X2JGZ5_DROME Loading...

Ecdysone-dependent gene 78E, isoform B

AlphaFold DB (P27779), UniProt , Accession X2JGZ5, Species DROME (Drosophila melanogaster, Fruit fly), Gene Edg78E, Length 122 aa.

						>X2JGZ5_DROME|X2JGZ5|Edg78E
MYKYLFCLALIGCACADNINKDAQIRSFQNDATDAEGNYQYAYETSNGIQIQEAGNANGARGAVAYVSPEGEHISLTYTADEEGYHPVGDHLPTPPPVPAYVLRALEYIRTHPPAPAQKEQQ
					

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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	58.9	Low	60.6	Low	210 Å²	210	144.3 Å²	144.3	100%	1.034	70%	0.702	S	S	*	*				0	-17.5	0	-106.7	164.1	115.2	0	0	114.6	K3	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.17Å
2	Y	62.1	Low	60.2	Low	202 Å²	202	136.3 Å²	136.3	79%	0.792	69%	0.685	S	S	*	*	H	α-helix	trans	-72.3	-18.1	179.8	-53.9	-75.4	0	0	0	115.8	Y4 L5 F6	Y2-Y4 VanDerWaalsContact C-N 3.32Å; Y2-Y4 PolarHBondContact O-N 3.28Å; Y2-L5 WeakPolarHBondContact O-CB 3.43Å; Y2-L5 PolarHBondContact O-N 3.47Å; Y2-L5 VanDerWaalsContact O-N 3.17Å; Y2-F6 PolarHBondContact O-N 3.38Å
3	K	58.9	Low	59.9	Low	177 Å²	177	133.7 Å²	133.7	77%	0.77	69%	0.686	S	S	*	*	H	α-helix	trans	-65.7	-32.4	-176.1	-166.1	166.3	169.4	174.6	0	113.2	M1	M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.17Å
4	Y	66.3	Low	59.4	Low	191 Å²	191	129.4 Å²	129.4	75%	0.749	68%	0.681	S	S	*	*	H	α-helix	trans	-77.7	-29	175	-60.2	-65.1	0	0	0	112.7	Y2 F6 C7 L8	Y2-Y4 VanDerWaalsContact C-N 3.32Å; Y2-Y4 PolarHBondContact O-N 3.28Å; Y4-F6 VanDerWaalsContact C-N 3.31Å; Y4-F6 PolarHBondContact O-N 3.38Å; Y4-C7 PolarHBondContact O-N 3.06Å; Y4-L8 PolarHBondContact O-N 3.39Å
5	L	61.9	Low	58.9	Low	135 Å²	135	127.1 Å²	127.1	71%	0.707	68%	0.678	S	S	*	*	H	α-helix	trans	-66.8	-35.5	177.9	-147.7	109.1	0	0	0	111.4	Y2 A9	Y2-L5 WeakPolarHBondContact O-CB 3.43Å; Y2-L5 PolarHBondContact O-N 3.47Å; Y2-L5 VanDerWaalsContact O-N 3.17Å; L5-A9 PolarHBondContact O-N 2.96Å
6	F	61.1	Low	58.7	Low	158 Å²	158	123.7 Å²	123.7	69%	0.693	67%	0.673	S	S	*	*	H	α-helix	trans	-67.5	-33	176.9	-125	-89.7	0	0	0	113.2	Y2 Y4 L10	Y2-F6 PolarHBondContact O-N 3.38Å; Y4-F6 VanDerWaalsContact C-N 3.31Å; Y4-F6 PolarHBondContact O-N 3.38Å; F6-L10 PolarHBondContact O-N 3.09Å
7	C	61.7	Low	58.7	Low	71 Å²	71	125 Å²	125	48%	0.48	68%	0.679	S	S	.	*	H	α-helix	trans	-72.8	-34.3	179	-65.1	0	0	0	0	112.7	Y4 L10 I11	Y4-C7 PolarHBondContact O-N 3.06Å; C7-L10 PolarHBondContact O-N 2.96Å; C7-I11 WeakPolarHBondContact O-CG1 3.47Å; C7-I11 PolarHBondContact O-N 3.48Å
8	L	60.7	Low	58.9	Low	137 Å²	137	122.2 Å²	122.2	72%	0.717	66%	0.664	S	S	*	*	H	α-helix	trans	-72.2	-33.5	-179.9	-138.4	147.5	0	0	0	111.6	Y4 G12	Y4-L8 PolarHBondContact O-N 3.39Å; L8-G12 PolarHBondContact O-N 2.93Å
9	A	59.5	Low	59.7	Low	64 Å²	64	121.3 Å²	121.3	53%	0.529	66%	0.657	S	S	.	*	H	α-helix	trans	-65.3	-38.9	172	0	0	0	0	0	112.7	L5 G12 C13	L5-A9 PolarHBondContact O-N 2.96Å; A9-G12 PolarHBondContact O-N 3.42Å; A9-C13 PolarHBondContact O-N 3.38Å
10	L	57.8	Low	60.7	Low	120 Å²	120	121 Å²	121	63%	0.628	66%	0.655	S	S	*	*	H	α-helix	trans	-69.8	-34	178.9	-80.7	164.7	0	0	0	113.4	F6 C7	F6-L10 PolarHBondContact O-N 3.09Å; C7-L10 PolarHBondContact O-N 2.96Å
11	I	57.4	Low	61.7	Low	122 Å²	122	122.1 Å²	122.1	63%	0.626	65%	0.654	S	S	*	*	H	α-helix	trans	-70.7	-35.5	175.8	-65.7	167.5	0	0	0	110.5	C7 C13 A14 C15	C7-I11 WeakPolarHBondContact O-CG1 3.47Å; C7-I11 PolarHBondContact O-N 3.48Å; I11-C13 PolarHBondContact O-N 3.37Å; I11-A14 PolarHBondContact O-N 3.41Å; I11-C15 PolarHBondContact O-SG 3.44Å
12	G	56.4	Low	63	Low	48 Å²	48	116.1 Å²	116.1	50%	0.495	63%	0.626	S	S	.	*	H	α-helix	trans	-63.8	-36.4	177.4	0	0	0	0	0	114.4	L8 A9 A14	L8-G12 PolarHBondContact O-N 2.93Å; A9-G12 PolarHBondContact O-N 3.42Å; G12-A14 PolarHBondContact O-N 3.34Å
13	C	56.6	Low	64.4	Low	103 Å²	103	108.4 Å²	108.4	70%	0.696	60%	0.604	S	S	*	*	H	α-helix	trans	-71.2	-26.1	179.3	-73.2	0	0	0	0	113.8	A9 I11 C15	A9-C13 PolarHBondContact O-N 3.38Å; I11-C13 PolarHBondContact O-N 3.37Å; C13-C15 VanDerWaalsContact C-N 3.33Å; C13-C15 PolarHBondContact O-N 3.41Å
14	A	52.9	Low	66.2	Low	74 Å²	74	106.8 Å²	106.8	61%	0.612	60%	0.599	S	S	*	*	H	α-helix	trans	-75.9	-18.4	-179.3	0	0	0	0	0	113.8	I11 G12	I11-A14 PolarHBondContact O-N 3.41Å; G12-A14 PolarHBondContact O-N 3.34Å
15	C	51.5	Low	67.6	Low	95 Å²	95	103 Å²	103	64%	0.642	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.2	-13.5	-174.6	-50.9	0	0	0	0	114.3	I11 C13	I11-C15 PolarHBondContact O-SG 3.44Å; C13-C15 VanDerWaalsContact C-N 3.33Å; C13-C15 PolarHBondContact O-N 3.41Å
16	A	55.7	Low	69.3	Low	72 Å²	72	105.4 Å²	105.4	60%	0.595	59%	0.59	S	S	*	*	S	Bend	trans	-88	-17.4	-168.8	0	0	0	0	0	114.6	N18	A16-N18 PolarHBondContact O-N 2.92Å
17	D	58.4	Low	71	Confident	146 Å²	146	99.9 Å²	99.9	78%	0.781	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-0.9	-158.9	-127.4	-7.7	0	0	0	116
18	N	62.5	Low	72.7	Confident	75 Å²	75	102.5 Å²	102.5	40%	0.401	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-119.7	-0.6	-169.2	-68.5	-75.2	0	0	0	115.9	A16 N20 K21 D22	A16-N18 PolarHBondContact O-N 2.92Å; N18-N20 PolarHBondContact O-N 3.36Å; N18-K21 PolarHBondContact O-N 2.92Å; N18-K21 VanDerWaalsContact OD1-CD 3.31Å; N18-K21 WeakPolarHBondContact OD1-CD 3.36Å; N18-K21 WeakPolarHBondContact OD1-CE 3.35Å; N18-D22 PolarHBondContact O-N 3.36Å
19	I	73.4	Confident	74.4	Confident	104 Å²	104	102.1 Å²	102.1	53%	0.533	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.9	-36.5	-173.5	-64.1	172	0	0	0	111.5	N47	I19-N47 HydrophobicContact CG2-CB 3.49Å; I19-N47 VanDerWaalsContact CG2-CB 3.49Å
20	N	79.5	Confident	76.2	Confident	115 Å²	115	103.9 Å²	103.9	62%	0.615	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-36.9	-178.5	-70.5	-29.6	0	0	0	114.1	N18 D22 A23 N47	N18-N20 PolarHBondContact O-N 3.36Å; N20-D22 VanDerWaalsContact C-N 3.32Å; N20-D22 PolarHBondContact O-N 3Å; N20-A23 WeakPolarHBondContact O-CB 3.47Å; N20-A23 PolarHBondContact O-N 3.14Å; N20-N47 PolarHBondContact OD1-ND2 3.35Å
21	K	83.5	Confident	78	Confident	145 Å²	145	102.1 Å²	102.1	63%	0.63	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-32.8	-177.1	94.6	174.6	-179.1	62.2	0	112.2	N18	N18-K21 PolarHBondContact O-N 2.92Å; N18-K21 VanDerWaalsContact OD1-CD 3.31Å; N18-K21 WeakPolarHBondContact OD1-CD 3.36Å; N18-K21 WeakPolarHBondContact OD1-CE 3.35Å
22	D	86.2	Confident	79.7	Confident	85 Å²	85	101 Å²	101	46%	0.455	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.7	20.1	-177.2	-63.6	-45.3	0	0	0	111.5	N18 N20 Q24	N18-D22 PolarHBondContact O-N 3.36Å; N20-D22 VanDerWaalsContact C-N 3.32Å; N20-D22 PolarHBondContact O-N 3Å; D22-Q24 PolarHBondContact O-N 3.48Å
23	A	91.8	Very high	81.6	Confident	39 Å²	39	103 Å²	103	32%	0.322	57%	0.572	S	S	.	*			trans	-62.4	128.8	177.2	0	0	0	0	0	110.7	N20 S46 N47	N20-A23 WeakPolarHBondContact O-CB 3.47Å; N20-A23 PolarHBondContact O-N 3.14Å; A23-S46 WeakPolarHBondContact CA-OG 3.37Å; A23-N47 HydrophobicContact CB-CB 4.06Å; A23-N47 WeakPolarHBondContact CB-OD1 3.31Å
24	Q	95.2	Very high	83.4	Confident	143 Å²	143	101.3 Å²	101.3	67%	0.668	56%	0.556	S	S	*	*			trans	-121.8	146.1	178.6	-62.4	179.4	2.8	0	0	109.9	D22 R26 T45 S46	D22-Q24 PolarHBondContact O-N 3.48Å; Q24-R26 PolarHBondContact O-N 2.92Å; Q24-T45 CarbonylContact O-C 3.54Å; Q24-T45 VanDerWaalsContact O-CA 3.25Å; Q24-T45 WeakPolarHBondContact O-CA 3.34Å; Q24-S46 PolarHBondContact N-OG 3.47Å; Q24-S46 PolarHBondContact O-N 2.69Å
25	I	96.4	Very high	85.5	Confident	111 Å²	111	102.6 Å²	102.6	57%	0.569	57%	0.567	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-64.8	121.9	171.4	-61.4	176.7	0	0	0	108.3	S27 F28 E44	I25-S27 VanDerWaalsContact CG2-O 3.25Å; I25-S27 WeakPolarHBondContact CG2-O 3.37Å; I25-F28 HydrophobicContact CG2-CB 3.96Å; I25-E44 CarbonylContact C-O 3.51Å; I25-E44 WeakPolarHBondContact CA-O 3.42Å
26	R	96.2	Very high	87.6	Confident	186 Å²	186	104.8 Å²	104.8	70%	0.702	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-91.4	-39.4	177.2	-76.6	-172.4	162.8	-179.1	1.9	112.3	Q24 E44	Q24-R26 PolarHBondContact O-N 2.92Å; R26-E44 PolarHBondContact N-O 3.41Å
27	S	97	Very high	89.5	Confident	43 Å²	43	102.9 Å²	102.9	30%	0.301	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.3	144.4	176.5	65.4	0	0	0	0	108.7	I25 Y43 E44	I25-S27 VanDerWaalsContact CG2-O 3.25Å; I25-S27 WeakPolarHBondContact CG2-O 3.37Å; S27-Y43 WeakPolarHBondContact O-CA 2.96Å; S27-Y43 WeakPolarHBondContact O-CB 3.38Å; S27-E44 PolarHBondContact N-O 3.23Å; S27-E44 PolarHBondContact O-N 3.47Å; S27-E44 VanDerWaalsContact OG-CB 3.31Å; S27-E44 WeakPolarHBondContact OG-CB 3.2Å; S27-E44 VanDerWaalsContact OG-CG 3.32Å; S27-E44 WeakPolarHBondContact OG-CG 3.36Å; S27-E44 PolarHBondContact OG-N 3.39Å
28	F	97.8	Very high	91.4	Very high	126 Å²	126	98.8 Å²	98.8	55%	0.553	53%	0.533	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.1	126.9	175.6	179.1	-100.6	0	0	0	108	I25 N30 A42	I25-F28 HydrophobicContact CG2-CB 3.96Å; F28-N30 HydrophobicContact CE1-CB 3.64Å; F28-N30 HydrophobicContact CE2-CB 4.44Å; F28-N30 HydrophobicContact CZ-CB 3.55Å; F28-A42 CarbonylContact C-O 3.59Å; F28-A42 WeakPolarHBondContact CA-O 3.37Å
29	Q	97.5	Very high	93	Very high	129 Å²	129	98.4 Å²	98.4	60%	0.603	53%	0.527	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.5	174.3	-66.1	178.5	-1	0	0	107	Y41 A42	Q29-Y41 CarbonylContact O-C 3.6Å; Q29-Y41 WeakPolarHBondContact O-CA 3.41Å; Q29-Y41 WeakPolarHBondContact O-CB 3.32Å; Q29-A42 PolarHBondContact N-O 3.38Å; Q29-A42 PolarHBondContact O-N 3.04Å; Q29-A42 VanDerWaalsContact O-O 3.08Å
30	N	97	Very high	94.2	Very high	100 Å²	100	98 Å²	98	54%	0.535	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	103.5	175.9	-177.7	15.1	0	0	0	106.8	F28	F28-N30 HydrophobicContact CE1-CB 3.64Å; F28-N30 HydrophobicContact CE2-CB 4.44Å; F28-N30 HydrophobicContact CZ-CB 3.55Å
31	D	94.4	Very high	95.1	Very high	84 Å²	84	95.6 Å²	95.6	45%	0.449	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	140.2	-176.9	-66.9	-27.3	0	0	0	109.3	T33 Q40	D31-T33 PolarHBondContact O-N 3.35Å; D31-Q40 PolarHBondContact N-O 3.44Å
32	A	93.7	Very high	95.8	Very high	97 Å²	97	89.8 Å²	89.8	80%	0.802	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-61	133.4	172.5	0	0	0	0	0	109	D34	A32-D34 PolarHBondContact O-N 2.99Å
33	T	96.1	Very high	96.4	Very high	90 Å²	90	89.1 Å²	89.1	55%	0.552	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-56.8	133.7	176.3	-50.5	0	0	0	0	110.4	D31 N38	D31-T33 PolarHBondContact O-N 3.35Å; T33-N38 VanDerWaalsContact CA-O 3.27Å; T33-N38 WeakPolarHBondContact CA-O 3.36Å; T33-N38 WeakPolarHBondContact CG2-O 3.47Å
34	D	95.7	Very high	96.7	Very high	68 Å²	68	91.3 Å²	91.3	36%	0.364	48%	0.48	S	S	.	.			trans	-78.3	179.2	177.5	67.3	18.1	0	0	0	112.7	A32 E36 G37 N38	A32-D34 PolarHBondContact O-N 2.99Å; D34-E36 PolarHBondContact O-N 3.37Å; D34-E36 WeakPolarHBondContact OD1-CA 3.39Å; D34-E36 WeakPolarHBondContact OD1-CB 3.48Å; D34-E36 PolarHBondContact OD1-N 3.06Å; D34-G37 PolarHBondContact O-N 3.22Å; D34-G37 VanDerWaalsContact O-N 3.15Å; D34-G37 PolarHBondContact OD1-N 3.26Å; D34-N38 PolarHBondContact N-O 2.67Å; D34-N38 VanDerWaalsContact N-O 3.16Å; D34-N38 WeakPolarHBondContact OD1-CB 3.23Å; D34-N38 PolarHBondContact OD1-N 2.78Å; D34-N38 PolarHBondContact OD1-ND2 3.29Å; D34-N38 WeakPolarHBondContact OD2-CB 3.44Å; D34-N38 PolarHBondContact OD2-ND2 2.9Å
35	A	95.9	Very high	96.8	Very high	101 Å²	101	85.4 Å²	85.4	84%	0.835	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.1	-178.8	0	0	0	0	0	112.5	G37	A35-G37 VanDerWaalsContact C-N 3.32Å
36	E	95.2	Very high	96.7	Very high	142 Å²	142	82 Å²	82	66%	0.664	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-6	178.1	-63.7	71	-149.3	0	0	112.7	D34	D34-E36 PolarHBondContact O-N 3.37Å; D34-E36 WeakPolarHBondContact OD1-CA 3.39Å; D34-E36 WeakPolarHBondContact OD1-CB 3.48Å; D34-E36 PolarHBondContact OD1-N 3.06Å
37	G	95.7	Very high	96.5	Very high	32 Å²	32	74.3 Å²	74.3	33%	0.33	41%	0.412	S	S	.	.			trans	84.6	13.5	179.6	0	0	0	0	0	114	D34 A35	D34-G37 PolarHBondContact O-N 3.22Å; D34-G37 VanDerWaalsContact O-N 3.15Å; D34-G37 PolarHBondContact OD1-N 3.26Å; A35-G37 VanDerWaalsContact C-N 3.32Å
38	N	97.9	Very high	96.3	Very high	59 Å²	59	73.6 Å²	73.6	32%	0.316	41%	0.412	S	S	.	.			trans	-74	134.1	173.5	-50.1	-65.7	0	0	0	109.5	T33 D34 G55 N56	T33-N38 VanDerWaalsContact CA-O 3.27Å; T33-N38 WeakPolarHBondContact CA-O 3.36Å; T33-N38 WeakPolarHBondContact CG2-O 3.47Å; D34-N38 PolarHBondContact N-O 2.67Å; D34-N38 VanDerWaalsContact N-O 3.16Å; D34-N38 WeakPolarHBondContact OD1-CB 3.23Å; D34-N38 PolarHBondContact OD1-N 2.78Å; D34-N38 PolarHBondContact OD1-ND2 3.29Å; D34-N38 WeakPolarHBondContact OD2-CB 3.44Å; D34-N38 PolarHBondContact OD2-ND2 2.9Å; N38-G55 CarbonylContact C-O 3.54Å; N38-G55 WeakPolarHBondContact CA-O 3.14Å; N38-N56 VanDerWaalsContact OD1-CB 3.27Å; N38-N56 WeakPolarHBondContact OD1-CB 3.44Å; N38-N56 PolarHBondContact OD1-ND2 3.02Å
39	Y	97.9	Very high	96.3	Very high	68 Å²	68	70.1 Å²	70.1	27%	0.267	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.4	174.8	73.5	-89.7	0	0	0	110.1	Y41 E53 A54 G55 A60	Y39-Y41 HydrophobicContact CD2-CD1 4.14Å; Y39-Y41 HydrophobicContact CD2-CE1 4.39Å; Y39-Y41 HydrophobicContact CE2-CD1 4.14Å; Y39-Y41 AromaticContact CE2-CE1 3.93Å; Y39-Y41 HydrophobicContact CE2-CE1 3.93Å; Y39-E53 HydrophobicContact CE2-CG 4.1Å; Y39-E53 VanDerWaalsContact CE2-OE1 3.24Å; Y39-E53 WeakPolarHBondContact CE2-OE1 3.48Å; Y39-E53 VanDerWaalsContact OH-CD 3.29Å; Y39-E53 PolarHBondContact OH-OE1 3.48Å; Y39-A54 VanDerWaalsContact O-CA 3.29Å; Y39-A54 WeakPolarHBondContact O-CA 3.39Å; Y39-G55 WeakPolarHBondContact CD1-O 3.33Å; Y39-G55 VanDerWaalsContact CE1-C 3.4Å; Y39-G55 PolarHBondContact N-O 2.98Å; Y39-G55 PolarHBondContact O-N 3.19Å; Y39-A60 WeakPolarHBondContact OH-CB 3.34Å
40	Q	98.1	Very high	96.3	Very high	96 Å²	96	68.7 Å²	68.7	45%	0.449	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	137.3	172.4	180	166.7	40	0	0	110.1	D31 E53 A54	D31-Q40 PolarHBondContact N-O 3.44Å; Q40-E53 WeakPolarHBondContact CA-O 3.5Å; Q40-A54 HydrophobicContact CB-CB 4.13Å; Q40-A54 HydrophobicContact CG-CB 4.08Å
41	Y	98.3	Very high	96.3	Very high	63 Å²	63	65.4 Å²	65.4	25%	0.247	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.6	168.7	68.5	-91.2	0	0	0	111	Q29 Y39 Y43 I51 Q52 E53	Q29-Y41 CarbonylContact O-C 3.6Å; Q29-Y41 WeakPolarHBondContact O-CA 3.41Å; Q29-Y41 WeakPolarHBondContact O-CB 3.32Å; Y39-Y41 HydrophobicContact CD2-CD1 4.14Å; Y39-Y41 HydrophobicContact CD2-CE1 4.39Å; Y39-Y41 HydrophobicContact CE2-CD1 4.14Å; Y39-Y41 AromaticContact CE2-CE1 3.93Å; Y39-Y41 HydrophobicContact CE2-CE1 3.93Å; Y41-Y43 HydrophobicContact CD2-CD1 4.34Å; Y41-Y43 HydrophobicContact CE2-CE1 4.3Å; Y41-I51 HydrophobicContact CE2-CG2 4.1Å; Y41-Q52 WeakPolarHBondContact O-CA 3.38Å; Y41-E53 HydrophobicContact CD1-CB 4.35Å; Y41-E53 HydrophobicContact CE1-CB 3.66Å; Y41-E53 HydrophobicContact CE1-CG 4.3Å; Y41-E53 WeakPolarHBondContact CE1-OE1 3.3Å; Y41-E53 HydrophobicContact CE2-CB 4.26Å; Y41-E53 PolarHBondContact N-O 3.41Å; Y41-E53 PolarHBondContact O-N 3.48Å; Y41-E53 PolarHBondContact OH-OE1 2.77Å
42	A	98.5	Very high	96.5	Very high	23 Å²	23	66.8 Å²	66.8	19%	0.19	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	145.5	173	0	0	0	0	0	110.3	F28 Q29 I51 Q52	F28-A42 CarbonylContact C-O 3.59Å; F28-A42 WeakPolarHBondContact CA-O 3.37Å; Q29-A42 PolarHBondContact N-O 3.38Å; Q29-A42 PolarHBondContact O-N 3.04Å; Q29-A42 VanDerWaalsContact O-O 3.08Å; A42-I51 CarbonylContact C-O 3.58Å; A42-I51 WeakPolarHBondContact CA-O 3.19Å; A42-Q52 HydrophobicContact CB-CB 3.81Å
43	Y	98.1	Very high	96.8	Very high	71 Å²	71	63.7 Å²	63.7	28%	0.278	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.4	170.7	66.4	-90.4	0	0	0	112.2	S27 Y41 T45 I51	S27-Y43 WeakPolarHBondContact O-CA 2.96Å; S27-Y43 WeakPolarHBondContact O-CB 3.38Å; Y41-Y43 HydrophobicContact CD2-CD1 4.34Å; Y41-Y43 HydrophobicContact CE2-CE1 4.3Å; Y43-T45 HydrophobicContact CD2-CG2 4.27Å; Y43-T45 HydrophobicContact CE2-CG2 4.39Å; Y43-I51 HydrophobicContact CD1-CB 4.2Å; Y43-I51 HydrophobicContact CD1-CG2 4.39Å; Y43-I51 HydrophobicContact CE1-CB 3.73Å; Y43-I51 HydrophobicContact CE1-CD1 4.28Å; Y43-I51 HydrophobicContact CE1-CG2 3.75Å; Y43-I51 HydrophobicContact CE2-CB 4.23Å; Y43-I51 HydrophobicContact CE2-CD1 4.03Å; Y43-I51 HydrophobicContact CE2-CG1 4.49Å; Y43-I51 PolarHBondContact N-O 3.24Å; Y43-I51 PolarHBondContact O-N 3.2Å; Y43-I51 WeakPolarHBondContact OH-CD1 3.47Å
44	E	98	Very high	96.9	Very high	86 Å²	86	61.2 Å²	61.2	40%	0.402	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	149.3	174.9	-57.8	177	-168.9	0	0	110	I25 R26 S27 I49 Q50	I25-E44 CarbonylContact C-O 3.51Å; I25-E44 WeakPolarHBondContact CA-O 3.42Å; R26-E44 PolarHBondContact N-O 3.41Å; S27-E44 PolarHBondContact N-O 3.23Å; S27-E44 PolarHBondContact O-N 3.47Å; S27-E44 VanDerWaalsContact OG-CB 3.31Å; S27-E44 WeakPolarHBondContact OG-CB 3.2Å; S27-E44 VanDerWaalsContact OG-CG 3.32Å; S27-E44 WeakPolarHBondContact OG-CG 3.36Å; S27-E44 PolarHBondContact OG-N 3.39Å; E44-I49 CarbonylContact C-O 3.54Å; E44-I49 WeakPolarHBondContact CA-O 3.38Å; E44-Q50 HydrophobicContact CG-CB 4.32Å; E44-Q50 HydrophobicContact CG-CG 4.03Å
45	T	97.1	Very high	97	Very high	18 Å²	18	58.5 Å²	58.5	11%	0.11	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	158.3	-179.3	59.1	0	0	0	0	111	Q24 Y43 N47 G48 I49	Q24-T45 CarbonylContact O-C 3.54Å; Q24-T45 VanDerWaalsContact O-CA 3.25Å; Q24-T45 WeakPolarHBondContact O-CA 3.34Å; Y43-T45 HydrophobicContact CD2-CG2 4.27Å; Y43-T45 HydrophobicContact CE2-CG2 4.39Å; T45-N47 VanDerWaalsContact CB-OD1 3.23Å; T45-N47 WeakPolarHBondContact CB-OD1 3.35Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-N47 PolarHBondContact OG1-OD1 3.41Å; T45-G48 PolarHBondContact O-N 3.09Å; T45-I49 HydrophobicContact CG2-CB 4.23Å; T45-I49 PolarHBondContact N-O 2.89Å; T45-I49 WeakPolarHBondContact OG1-CA 3.31Å; T45-I49 WeakPolarHBondContact OG1-CB 3.44Å; T45-I49 PolarHBondContact OG1-N 3.48Å; T45-I49 PolarHBondContact OG1-O 3.26Å
46	S	94.3	Very high	97	Very high	41 Å²	41	56.5 Å²	56.5	29%	0.287	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-17.9	-178.6	61.5	0	0	0	0	114.4	A23 Q24 G48	A23-S46 WeakPolarHBondContact CA-OG 3.37Å; Q24-S46 PolarHBondContact N-OG 3.47Å; Q24-S46 PolarHBondContact O-N 2.69Å; S46-G48 VanDerWaalsContact C-N 3.34Å
47	N	92.6	Very high	97	Very high	24 Å²	24	54.5 Å²	54.5	13%	0.128	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	7.6	172.9	66.3	-33.1	0	0	0	113.7	I19 N20 A23 T45	I19-N47 HydrophobicContact CG2-CB 3.49Å; I19-N47 VanDerWaalsContact CG2-CB 3.49Å; N20-N47 PolarHBondContact OD1-ND2 3.35Å; A23-N47 HydrophobicContact CB-CB 4.06Å; A23-N47 WeakPolarHBondContact CB-OD1 3.31Å; T45-N47 VanDerWaalsContact CB-OD1 3.23Å; T45-N47 WeakPolarHBondContact CB-OD1 3.35Å; T45-N47 PolarHBondContact O-N 3.3Å; T45-N47 PolarHBondContact OG1-OD1 3.41Å
48	G	92.9	Very high	97	Very high	28 Å²	28	58.9 Å²	58.9	29%	0.289	32%	0.322	S	S	.	.	S	Bend	trans	89.7	9.3	172.6	0	0	0	0	0	115.3	T45 S46 Q50	T45-G48 PolarHBondContact O-N 3.09Å; S46-G48 VanDerWaalsContact C-N 3.34Å; G48-Q50 PolarHBondContact O-N 3.12Å
49	I	96.5	Very high	96.9	Very high	52 Å²	52	57.4 Å²	57.4	27%	0.267	32%	0.321	S	S	.	.			trans	-70.1	127.3	166.3	-53.1	166.6	0	0	0	107.9	E44 T45 I51 A65	E44-I49 CarbonylContact C-O 3.54Å; E44-I49 WeakPolarHBondContact CA-O 3.38Å; T45-I49 HydrophobicContact CG2-CB 4.23Å; T45-I49 PolarHBondContact N-O 2.89Å; T45-I49 WeakPolarHBondContact OG1-CA 3.31Å; T45-I49 WeakPolarHBondContact OG1-CB 3.44Å; T45-I49 PolarHBondContact OG1-N 3.48Å; T45-I49 PolarHBondContact OG1-O 3.26Å; I49-I51 HydrophobicContact CG2-CD1 3.74Å; I49-I51 HydrophobicContact CG2-CG1 3.94Å; I49-A65 CarbonylContact C-O 3.45Å; I49-A65 VanDerWaalsContact CA-O 3.3Å; I49-A65 WeakPolarHBondContact CA-O 3.32Å
50	Q	98.1	Very high	96.9	Very high	100 Å²	100	54.8 Å²	54.8	47%	0.467	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.9	173	-52.4	180	11	0	0	107.9	E44 G48 V64 A65	E44-Q50 HydrophobicContact CG-CB 4.32Å; E44-Q50 HydrophobicContact CG-CG 4.03Å; G48-Q50 PolarHBondContact O-N 3.12Å; Q50-V64 CarbonylContact O-C 3.59Å; Q50-V64 WeakPolarHBondContact O-CA 3.23Å; Q50-A65 HydrophobicContact CB-CB 4.32Å; Q50-A65 PolarHBondContact N-O 3.28Å; Q50-A65 PolarHBondContact O-N 3.21Å
51	I	98.2	Very high	96.9	Very high	31 Å²	31	58.6 Å²	58.6	16%	0.159	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.7	179.5	-70.8	169.7	0	0	0	108.1	Y41 A42 Y43 I49 A63 V64	Y41-I51 HydrophobicContact CE2-CG2 4.1Å; A42-I51 CarbonylContact C-O 3.58Å; A42-I51 WeakPolarHBondContact CA-O 3.19Å; Y43-I51 HydrophobicContact CD1-CB 4.2Å; Y43-I51 HydrophobicContact CD1-CG2 4.39Å; Y43-I51 HydrophobicContact CE1-CB 3.73Å; Y43-I51 HydrophobicContact CE1-CD1 4.28Å; Y43-I51 HydrophobicContact CE1-CG2 3.75Å; Y43-I51 HydrophobicContact CE2-CB 4.23Å; Y43-I51 HydrophobicContact CE2-CD1 4.03Å; Y43-I51 HydrophobicContact CE2-CG1 4.49Å; Y43-I51 PolarHBondContact N-O 3.24Å; Y43-I51 PolarHBondContact O-N 3.2Å; Y43-I51 WeakPolarHBondContact OH-CD1 3.47Å; I49-I51 HydrophobicContact CG2-CD1 3.74Å; I49-I51 HydrophobicContact CG2-CG1 3.94Å; I51-A63 WeakPolarHBondContact CA-O 3.3Å; I51-V64 HydrophobicContact CD1-CG1 4.45Å; I51-V64 HydrophobicContact CG1-CB 4.47Å; I51-V64 HydrophobicContact CG1-CG1 4.04Å; I51-V64 HydrophobicContact CG1-CG2 4.25Å
52	Q	98.5	Very high	97	Very high	113 Å²	113	56 Å²	56	53%	0.528	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.6	170.2	56.6	175.3	73.5	0	0	110	Y41 A42 G62 A63	Y41-Q52 WeakPolarHBondContact O-CA 3.38Å; A42-Q52 HydrophobicContact CB-CB 3.81Å; Q52-G62 CarbonylContact O-C 3.6Å; Q52-G62 WeakPolarHBondContact O-CA 3.43Å; Q52-A63 HydrophobicContact CG-CB 3.8Å; Q52-A63 PolarHBondContact N-O 3.48Å; Q52-A63 PolarHBondContact O-N 2.83Å
53	E	98.4	Very high	97	Very high	32 Å²	32	56 Å²	56	15%	0.15	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142.1	174	-173.4	179.5	81.7	0	0	109.8	Y39 Q40 Y41 A60 R61 Y78	Y39-E53 HydrophobicContact CE2-CG 4.1Å; Y39-E53 VanDerWaalsContact CE2-OE1 3.24Å; Y39-E53 WeakPolarHBondContact CE2-OE1 3.48Å; Y39-E53 VanDerWaalsContact OH-CD 3.29Å; Y39-E53 PolarHBondContact OH-OE1 3.48Å; Q40-E53 WeakPolarHBondContact CA-O 3.5Å; Y41-E53 HydrophobicContact CD1-CB 4.35Å; Y41-E53 HydrophobicContact CE1-CB 3.66Å; Y41-E53 HydrophobicContact CE1-CG 4.3Å; Y41-E53 WeakPolarHBondContact CE1-OE1 3.3Å; Y41-E53 HydrophobicContact CE2-CB 4.26Å; Y41-E53 PolarHBondContact N-O 3.41Å; Y41-E53 PolarHBondContact O-N 3.48Å; Y41-E53 PolarHBondContact OH-OE1 2.77Å; E53-A60 HydrophobicContact CG-CB 4.23Å; E53-R61 CarbonylContact C-O 3.57Å; E53-R61 WeakPolarHBondContact CA-O 3.05Å; E53-Y78 PolarHBondContact OE2-OH 2.87Å
54	A	98.3	Very high	96.9	Very high	38 Å²	38	54.5 Å²	54.5	31%	0.314	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.6	167.1	0	0	0	0	0	109.3	Y39 Q40 A60 R61	Y39-A54 VanDerWaalsContact O-CA 3.29Å; Y39-A54 WeakPolarHBondContact O-CA 3.39Å; Q40-A54 HydrophobicContact CB-CB 4.13Å; Q40-A54 HydrophobicContact CG-CB 4.08Å; A54-A60 CarbonylContact O-C 3.51Å; A54-A60 WeakPolarHBondContact O-CA 3.31Å; A54-R61 PolarHBondContact N-O 3.29Å; A54-R61 PolarHBondContact O-N 2.78Å
55	G	97.8	Very high	96.9	Very high	11 Å²	11	51.5 Å²	51.5	11%	0.113	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	179	-176.5	0	0	0	0	0	113.5	N38 Y39 G59	N38-G55 CarbonylContact C-O 3.54Å; N38-G55 WeakPolarHBondContact CA-O 3.14Å; Y39-G55 WeakPolarHBondContact CD1-O 3.33Å; Y39-G55 VanDerWaalsContact CE1-C 3.4Å; Y39-G55 PolarHBondContact N-O 2.98Å; Y39-G55 PolarHBondContact O-N 3.19Å; G55-G59 CarbonylContact C-O 3.59Å; G55-G59 WeakPolarHBondContact CA-O 3.4Å
56	N	96.6	Very high	96.9	Very high	58 Å²	58	55.1 Å²	55.1	31%	0.31	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-165.2	174.1	62.8	33.3	0	0	0	109.9	N38 N58 G59	N38-N56 VanDerWaalsContact OD1-CB 3.27Å; N38-N56 WeakPolarHBondContact OD1-CB 3.44Å; N38-N56 PolarHBondContact OD1-ND2 3.02Å; N56-N58 PolarHBondContact O-N 2.93Å; N56-N58 VanDerWaalsContact O-N 3.1Å; N56-N58 WeakPolarHBondContact OD1-CB 3.41Å; N56-N58 PolarHBondContact OD1-N 3.32Å; N56-G59 PolarHBondContact N-O 3.42Å; N56-G59 PolarHBondContact O-N 3.05Å; N56-G59 VanDerWaalsContact O-O 3.11Å
57	A	94.9	Very high	96.8	Very high	101 Å²	101	55.8 Å²	55.8	84%	0.835	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.4	-179.8	0	0	0	0	0	115
58	N	95.4	Very high	96.8	Very high	124 Å²	124	55.2 Å²	55.2	66%	0.663	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-2.6	-177.7	-54.6	-58.7	0	0	0	113.2	N56	N56-N58 PolarHBondContact O-N 2.93Å; N56-N58 VanDerWaalsContact O-N 3.1Å; N56-N58 WeakPolarHBondContact OD1-CB 3.41Å; N56-N58 PolarHBondContact OD1-N 3.32Å
59	G	97.2	Very high	96.5	Very high	27 Å²	27	59.7 Å²	59.7	28%	0.278	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.1	-177.8	-178.9	0	0	0	0	0	114.1	G55 N56 A80	G55-G59 CarbonylContact C-O 3.59Å; G55-G59 WeakPolarHBondContact CA-O 3.4Å; N56-G59 PolarHBondContact N-O 3.42Å; N56-G59 PolarHBondContact O-N 3.05Å; N56-G59 VanDerWaalsContact O-O 3.11Å; G59-A80 CarbonylContact C-O 3.55Å; G59-A80 WeakPolarHBondContact CA-O 3.06Å
60	A	98	Very high	96.3	Very high	14 Å²	14	64.7 Å²	64.7	12%	0.116	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.2	-178.3	0	0	0	0	0	111.3	Y39 E53 A54 A80	Y39-A60 WeakPolarHBondContact OH-CB 3.34Å; E53-A60 HydrophobicContact CG-CB 4.23Å; A54-A60 CarbonylContact O-C 3.51Å; A54-A60 WeakPolarHBondContact O-CA 3.31Å; A60-A80 PolarHBondContact N-O 3.06Å; A60-A80 PolarHBondContact O-N 3.25Å
61	R	98.5	Very high	95.9	Very high	175 Å²	175	62.2 Å²	62.2	66%	0.66	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130	137.8	169.6	-63.2	-173.6	-178.3	103.9	3.2	108.8	E53 A54 Y78 T79	E53-R61 CarbonylContact C-O 3.57Å; E53-R61 WeakPolarHBondContact CA-O 3.05Å; A54-R61 PolarHBondContact N-O 3.29Å; A54-R61 PolarHBondContact O-N 2.78Å; R61-Y78 VanDerWaalsContact CA-O 3.3Å; R61-Y78 WeakPolarHBondContact CA-O 3.37Å; R61-T79 HydrophobicContact CG-CG2 4.1Å
62	G	98.4	Very high	95.7	Very high	9 Å²	9	66.6 Å²	66.6	9%	0.093	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	170.5	178.8	0	0	0	0	0	113.3	Q52 T77 Y78	Q52-G62 CarbonylContact O-C 3.6Å; Q52-G62 WeakPolarHBondContact O-CA 3.43Å; G62-T77 CarbonylContact O-C 3.47Å; G62-T77 WeakPolarHBondContact O-CA 3.21Å; G62-Y78 VanDerWaalsContact CA-CZ 3.49Å; G62-Y78 PolarHBondContact N-O 2.82Å; G62-Y78 VanDerWaalsContact N-O 3.12Å; G62-Y78 PolarHBondContact O-N 2.82Å
63	A	98.6	Very high	95.5	Very high	23 Å²	23	68.6 Å²	68.6	19%	0.19	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.2	173.9	0	0	0	0	0	109.3	I51 Q52 L76 T77	I51-A63 WeakPolarHBondContact CA-O 3.3Å; Q52-A63 HydrophobicContact CG-CB 3.8Å; Q52-A63 PolarHBondContact N-O 3.48Å; Q52-A63 PolarHBondContact O-N 2.83Å; A63-L76 CarbonylContact C-O 3.53Å; A63-L76 VanDerWaalsContact CA-O 3.31Å; A63-L76 WeakPolarHBondContact CA-O 3.25Å; A63-T77 HydrophobicContact CB-CG2 4.04Å
64	V	97.9	Very high	95.4	Very high	39 Å²	39	67.8 Å²	67.8	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.9	178.3	-178.4	0	0	0	0	107.4	Q50 I51 Y66 S75 L76 Y78	Q50-V64 CarbonylContact O-C 3.59Å; Q50-V64 WeakPolarHBondContact O-CA 3.23Å; I51-V64 HydrophobicContact CD1-CG1 4.45Å; I51-V64 HydrophobicContact CG1-CB 4.47Å; I51-V64 HydrophobicContact CG1-CG1 4.04Å; I51-V64 HydrophobicContact CG1-CG2 4.25Å; V64-Y66 HydrophobicContact CG1-CD1 4.33Å; V64-S75 CarbonylContact O-C 3.48Å; V64-S75 WeakPolarHBondContact O-CA 3.06Å; V64-L76 PolarHBondContact N-O 2.84Å; V64-L76 PolarHBondContact O-N 2.94Å; V64-Y78 HydrophobicContact CG2-CE1 4.23Å
65	A	97.7	Very high	95.3	Very high	24 Å²	24	69.4 Å²	69.4	20%	0.198	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143.1	169.7	0	0	0	0	0	110.1	I49 Q50 I74	I49-A65 CarbonylContact C-O 3.45Å; I49-A65 VanDerWaalsContact CA-O 3.3Å; I49-A65 WeakPolarHBondContact CA-O 3.32Å; Q50-A65 HydrophobicContact CB-CB 4.32Å; Q50-A65 PolarHBondContact N-O 3.28Å; Q50-A65 PolarHBondContact O-N 3.21Å; A65-I74 CarbonylContact C-O 3.54Å; A65-I74 WeakPolarHBondContact CA-O 3.25Å
66	Y	95.5	Very high	95.3	Very high	94 Å²	94	70 Å²	70	37%	0.369	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	168.8	175.3	65	-84.7	0	0	0	110.4	V64 I74	V64-Y66 HydrophobicContact CG1-CD1 4.33Å; Y66-I74 HydrophobicContact CD1-CB 4.13Å; Y66-I74 HydrophobicContact CD1-CG2 4.28Å; Y66-I74 HydrophobicContact CD2-CB 4.36Å; Y66-I74 HydrophobicContact CE1-CB 3.73Å; Y66-I74 HydrophobicContact CE1-CG1 4.49Å; Y66-I74 HydrophobicContact CE1-CG2 3.53Å; Y66-I74 HydrophobicContact CE2-CB 3.98Å; Y66-I74 HydrophobicContact CE2-CG1 3.93Å; Y66-I74 HydrophobicContact CE2-CG2 4.45Å; Y66-I74 HydrophobicContact CG-CB 4.43Å; Y66-I74 PolarHBondContact N-O 2.94Å; Y66-I74 PolarHBondContact O-N 2.87Å
67	V	93.4	Very high	95.4	Very high	54 Å²	54	70.4 Å²	70.4	33%	0.327	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.2	171.8	-176.9	0	0	0	0	108.1	E72	V67-E72 CarbonylContact C-O 3.47Å; V67-E72 WeakPolarHBondContact CA-O 3.44Å
68	S	91.5	Very high	95.6	Very high	13 Å²	13	66.9 Å²	66.9	9%	0.091	37%	0.369	C	S	.	.			trans	-66.2	162.1	177.7	88.2	0	0	0	0	111.1	E70 G71 E72	S68-E70 VanDerWaalsContact CB-OE2 3.23Å; S68-E70 WeakPolarHBondContact CB-OE2 3.34Å; S68-E70 PolarHBondContact O-N 3.48Å; S68-E70 VanDerWaalsContact O-N 3.12Å; S68-E70 PolarHBondContact OG-N 3.32Å; S68-E70 PolarHBondContact OG-OE2 3.34Å; S68-G71 PolarHBondContact O-N 3.47Å; S68-E72 PolarHBondContact N-O 2.78Å; S68-E72 PolarHBondContact OG-N 2.73Å
69	P	88.5	Confident	95.7	Very high	122 Å²	122	63 Å²	63	79%	0.792	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-26.4	172.8	-25.9	35.8	0	0	0	114.1	G71	P69-G71 VanDerWaalsContact C-N 3.25Å; P69-G71 PolarHBondContact O-N 3.19Å
70	E	90.8	Very high	95.8	Very high	157 Å²	157	63.3 Å²	63.3	73%	0.734	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.6	176.8	-55.9	70	-150.1	0	0	112.9	S68	S68-E70 VanDerWaalsContact CB-OE2 3.23Å; S68-E70 WeakPolarHBondContact CB-OE2 3.34Å; S68-E70 PolarHBondContact O-N 3.48Å; S68-E70 VanDerWaalsContact O-N 3.12Å; S68-E70 PolarHBondContact OG-N 3.32Å; S68-E70 PolarHBondContact OG-OE2 3.34Å
71	G	90.5	Very high	95.7	Very high	48 Å²	48	65.6 Å²	65.6	50%	0.495	36%	0.36	S	S	.	.	S	Bend	trans	86.1	10.3	-178.1	0	0	0	0	0	114.3	S68 P69	S68-G71 PolarHBondContact O-N 3.47Å; P69-G71 VanDerWaalsContact C-N 3.25Å; P69-G71 PolarHBondContact O-N 3.19Å
72	E	92.6	Very high	95.6	Very high	122 Å²	122	66.3 Å²	66.3	57%	0.57	37%	0.371	S	S	*	.			trans	-82.6	134.9	179.3	-170.9	175.7	170.6	0	0	110.9	V67 S68 I74	V67-E72 CarbonylContact C-O 3.47Å; V67-E72 WeakPolarHBondContact CA-O 3.44Å; S68-E72 PolarHBondContact N-O 2.78Å; S68-E72 PolarHBondContact OG-N 2.73Å; E72-I74 HydrophobicContact CB-CD1 4.45Å; E72-I74 HydrophobicContact CG-CD1 4.08Å; E72-I74 PolarHBondContact O-N 2.95Å
73	H	94.4	Very high	95.5	Very high	156 Å²	156	74 Å²	74	72%	0.722	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.8	172.1	-78.6	-89.6	0	0	0	109.9
74	I	96.7	Very high	95.4	Very high	15 Å²	15	74.4 Å²	74.4	8%	0.077	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132	175	-56.3	-58.6	0	0	0	108.9	A65 Y66 E72 H91	A65-I74 CarbonylContact C-O 3.54Å; A65-I74 WeakPolarHBondContact CA-O 3.25Å; Y66-I74 HydrophobicContact CD1-CB 4.13Å; Y66-I74 HydrophobicContact CD1-CG2 4.28Å; Y66-I74 HydrophobicContact CD2-CB 4.36Å; Y66-I74 HydrophobicContact CE1-CB 3.73Å; Y66-I74 HydrophobicContact CE1-CG1 4.49Å; Y66-I74 HydrophobicContact CE1-CG2 3.53Å; Y66-I74 HydrophobicContact CE2-CB 3.98Å; Y66-I74 HydrophobicContact CE2-CG1 3.93Å; Y66-I74 HydrophobicContact CE2-CG2 4.45Å; Y66-I74 HydrophobicContact CG-CB 4.43Å; Y66-I74 PolarHBondContact N-O 2.94Å; Y66-I74 PolarHBondContact O-N 2.87Å; E72-I74 HydrophobicContact CB-CD1 4.45Å; E72-I74 HydrophobicContact CG-CD1 4.08Å; E72-I74 PolarHBondContact O-N 2.95Å; I74-H91 HydrophobicContact CD1-CB 4.23Å; I74-H91 VanDerWaalsContact CG2-CE1 3.44Å; I74-H91 WeakPolarHBondContact CG2-CE1 3.18Å
75	S	97.6	Very high	95.3	Very high	72 Å²	72	78.5 Å²	78.5	50%	0.503	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	139.9	172.5	-175.2	0	0	0	0	109.9	V64 H91	V64-S75 CarbonylContact O-C 3.48Å; V64-S75 WeakPolarHBondContact O-CA 3.06Å; S75-H91 PolarHBondContact O-CE1 2.86Å; S75-H91 PolarHBondContact O-ND1 2.96Å
76	L	97.8	Very high	95.3	Very high	24 Å²	24	81 Å²	81	13%	0.126	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	132.7	178	-173.5	141.3	0	0	0	108.9	A63 V64 Y78 Y85 P87 V88 L92	A63-L76 CarbonylContact C-O 3.53Å; A63-L76 VanDerWaalsContact CA-O 3.31Å; A63-L76 WeakPolarHBondContact CA-O 3.25Å; V64-L76 PolarHBondContact N-O 2.84Å; V64-L76 PolarHBondContact O-N 2.94Å; L76-Y78 HydrophobicContact CD2-CD1 3.82Å; L76-Y85 VanDerWaalsContact CD2-OH 3.31Å; L76-Y85 WeakPolarHBondContact CD2-OH 3.37Å; L76-P87 HydrophobicContact CD1-CB 4.1Å; L76-P87 HydrophobicContact CD2-CB 4.3Å; L76-P87 HydrophobicContact CG-CB 4.36Å; L76-V88 CarbonylContact C-O 3.54Å; L76-V88 WeakPolarHBondContact CA-O 3.45Å; L76-L92 HydrophobicContact CD1-CD1 4.24Å; L76-L92 HydrophobicContact CD1-CD2 4.03Å; L76-L92 HydrophobicContact CD1-CG 4.47Å
77	T	98.4	Very high	95.4	Very high	66 Å²	66	79 Å²	79	41%	0.405	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	158.4	164.2	63	0	0	0	0	109.4	G62 A63 P87 V88	G62-T77 CarbonylContact O-C 3.47Å; G62-T77 WeakPolarHBondContact O-CA 3.21Å; A63-T77 HydrophobicContact CB-CG2 4.04Å; T77-P87 CarbonylContact O-C 3.44Å; T77-P87 WeakPolarHBondContact O-CA 3.24Å; T77-V88 PolarHBondContact N-O 3.45Å; T77-V88 PolarHBondContact O-N 2.93Å
78	Y	98	Very high	95.5	Very high	27 Å²	27	81 Å²	81	11%	0.106	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	154.2	176.1	60.4	-92.7	0	0	0	112.6	E53 R61 G62 V64 L76 Y85 H86	E53-Y78 PolarHBondContact OE2-OH 2.87Å; R61-Y78 VanDerWaalsContact CA-O 3.3Å; R61-Y78 WeakPolarHBondContact CA-O 3.37Å; G62-Y78 VanDerWaalsContact CA-CZ 3.49Å; G62-Y78 PolarHBondContact N-O 2.82Å; G62-Y78 VanDerWaalsContact N-O 3.12Å; G62-Y78 PolarHBondContact O-N 2.82Å; V64-Y78 HydrophobicContact CG2-CE1 4.23Å; L76-Y78 HydrophobicContact CD2-CD1 3.82Å; Y78-Y85 WeakPolarHBondContact CB-OH 3.32Å; Y78-Y85 AromaticContact CD1-CE2 3.96Å; Y78-Y85 HydrophobicContact CD1-CE2 3.96Å; Y78-Y85 WeakPolarHBondContact CD1-OH 3.42Å; Y78-Y85 HydrophobicContact CD2-CD2 4.1Å; Y78-Y85 AromaticContact CD2-CE2 3.44Å; Y78-Y85 HydrophobicContact CD2-CE2 3.44Å; Y78-Y85 VanDerWaalsContact CD2-CE2 3.44Å; Y78-Y85 HydrophobicContact CE2-CE2 4.21Å; Y78-Y85 HydrophobicContact CG-CD2 4.24Å; Y78-Y85 AromaticContact CG-CE2 3.28Å; Y78-Y85 HydrophobicContact CG-CE2 3.28Å; Y78-Y85 AromaticContact CG-CZ 3.81Å; Y78-H86 WeakPolarHBondContact CA-O 3.21Å
79	T	98.4	Very high	95.8	Very high	43 Å²	43	81.1 Å²	81.1	26%	0.264	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.1	161.7	-61.7	0	0	0	0	108.2	R61 H86	R61-T79 HydrophobicContact CG-CG2 4.1Å; T79-H86 PolarHBondContact N-O 3.12Å; T79-H86 PolarHBondContact O-CD2 2.93Å; T79-H86 PolarHBondContact O-N 3.43Å
80	A	97.8	Very high	96	Very high	32 Å²	32	83.8 Å²	83.8	26%	0.264	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	118.7	169.8	0	0	0	0	0	108.4	G59 A60 G84 Y85	G59-A80 CarbonylContact C-O 3.55Å; G59-A80 WeakPolarHBondContact CA-O 3.06Å; A60-A80 PolarHBondContact N-O 3.06Å; A60-A80 PolarHBondContact O-N 3.25Å; A80-G84 WeakPolarHBondContact CA-O 3.31Å; A80-Y85 HydrophobicContact CB-CD2 4.49Å
81	D	96.7	Very high	96.1	Very high	63 Å²	63	80 Å²	80	34%	0.337	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-168.9	-179.7	58.5	35.2	0	0	0	111	E83 G84 H86	D81-E83 PolarHBondContact O-N 3.48Å; D81-E83 WeakPolarHBondContact OD1-CA 3.34Å; D81-E83 WeakPolarHBondContact OD1-CB 3.43Å; D81-E83 PolarHBondContact OD1-N 3.43Å; D81-G84 PolarHBondContact N-O 2.94Å; D81-G84 PolarHBondContact O-N 3.49Å; D81-G84 PolarHBondContact OD1-N 2.83Å; D81-H86 IonicContact OD1-CD2 2.78Å; D81-H86 IonicContact OD1-NE2 3.66Å; D81-H86 PolarHBondContact OD1-NE2 2.91Å; D81-H86 IonicContact OD2-CD2 3.55Å; D81-H86 PolarHBondContact OD2-CD2 3.18Å; D81-H86 IonicContact OD2-NE2 2.67Å; D81-H86 PolarHBondContact OD2-NE2 3.02Å
82	E	96.6	Very high	96.2	Very high	189 Å²	189	80 Å²	80	88%	0.883	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.4	179.7	-62.3	-175.2	166.7	0	0	113.5
83	E	96.6	Very high	96.3	Very high	171 Å²	171	80.4 Å²	80.4	80%	0.799	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.2	177.3	-59	-169.4	120.7	0	0	112.5	D81	D81-E83 PolarHBondContact O-N 3.48Å; D81-E83 WeakPolarHBondContact OD1-CA 3.34Å; D81-E83 WeakPolarHBondContact OD1-CB 3.43Å; D81-E83 PolarHBondContact OD1-N 3.43Å
84	G	96.4	Very high	96.1	Very high	32 Å²	32	79 Å²	79	33%	0.33	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	116.1	-149.4	174.4	0	0	0	0	0	113.6	A80 D81 H86	A80-G84 WeakPolarHBondContact CA-O 3.31Å; D81-G84 PolarHBondContact N-O 2.94Å; D81-G84 PolarHBondContact O-N 3.49Å; D81-G84 PolarHBondContact OD1-N 2.83Å; G84-H86 PolarHBondContact O-CD2 3.38Å
85	Y	96.6	Very high	95.7	Very high	124 Å²	124	83.5 Å²	83.5	49%	0.486	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	120.4	-176	179.7	-108.4	0	0	0	110.6	L76 Y78 A80 P87	L76-Y85 VanDerWaalsContact CD2-OH 3.31Å; L76-Y85 WeakPolarHBondContact CD2-OH 3.37Å; Y78-Y85 WeakPolarHBondContact CB-OH 3.32Å; Y78-Y85 AromaticContact CD1-CE2 3.96Å; Y78-Y85 HydrophobicContact CD1-CE2 3.96Å; Y78-Y85 WeakPolarHBondContact CD1-OH 3.42Å; Y78-Y85 HydrophobicContact CD2-CD2 4.1Å; Y78-Y85 AromaticContact CD2-CE2 3.44Å; Y78-Y85 HydrophobicContact CD2-CE2 3.44Å; Y78-Y85 VanDerWaalsContact CD2-CE2 3.44Å; Y78-Y85 HydrophobicContact CE2-CE2 4.21Å; Y78-Y85 HydrophobicContact CG-CD2 4.24Å; Y78-Y85 AromaticContact CG-CE2 3.28Å; Y78-Y85 HydrophobicContact CG-CE2 3.28Å; Y78-Y85 AromaticContact CG-CZ 3.81Å; A80-Y85 HydrophobicContact CB-CD2 4.49Å; Y85-P87 HydrophobicContact CD1-CB 4.2Å; Y85-P87 HydrophobicContact CD1-CG 3.86Å; Y85-P87 HydrophobicContact CE1-CB 3.49Å; Y85-P87 VanDerWaalsContact CE1-CB 3.49Å; Y85-P87 HydrophobicContact CE1-CG 3.58Å; Y85-P87 WeakPolarHBondContact O-CD 3.45Å
86	H	96.9	Very high	95.4	Very high	78 Å²	78	85.5 Å²	85.5	36%	0.361	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	84.4	-177	-53.2	-86.2	0	0	0	110.5	Y78 T79 D81 G84	Y78-H86 WeakPolarHBondContact CA-O 3.21Å; T79-H86 PolarHBondContact N-O 3.12Å; T79-H86 PolarHBondContact O-CD2 2.93Å; T79-H86 PolarHBondContact O-N 3.43Å; D81-H86 IonicContact OD1-CD2 2.78Å; D81-H86 IonicContact OD1-NE2 3.66Å; D81-H86 PolarHBondContact OD1-NE2 2.91Å; D81-H86 IonicContact OD2-CD2 3.55Å; D81-H86 PolarHBondContact OD2-CD2 3.18Å; D81-H86 IonicContact OD2-NE2 2.67Å; D81-H86 PolarHBondContact OD2-NE2 3.02Å; G84-H86 PolarHBondContact O-CD2 3.38Å
87	P	96.9	Very high	95.2	Very high	50 Å²	50	90 Å²	90	33%	0.325	51%	0.511	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	145.6	178.8	32.3	-33.3	0	0	0	112	L76 T77 Y85 L92	L76-P87 HydrophobicContact CD1-CB 4.1Å; L76-P87 HydrophobicContact CD2-CB 4.3Å; L76-P87 HydrophobicContact CG-CB 4.36Å; T77-P87 CarbonylContact O-C 3.44Å; T77-P87 WeakPolarHBondContact O-CA 3.24Å; Y85-P87 HydrophobicContact CD1-CB 4.2Å; Y85-P87 HydrophobicContact CD1-CG 3.86Å; Y85-P87 HydrophobicContact CE1-CB 3.49Å; Y85-P87 VanDerWaalsContact CE1-CB 3.49Å; Y85-P87 HydrophobicContact CE1-CG 3.58Å; Y85-P87 WeakPolarHBondContact O-CD 3.45Å; P87-L92 HydrophobicContact CB-CD1 3.77Å; P87-L92 HydrophobicContact CG-CD1 4.03Å
88	V	96.6	Very high	94.9	Very high	97 Å²	97	90.9 Å²	90.9	59%	0.588	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.9	174.4	-178.3	0	0	0	0	108.6	L76 T77	L76-V88 CarbonylContact C-O 3.54Å; L76-V88 WeakPolarHBondContact CA-O 3.45Å; T77-V88 PolarHBondContact N-O 3.45Å; T77-V88 PolarHBondContact O-N 2.93Å
89	G	96.2	Very high	94.8	Very high	16 Å²	16	92.7 Å²	92.7	17%	0.165	53%	0.53	C	S	.	.			trans	-173.8	145.8	176.2	0	0	0	0	0	110.7	H91 L92	G89-H91 PolarHBondContact O-N 2.8Å; G89-L92 VanDerWaalsContact O-CB 3.32Å; G89-L92 WeakPolarHBondContact O-CB 3.41Å; G89-L92 WeakPolarHBondContact O-CG 3.21Å; G89-L92 PolarHBondContact O-N 2.79Å
90	D	93.6	Very high	94.7	Very high	177 Å²	177	93.8 Å²	93.8	95%	0.947	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.8	-172.7	-64.7	-28.6	0	0	0	113.6	L92	D90-L92 VanDerWaalsContact C-N 3.3Å
91	H	91.9	Very high	94.6	Very high	78 Å²	78	99.4 Å²	99.4	36%	0.361	56%	0.559	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.9	-6.9	177.8	64.7	-73.4	0	0	0	113.3	I74 S75 G89	I74-H91 HydrophobicContact CD1-CB 4.23Å; I74-H91 VanDerWaalsContact CG2-CE1 3.44Å; I74-H91 WeakPolarHBondContact CG2-CE1 3.18Å; S75-H91 PolarHBondContact O-CE1 2.86Å; S75-H91 PolarHBondContact O-ND1 2.96Å; G89-H91 PolarHBondContact O-N 2.8Å
92	L	94.3	Very high	94.6	Very high	49 Å²	49	98.6 Å²	98.6	26%	0.257	56%	0.556	S	S	.	*	S	Bend	trans	-77.1	146.3	-179.7	-61	179.3	0	0	0	111	L76 P87 G89 D90 T94	L76-L92 HydrophobicContact CD1-CD1 4.24Å; L76-L92 HydrophobicContact CD1-CD2 4.03Å; L76-L92 HydrophobicContact CD1-CG 4.47Å; P87-L92 HydrophobicContact CB-CD1 3.77Å; P87-L92 HydrophobicContact CG-CD1 4.03Å; G89-L92 VanDerWaalsContact O-CB 3.32Å; G89-L92 WeakPolarHBondContact O-CB 3.41Å; G89-L92 WeakPolarHBondContact O-CG 3.21Å; G89-L92 PolarHBondContact O-N 2.79Å; D90-L92 VanDerWaalsContact C-N 3.3Å; L92-T94 PolarHBondContact O-N 3.27Å
93	P	93.8	Very high	94.6	Very high	129 Å²	129	94.2 Å²	94.2	84%	0.838	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-58.6	128.8	173.8	-22.6	33.1	0	0	0	111.3
94	T	89.6	Confident	94.5	Very high	127 Å²	127	94.5 Å²	94.5	78%	0.779	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-88.8	148.4	171.8	54.2	0	0	0	0	110.3	L92	L92-T94 PolarHBondContact O-N 3.27Å
95	P	89.3	Confident	94.5	Very high	110 Å²	110	95.3 Å²	95.3	71%	0.714	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-59.7	151.1	172.1	26.2	-33.8	0	0	0	110
96	P	91.1	Very high	94.4	Very high	113 Å²	113	94.3 Å²	94.3	73%	0.734	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-58.4	150.9	178.1	26.2	-34.7	0	0	0	110.7
97	P	92.6	Very high	94.3	Very high	120 Å²	120	94.7 Å²	94.7	78%	0.779	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-54.7	144.8	177.3	-24.6	33	0	0	0	112	P99	P97-P99 WeakPolarHBondContact O-CD 3.36Å
98	V	92.8	Very high	94.3	Very high	84 Å²	84	99.2 Å²	99.2	51%	0.509	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-56.3	126.2	175.5	179.6	0	0	0	0	109.4	A100 V102 L103	V98-A100 PolarHBondContact O-N 2.98Å; V98-V102 HydrophobicContact CG1-CB 3.86Å; V98-V102 HydrophobicContact CG1-CG1 3.86Å; V98-L103 HydrophobicContact CB-CD2 4.23Å; V98-L103 HydrophobicContact CB-CG 4.43Å; V98-L103 HydrophobicContact CG1-CD2 3.91Å; V98-L103 HydrophobicContact CG1-CG 4.06Å
99	P	96.5	Very high	94.1	Very high	64 Å²	64	99.9 Å²	99.9	42%	0.416	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-57.7	139	-178.5	-27.3	34.7	0	0	0	113.1	P97 Y101 V102 L103	P97-P99 WeakPolarHBondContact O-CD 3.36Å; P99-Y101 HydrophobicContact CB-CD1 3.61Å; P99-Y101 HydrophobicContact CB-CE1 3.31Å; P99-Y101 HydrophobicContact CG-CE1 4.04Å; P99-Y101 PolarHBondContact O-N 3.38Å; P99-V102 HydrophobicContact CB-CG2 4.26Å; P99-V102 WeakPolarHBondContact O-CB 3.2Å; P99-V102 PolarHBondContact O-N 2.9Å; P99-L103 PolarHBondContact O-N 2.86Å
100	A	96.3	Very high	94	Very high	66 Å²	66	107.2 Å²	107.2	55%	0.545	57%	0.574	S	S	.	*	H	α-helix	trans	-58.6	-27	-174.1	0	0	0	0	0	114.6	V98 R104	V98-A100 PolarHBondContact O-N 2.98Å; A100-R104 WeakPolarHBondContact O-CG 3.29Å; A100-R104 PolarHBondContact O-N 3.05Å; A100-R104 VanDerWaalsContact O-N 3.09Å; A100-R104 PolarHBondContact O-NE 2.82Å
101	Y	95.8	Very high	94.1	Very high	151 Å²	151	102 Å²	102	59%	0.592	55%	0.548	S	S	*	.	H	α-helix	trans	-70.7	-32.5	175.7	74.6	-92	0	0	0	112.4	P99 R104 A105	P99-Y101 HydrophobicContact CB-CD1 3.61Å; P99-Y101 HydrophobicContact CB-CE1 3.31Å; P99-Y101 HydrophobicContact CG-CE1 4.04Å; P99-Y101 PolarHBondContact O-N 3.38Å; Y101-R104 PolarHBondContact O-N 3.23Å; Y101-A105 WeakPolarHBondContact O-CB 3.5Å; Y101-A105 PolarHBondContact O-N 2.92Å
102	V	96	Very high	94.1	Very high	45 Å²	45	103.1 Å²	103.1	27%	0.273	55%	0.554	S	S	.	*	H	α-helix	trans	-66.5	-47.2	175.4	178.7	0	0	0	0	109.2	V98 P99 R104 A105 L106	V98-V102 HydrophobicContact CG1-CB 3.86Å; V98-V102 HydrophobicContact CG1-CG1 3.86Å; P99-V102 HydrophobicContact CB-CG2 4.26Å; P99-V102 WeakPolarHBondContact O-CB 3.2Å; P99-V102 PolarHBondContact O-N 2.9Å; V102-R104 VanDerWaalsContact C-N 3.3Å; V102-R104 PolarHBondContact O-N 2.53Å; V102-A105 PolarHBondContact O-N 2.92Å; V102-A105 VanDerWaalsContact O-N 3.14Å; V102-L106 HydrophobicContact CG1-CD1 4.08Å; V102-L106 HydrophobicContact CG1-CG 4.4Å; V102-L106 WeakPolarHBondContact O-CG 3.32Å; V102-L106 PolarHBondContact O-N 3.34Å
103	L	96.1	Very high	93.6	Very high	98 Å²	98	105.4 Å²	105.4	51%	0.513	57%	0.572	S	S	.	*	H	α-helix	trans	-57.8	-42.8	176	-62.4	177	0	0	0	111.8	V98 P99 L106 E107	V98-L103 HydrophobicContact CB-CD2 4.23Å; V98-L103 HydrophobicContact CB-CG 4.43Å; V98-L103 HydrophobicContact CG1-CD2 3.91Å; V98-L103 HydrophobicContact CG1-CG 4.06Å; P99-L103 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 2.87Å; L103-E107 WeakPolarHBondContact O-CB 3.41Å; L103-E107 PolarHBondContact O-N 2.76Å
104	R	95.6	Very high	93	Very high	176 Å²	176	105 Å²	105	66%	0.664	57%	0.568	S	S	*	*	H	α-helix	trans	-63	-41.7	174.9	-75.5	-177.3	-71	168.5	-0.4	113	A100 Y101 V102 E107 Y108	A100-R104 WeakPolarHBondContact O-CG 3.29Å; A100-R104 PolarHBondContact O-N 3.05Å; A100-R104 VanDerWaalsContact O-N 3.09Å; A100-R104 PolarHBondContact O-NE 2.82Å; Y101-R104 PolarHBondContact O-N 3.23Å; V102-R104 VanDerWaalsContact C-N 3.3Å; V102-R104 PolarHBondContact O-N 2.53Å; R104-E107 PolarHBondContact O-N 2.8Å; R104-Y108 PolarHBondContact O-N 2.77Å
105	A	95.9	Very high	92.4	Very high	50 Å²	50	103 Å²	103	41%	0.413	57%	0.565	S	S	.	*	H	α-helix	trans	-66.2	-43	178.3	0	0	0	0	0	111.9	Y101 V102 E107 Y108 I109	Y101-A105 WeakPolarHBondContact O-CB 3.5Å; Y101-A105 PolarHBondContact O-N 2.92Å; V102-A105 PolarHBondContact O-N 2.92Å; V102-A105 VanDerWaalsContact O-N 3.14Å; A105-E107 VanDerWaalsContact C-N 3.33Å; A105-E107 PolarHBondContact O-N 3.43Å; A105-Y108 PolarHBondContact O-N 2.86Å; A105-I109 WeakPolarHBondContact O-CG1 3.5Å; A105-I109 PolarHBondContact O-N 2.79Å
106	L	94.9	Very high	91.8	Very high	102 Å²	102	103.5 Å²	103.5	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-61.6	-42.2	175.3	-68.9	173.3	0	0	0	111.5	V102 L103 I109 R110	V102-L106 HydrophobicContact CG1-CD1 4.08Å; V102-L106 HydrophobicContact CG1-CG 4.4Å; V102-L106 WeakPolarHBondContact O-CG 3.32Å; V102-L106 PolarHBondContact O-N 3.34Å; L103-L106 PolarHBondContact O-N 2.87Å; L106-I109 PolarHBondContact O-N 3.1Å; L106-R110 WeakPolarHBondContact O-CB 3.27Å; L106-R110 PolarHBondContact O-N 2.89Å
107	E	95.3	Very high	90.9	Very high	87 Å²	87	102.6 Å²	102.6	41%	0.407	57%	0.57	S	S	.	*	H	α-helix	trans	-64.7	-39.9	176.2	-180	58	-164.8	0	0	112.4	L103 R104 A105 R110 T111	L103-E107 WeakPolarHBondContact O-CB 3.41Å; L103-E107 PolarHBondContact O-N 2.76Å; R104-E107 PolarHBondContact O-N 2.8Å; A105-E107 VanDerWaalsContact C-N 3.33Å; A105-E107 PolarHBondContact O-N 3.43Å; E107-R110 PolarHBondContact O-N 2.88Å; E107-R110 IonicContact OE1-CZ 3.26Å; E107-R110 IonicContact OE1-NE 3.44Å; E107-R110 IonicContact OE1-NH2 3.43Å; E107-R110 PolarHBondContact OE1-NH2 3.17Å; E107-R110 IonicContact OE2-CZ 3.49Å; E107-R110 IonicContact OE2-NE 2.94Å; E107-R110 PolarHBondContact OE2-NE 2.66Å; E107-R110 IonicContact OE2-NH2 3.51Å; E107-R110 PolarHBondContact OE2-NH2 3.03Å; E107-T111 WeakPolarHBondContact O-CB 3.33Å; E107-T111 WeakPolarHBondContact O-CG2 3.33Å; E107-T111 PolarHBondContact O-N 3.45Å; E107-T111 PolarHBondContact O-OG1 3Å; E107-T111 WeakPolarHBondContact OE1-CG2 3.47Å
108	Y	95.2	Very high	89.3	Confident	144 Å²	144	105.7 Å²	105.7	57%	0.565	58%	0.575	S	S	*	*	H	α-helix	trans	-60.9	-47.8	173.9	-176.6	-89.5	0	0	0	111.3	R104 A105 R110 T111 H112	R104-Y108 PolarHBondContact O-N 2.77Å; A105-Y108 PolarHBondContact O-N 2.86Å; Y108-R110 VanDerWaalsContact C-N 3.35Å; Y108-R110 PolarHBondContact O-N 2.92Å; Y108-T111 PolarHBondContact O-N 2.83Å; Y108-T111 PolarHBondContact O-OG1 2.94Å; Y108-T111 VanDerWaalsContact O-OG1 3.06Å; Y108-H112 HydrophobicContact CD1-CB 4.5Å; Y108-H112 AromaticContact CD2-CE1 3.63Å; Y108-H112 AromaticContact CD2-ND1 3.62Å; Y108-H112 HydrophobicContact CE1-CB 4.16Å; Y108-H112 AromaticContact CE2-CE1 3.51Å; Y108-H112 AromaticContact CE2-CG 3.99Å; Y108-H112 AromaticContact CE2-ND1 3.65Å; Y108-H112 AromaticContact CE2-NE2 3.75Å; Y108-H112 AromaticContact CG-ND1 3.91Å; Y108-H112 AromaticContact CZ-CD2 3.97Å; Y108-H112 AromaticContact CZ-CG 3.85Å; Y108-H112 AromaticContact CZ-ND1 3.96Å; Y108-H112 WeakPolarHBondContact O-CB 3.44Å; Y108-H112 PolarHBondContact O-N 3.35Å; Y108-H112 PolarHBondContact O-ND1 3.15Å
109	I	93.9	Very high	87.7	Confident	111 Å²	111	111 Å²	111	57%	0.569	59%	0.591	S	S	*	*	H	α-helix	trans	-61	-44	178.3	-67.4	163.3	0	0	0	110.9	A105 L106 T111 H112	A105-I109 WeakPolarHBondContact O-CG1 3.5Å; A105-I109 PolarHBondContact O-N 2.79Å; L106-I109 PolarHBondContact O-N 3.1Å; I109-T111 VanDerWaalsContact C-N 3.27Å; I109-T111 PolarHBondContact O-N 2.88Å; I109-H112 CarbonylContact O-C 3.58Å; I109-H112 PolarHBondContact O-N 2.79Å
110	R	93.7	Very high	85.8	Confident	170 Å²	170	116.1 Å²	116.1	64%	0.642	61%	0.609	S	S	*	*	H	α-helix	trans	-60.3	-36.4	178.1	-170.1	-170.1	71.4	77.4	-1.1	112.6	L106 E107 Y108	L106-R110 WeakPolarHBondContact O-CB 3.27Å; L106-R110 PolarHBondContact O-N 2.89Å; E107-R110 PolarHBondContact O-N 2.88Å; E107-R110 IonicContact OE1-CZ 3.26Å; E107-R110 IonicContact OE1-NE 3.44Å; E107-R110 IonicContact OE1-NH2 3.43Å; E107-R110 PolarHBondContact OE1-NH2 3.17Å; E107-R110 IonicContact OE2-CZ 3.49Å; E107-R110 IonicContact OE2-NE 2.94Å; E107-R110 PolarHBondContact OE2-NE 2.66Å; E107-R110 IonicContact OE2-NH2 3.51Å; E107-R110 PolarHBondContact OE2-NH2 3.03Å; Y108-R110 VanDerWaalsContact C-N 3.35Å; Y108-R110 PolarHBondContact O-N 2.92Å
111	T	95.1	Very high	83.6	Confident	67 Å²	67	122.1 Å²	122.1	41%	0.411	63%	0.626	S	S	.	*	H	α-helix	trans	-90.7	-15.8	-177.2	53.2	0	0	0	0	113.6	E107 Y108 I109 P113	E107-T111 WeakPolarHBondContact O-CB 3.33Å; E107-T111 WeakPolarHBondContact O-CG2 3.33Å; E107-T111 PolarHBondContact O-N 3.45Å; E107-T111 PolarHBondContact O-OG1 3Å; E107-T111 WeakPolarHBondContact OE1-CG2 3.47Å; Y108-T111 PolarHBondContact O-N 2.83Å; Y108-T111 PolarHBondContact O-OG1 2.94Å; Y108-T111 VanDerWaalsContact O-OG1 3.06Å; I109-T111 VanDerWaalsContact C-N 3.27Å; I109-T111 PolarHBondContact O-N 2.88Å; T111-P113 VanDerWaalsContact C-CD 3.44Å; T111-P113 WeakPolarHBondContact O-CD 3.27Å
112	H	91.6	Very high	81.2	Confident	103 Å²	103	126.8 Å²	126.8	48%	0.477	65%	0.653	S	S	.	*	S	Bend	trans	-122.9	67.3	179.2	-58.7	74.6	0	0	0	110.5	Y108 I109	Y108-H112 HydrophobicContact CD1-CB 4.5Å; Y108-H112 AromaticContact CD2-CE1 3.63Å; Y108-H112 AromaticContact CD2-ND1 3.62Å; Y108-H112 HydrophobicContact CE1-CB 4.16Å; Y108-H112 AromaticContact CE2-CE1 3.51Å; Y108-H112 AromaticContact CE2-CG 3.99Å; Y108-H112 AromaticContact CE2-ND1 3.65Å; Y108-H112 AromaticContact CE2-NE2 3.75Å; Y108-H112 AromaticContact CG-ND1 3.91Å; Y108-H112 AromaticContact CZ-CD2 3.97Å; Y108-H112 AromaticContact CZ-CG 3.85Å; Y108-H112 AromaticContact CZ-ND1 3.96Å; Y108-H112 WeakPolarHBondContact O-CB 3.44Å; Y108-H112 PolarHBondContact O-N 3.35Å; Y108-H112 PolarHBondContact O-ND1 3.15Å; I109-H112 CarbonylContact O-C 3.58Å; I109-H112 PolarHBondContact O-N 2.79Å
113	P	85.4	Confident	80.5	Confident	97 Å²	97	130.9 Å²	130.9	63%	0.63	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-58.9	141.4	176.7	25.8	-33.5	0	0	0	110	T111 A115	T111-P113 VanDerWaalsContact C-CD 3.44Å; T111-P113 WeakPolarHBondContact O-CD 3.27Å; P113-A115 PolarHBondContact O-N 2.95Å
114	P	79.3	Confident	79.7	Confident	119 Å²	119	132.6 Å²	132.6	77%	0.773	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-59.4	138.7	176.4	25.3	-32.4	0	0	0	109.3
115	A	78	Confident	78.8	Confident	86 Å²	86	130.2 Å²	130.2	71%	0.711	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-55.1	140.2	171.6	0	0	0	0	0	108.8	P113 A117	P113-A115 PolarHBondContact O-N 2.95Å; A115-A117 PolarHBondContact O-N 3.3Å; A115-A117 VanDerWaalsContact O-N 3.09Å
116	P	77.3	Confident	77.8	Confident	120 Å²	120	134.9 Å²	134.9	78%	0.779	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-53.1	124.5	176.5	21.2	-31.4	0	0	0	108.5	Q118	P116-Q118 PolarHBondContact O-N 3.06Å
117	A	72	Confident	76.7	Confident	94 Å²	94	136.9 Å²	136.9	78%	0.777	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-52.3	117.3	-180	0	0	0	0	0	108.6	A115 K119	A115-A117 PolarHBondContact O-N 3.3Å; A115-A117 VanDerWaalsContact O-N 3.09Å; A117-K119 PolarHBondContact O-N 3.16Å
118	Q	58.6	Low	75.5	Confident	186 Å²	186	140.3 Å²	140.3	87%	0.869	73%	0.727	S	S	*	*			trans	-62.6	110.4	171	-67.5	-166.9	-64.4	0	0	106.1	P116 E120	P116-Q118 PolarHBondContact O-N 3.06Å; Q118-E120 PolarHBondContact O-N 3.4Å
119	K	58.7	Low	74.1	Confident	194 Å²	194	140 Å²	140	84%	0.843	74%	0.739	S	S	*	*			trans	-59.8	104.5	167.5	-69.1	-177.4	178.4	-177	0	106.1	A117 Q121	A117-K119 PolarHBondContact O-N 3.16Å; K119-Q121 PolarHBondContact O-N 2.74Å
120	E	56.9	Low	72.5	Confident	173 Å²	173	142.2 Å²	142.2	81%	0.808	75%	0.752	S	S	*	*			trans	-58.6	103.7	169.7	-71.2	-179.8	152.1	0	0	107.4	Q118 Q122	Q118-E120 PolarHBondContact O-N 3.4Å; E120-Q122 PolarHBondContact O-N 3.21Å
121	Q	50.6	Low	70.8	Confident	191 Å²	191	139.9 Å²	139.9	89%	0.893	76%	0.761	S	S	*	*			trans	-74.9	101	161.2	-74.8	179.7	-12.1	0	0	106.3	K119	K119-Q121 PolarHBondContact O-N 2.74Å
122	Q	45.8	Very low	68.6	Low	249 Å²	249	146.5 Å²	146.5	100%	1.164	79%	0.793	S	S	*	*			trans	-78.8	0	153.1	-72.2	-177.3	8.1	0	0	109.4	E120	E120-Q122 PolarHBondContact O-N 3.21Å

Retrieved 122 of 122 residues in 115.1 ms (Link to these results)

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