContact O-CA 3.41Å; P95-A114 HydrophobicContact CB-CB 4.43Å
115	D	91.3	Very high	83.6	Confident	106 Å²	106	93.2 Å²	93.2	57%	0.567	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	131.2	170.8	-64.1	-39.7	0	0	0	108.3	T94 F117	T94-D115 PolarHBondContact N-O 2.96Å; T94-D115 PolarHBondContact O-N 2.85Å; D115-F117 HydrophobicContact CB-CE2 4.24Å
116	I	88.3	Confident	83.4	Confident	105 Å²	105	93.8 Å²	93.8	54%	0.538	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.4	-176.4	-56.7	171.4	0	0	0	107.7	L118	I116-L118 HydrophobicContact CG2-CD2 3.99Å; I116-L118 HydrophobicContact CG2-CG 4.17Å
117	F	87	Confident	82.9	Confident	111 Å²	111	92.8 Å²	92.8	49%	0.487	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	119.4	177.6	-65.1	-83.3	0	0	0	110	K91 D92 D115	K91-F117 PolarHBondContact N-O 3.35Å; D92-F117 HydrophobicContact CB-CB 4.34Å; D92-F117 HydrophobicContact CB-CD2 4.16Å; D92-F117 PolarHBondContact N-O 3.45Å; D92-F117 PolarHBondContact O-N 2.76Å; D115-F117 HydrophobicContact CB-CE2 4.24Å
118	L	85.3	Confident	81.3	Confident	100 Å²	100	93.8 Å²	93.8	52%	0.524	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	130.4	-179.8	-59.1	169.9	0	0	0	108.8	C89 I90 I116	C89-L118 CarbonylContact O-C 3.51Å; C89-L118 WeakPolarHBondContact O-CA 3.09Å; I90-L118 HydrophobicContact CB-CD2 4.34Å; I90-L118 HydrophobicContact CG1-CD2 3.71Å; I116-L118 HydrophobicContact CG2-CD2 3.99Å; I116-L118 HydrophobicContact CG2-CG 4.17Å
119	S	82.8	Confident	81.3	Confident	21 Å²	21	94.5 Å²	94.5	15%	0.147	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	144.9	162.2	-170.2	0	0	0	0	110	C89 D121 D124	C89-S119 PolarHBondContact N-O 3.49Å; C89-S119 PolarHBondContact O-N 2.89Å; S119-D121 VanDerWaalsContact C-N 3.34Å; S119-D121 PolarHBondContact OG-N 3.02Å; S119-D124 WeakPolarHBondContact CB-OD2 3.37Å; S119-D124 PolarHBondContact OG-OD2 3.36Å
120	L	83.2	Confident	80.9	Confident	89 Å²	89	97.7 Å²	97.7	47%	0.466	54%	0.536	S	S	.	.	S	Bend	trans	-91.2	-4.2	173.8	-55.7	-179.2	0	0	0	111.9	L83 M86 P87 L88	L83-L120 HydrophobicContact CD2-CD2 4.33Å; M86-L120 HydrophobicContact CE-CB 3.62Å; M86-L120 HydrophobicContact CE-CD1 4.35Å; M86-L120 WeakPolarHBondContact CE-O 3.45Å; M86-L120 HydrophobicContact SD-CB 4.19Å; M86-L120 HydrophobicContact SD-CD1 4.42Å; P87-L120 CarbonylContact O-C 3.44Å; P87-L120 VanDerWaalsContact O-O 3.09Å; L88-L120 HydrophobicContact CD2-CD2 3.24Å
121	D	77	Confident	80.5	Confident	82 Å²	82	97.1 Å²	97.1	44%	0.439	53%	0.534	S	S	.	.			trans	-97.4	126.3	175.7	-163.3	-22.1	0	0	0	109.3	C89 S119 S123	C89-D121 WeakPolarHBondContact CB-O 3.34Å; S119-D121 VanDerWaalsContact C-N 3.34Å; S119-D121 PolarHBondContact OG-N 3.02Å; D121-S123 PolarHBondContact O-N 3.15Å; D121-S123 PolarHBondContact OD1-N 3.16Å; D121-S123 PolarHBondContact OD1-OG 3.47Å; D121-S123 PolarHBondContact OD2-OG 3.44Å
122	S	70.9	Confident	79.8	Confident	59 Å²	59	94.6 Å²	94.6	41%	0.413	53%	0.53	S	S	.	.	S	Bend	trans	-65.7	-29.4	175.7	39.8	0	0	0	0	112.6	D124 C125	S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact O-N 2.7Å; S122-C125 PolarHBondContact O-N 3.05Å; S122-C125 VanDerWaalsContact O-N 3.17Å
123	S	78.8	Confident	79	Confident	60 Å²	60	97 Å²	97	42%	0.42	54%	0.539	S	S	.	.	G	3₁₀ helix	trans	-70.9	-23.1	-174.9	63.3	0	0	0	0	112.8	D121 C125 E126	D121-S123 PolarHBondContact O-N 3.15Å; D121-S123 PolarHBondContact OD1-N 3.16Å; D121-S123 PolarHBondContact OD1-OG 3.47Å; D121-S123 PolarHBondContact OD2-OG 3.44Å; S123-C125 PolarHBondContact O-N 2.94Å; S123-E126 PolarHBondContact O-N 3.12Å
124	D	75.5	Confident	78.1	Confident	63 Å²	63	92.7 Å²	92.7	34%	0.337	53%	0.528	S	S	.	.	G	3₁₀ helix	trans	-61.8	-21	172.1	-90.2	-64.4	0	0	0	112.7	K91 S119 S122	K91-D124 IonicContact NZ-OD1 2.89Å; K91-D124 PolarHBondContact NZ-OD1 2.76Å; S119-D124 WeakPolarHBondContact CB-OD2 3.37Å; S119-D124 PolarHBondContact OG-OD2 3.36Å; S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact O-N 2.7Å
125	C	72.2	Confident	77.1	Confident	78 Å²	78	95.9 Å²	95.9	53%	0.527	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-93.2	-0.7	177.2	-90.3	0	0	0	0	113.2	C89 S122 S123	C89-C125 WeakPolarHBondContact CA-SG 3.13Å; C89-C125 HydrophobicContact CB-CB 3.92Å; C89-C125 WeakPolarHBondContact CB-SG 3.06Å; C89-C125 VanDerWaalsContact SG-CA 3.5Å; C89-C125 WeakPolarHBondContact SG-CB 3.14Å; C89-C125 PolarHBondContact SG-N 3.24Å; C89-C125 VanDerWaalsContact SG-N 3.38Å; C89-C125 CovalentContact SG-SG 2.02Å; C89-C125 PolarHBondContact SG-SG 3.38Å; S122-C125 PolarHBondContact O-N 3.05Å; S122-C125 VanDerWaalsContact O-N 3.17Å; S123-C125 PolarHBondContact O-N 2.94Å
126	E	73.9	Confident	76	Confident	169 Å²	169	95.2 Å²	95.2	79%	0.79	54%	0.536	S	S	*	.	S	Bend	trans	-95.4	0.1	-178.7	-86.2	176.2	114.2	0	0	114.1	S123	S123-E126 PolarHBondContact O-N 3.12Å
127	G	64.4	Low	74.9	Confident	55 Å²	55	94.3 Å²	94.3	57%	0.567	54%	0.535	S	S	*	.			trans	-134.8	132.9	168.6	0	0	0	0	0	110.2
128	D	48.3	Very low	73.8	Confident	245 Å²	245	92.8 Å²	92.8	100%	1.31	54%	0.54	S	S	*	.			cis	-136.8	0	38.2	-126.2	-80.1	0	0	0	111.1

Retrieved 128 of 128 residues in 54 ms (Link to these results)

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