A0A2R8NCA5_CALJA Loading...

Trafficking protein particle complex subunit 3

May play a role in vesicular transport from endoplasmic reticulum to Golgi.

AlphaFold DB , UniProt , Accession A0A2R8NCA5, Species CALJA (Callithrix jacchus, White-tufted-ear marmoset), Gene TRAPPC3, Length 114 aa.

						>A0A2R8NCA5_CALJA|A0A2R8NCA5|TRAPPC3
MSRQANRGTESKKMVAFKMYLGITPSITNWSPAGDEFSLILENNPLVDFVELPDNHSSLIYSNLLCGVLRGALEMVQMAVEAKFVQDTLKGDGVTEIRMRFIRRIEDNLPAGEE
					

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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	43.6	Very low	38.5	Very low	245 Å²	245	149.7 Å²	149.7	100%	1.207	80%	0.801	S	S	*	*				0	110.9	0	-68.1	164.8	168.4	0	0	105.6
2	S	42.4	Very low	39.3	Very low	114 Å²	114	152.5 Å²	152.5	80%	0.797	80%	0.8	S	S	*	*			cis	-165.2	94	44.9	29.5	0	0	0	0	108.3
3	R	43.2	Very low	40.4	Very low	244 Å²	244	154.3 Å²	154.3	92%	0.921	80%	0.797	S	S	*	*	S	Bend	trans	-121	22	173.3	-84.8	-172.6	172.6	178.5	-1.9	112.7
4	Q	41.1	Very low	41.9	Very low	181 Å²	181	147.7 Å²	147.7	85%	0.846	76%	0.762	S	S	*	*			trans	-130.2	15.8	-166.3	-139.4	166.2	-12	0	0	114.3
5	A	38.2	Very low	44.8	Very low	92 Å²	92	142.2 Å²	142.2	76%	0.76	74%	0.738	S	S	*	*	S	Bend	trans	-102.8	-8.8	-179.2	0	0	0	0	0	115
6	N	39.8	Very low	47.7	Very low	136 Å²	136	136.9 Å²	136.9	73%	0.727	72%	0.721	S	S	*	*	S	Bend	trans	-105.2	4.4	-172	-119.6	20.5	0	0	0	116.1	G8	N6-G8 VanDerWaalsContact C-N 3.34Å
7	R	40.5	Very low	50.4	Low	212 Å²	212	130.3 Å²	130.3	80%	0.8	69%	0.685	S	S	*	*	S	Bend	trans	-90.5	4.4	177.2	-60.5	-172.3	-158.4	-179	4.4	113.7
8	G	29.2	Very low	52.7	Low	73 Å²	73	129.8 Å²	129.8	75%	0.753	68%	0.677	S	S	*	*	S	Bend	trans	-99.1	-5.3	-174.3	0	0	0	0	0	115.7	N6	N6-G8 VanDerWaalsContact C-N 3.34Å
9	T	33.9	Very low	54.9	Low	86 Å²	86	129.6 Å²	129.6	53%	0.528	67%	0.673	S	S	.	*	S	Bend	trans	-109.5	-9.1	-177.5	44.8	0	0	0	0	114.1	S11	T9-S11 PolarHBondContact O-N 2.93Å; T9-S11 VanDerWaalsContact O-N 3.07Å
10	E	33.7	Very low	57	Low	163 Å²	163	132.2 Å²	132.2	76%	0.762	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	12.1	179.6	-85.8	172.8	104.5	0	0	114.9
11	S	37.9	Very low	58.8	Low	101 Å²	101	128 Å²	128	71%	0.706	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.9	35.9	176.1	-68.6	0	0	0	0	113.3	T9 K13	T9-S11 PolarHBondContact O-N 2.93Å; T9-S11 VanDerWaalsContact O-N 3.07Å; S11-K13 PolarHBondContact O-N 3.3Å
12	K	48.3	Very low	61.2	Low	183 Å²	183	118.2 Å²	118.2	80%	0.796	62%	0.617	S	S	*	*			trans	-79.8	67.2	166.8	-80	-178.4	177.9	177.8	0	110.9	M14	K12-M14 PolarHBondContact O-N 2.75Å; K12-M14 VanDerWaalsContact O-N 3.14Å
13	K	53.7	Low	63.7	Low	176 Å²	176	114 Å²	114	77%	0.765	59%	0.585	S	S	*	*			trans	-2.6	92.9	155	-78.4	179.7	-173.1	-176	0	115.4	S11 V15	S11-K13 PolarHBondContact O-N 3.3Å; K13-V15 HydrophobicContact CB-CB 4.34Å; K13-V15 HydrophobicContact CB-CG2 3.52Å; K13-V15 HydrophobicContact CD-CG2 3.97Å; K13-V15 HydrophobicContact CG-CG2 3.79Å; K13-V15 PolarHBondContact O-N 3.02Å
14	M	61.4	Low	66.1	Low	62 Å²	62	106.8 Å²	106.8	31%	0.305	57%	0.568	S	S	.	*			trans	-70.8	62.1	154.4	-63.5	153.3	46.1	0	0	109.7	K12 T24 P25 I27	K12-M14 PolarHBondContact O-N 2.75Å; K12-M14 VanDerWaalsContact O-N 3.14Å; M14-T24 HydrophobicContact CE-CG2 3.21Å; M14-T24 HydrophobicContact SD-CG2 4.25Å; M14-P25 VanDerWaalsContact CE-C 3.48Å; M14-P25 WeakPolarHBondContact CE-O 3.5Å; M14-P25 VanDerWaalsContact SD-O 3.37Å; M14-I27 HydrophobicContact CG-CD1 4.43Å
15	V	84.6	Confident	68.7	Low	65 Å²	65	98.3 Å²	98.3	39%	0.394	53%	0.528	S	S	.	.	H	α-helix	trans	-79	-34.8	-176.5	165	0	0	0	0	110.6	K13 F17 K18 M19	K13-V15 HydrophobicContact CB-CB 4.34Å; K13-V15 HydrophobicContact CB-CG2 3.52Å; K13-V15 HydrophobicContact CD-CG2 3.97Å; K13-V15 HydrophobicContact CG-CG2 3.79Å; K13-V15 PolarHBondContact O-N 3.02Å; V15-F17 PolarHBondContact O-N 2.9Å; V15-K18 PolarHBondContact O-N 3.15Å; V15-M19 HydrophobicContact CG1-CB 4.41Å; V15-M19 HydrophobicContact CG1-CE 3.62Å; V15-M19 WeakPolarHBondContact O-CB 3.25Å; V15-M19 PolarHBondContact O-N 2.91Å
16	A	91.1	Very high	71.4	Confident	57 Å²	57	96 Å²	96	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-58.8	-54.2	-174.9	0	0	0	0	0	112.3	K18 M19 Y20	A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.1Å; A16-M19 PolarHBondContact O-N 2.9Å; A16-Y20 HydrophobicContact CB-CD2 4.36Å; A16-Y20 WeakPolarHBondContact O-CB 3.14Å; A16-Y20 WeakPolarHBondContact O-CD2 3.17Å; A16-Y20 PolarHBondContact O-N 2.86Å
17	F	93.6	Very high	74.1	Confident	25 Å²	25	93.1 Å²	93.1	11%	0.11	49%	0.491	C	S	.	.	H	α-helix	trans	-63.3	-38.6	178.7	-82.4	-85.7	0	0	0	112.6	V15 M19 L21 G22 I23 P25 L39 L41 L69	V15-F17 PolarHBondContact O-N 2.9Å; F17-M19 VanDerWaalsContact C-N 3.34Å; F17-M19 PolarHBondContact O-N 3.41Å; F17-L21 HydrophobicContact CD1-CD1 3.82Å; F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 CarbonylContact O-C 3.39Å; F17-L21 WeakPolarHBondContact O-CA 3.2Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.25Å; F17-G22 PolarHBondContact O-N 3.07Å; F17-I23 CarbonylContact C-O 3.39Å; F17-I23 HydrophobicContact CB-CG1 4.2Å; F17-I23 HydrophobicContact CD1-CD1 4.05Å; F17-I23 HydrophobicContact CD1-CG1 4.09Å; F17-I23 PolarHBondContact O-N 3.49Å; F17-P25 VanDerWaalsContact CB-CD 3.46Å; F17-P25 HydrophobicContact CB-CG 3.89Å; F17-P25 HydrophobicContact CD1-CG 3.66Å; F17-P25 HydrophobicContact CD2-CG 3.86Å; F17-P25 HydrophobicContact CE1-CG 4.13Å; F17-P25 HydrophobicContact CE2-CG 4.29Å; F17-P25 HydrophobicContact CG-CG 3.52Å; F17-P25 HydrophobicContact CZ-CG 4.42Å; F17-L39 HydrophobicContact CE2-CD1 4.05Å; F17-L39 HydrophobicContact CZ-CD1 4.3Å; F17-L41 HydrophobicContact CE1-CD2 4.25Å; F17-L69 HydrophobicContact CE2-CD2 4.11Å; F17-L69 HydrophobicContact CZ-CD1 4.4Å; F17-L69 HydrophobicContact CZ-CD2 4.32Å
18	K	93.4	Very high	76.7	Confident	122 Å²	122	85.2 Å²	85.2	53%	0.53	47%	0.466	S	S	.	.	H	α-helix	trans	-67.5	-37.8	178.2	-174.8	59.5	-178.7	179.7	0	111.8	V15 A16 G22 I23	V15-K18 PolarHBondContact O-N 3.15Å; A16-K18 VanDerWaalsContact C-N 3.33Å; A16-K18 PolarHBondContact O-N 3.1Å; K18-G22 WeakPolarHBondContact CD-O 3.09Å; K18-G22 PolarHBondContact NZ-O 2.81Å; K18-G22 VanDerWaalsContact O-CA 3.25Å; K18-G22 WeakPolarHBondContact O-CA 3.38Å; K18-G22 PolarHBondContact O-N 3.49Å; K18-I23 WeakPolarHBondContact CA-O 3.39Å; K18-I23 PolarHBondContact N-O 3.11Å
19	M	94.6	Very high	79.9	Confident	125 Å²	125	86.5 Å²	86.5	62%	0.616	46%	0.456	S	S	*	.	H	α-helix	trans	-72.8	-45.7	-179.2	-179.4	-177.3	-76.1	0	0	112.3	V15 A16 F17	V15-M19 HydrophobicContact CG1-CB 4.41Å; V15-M19 HydrophobicContact CG1-CE 3.62Å; V15-M19 WeakPolarHBondContact O-CB 3.25Å; V15-M19 PolarHBondContact O-N 2.91Å; A16-M19 PolarHBondContact O-N 2.9Å; F17-M19 VanDerWaalsContact C-N 3.34Å; F17-M19 PolarHBondContact O-N 3.41Å
20	Y	95.5	Very high	82.9	Confident	182 Å²	182	89.4 Å²	89.4	71%	0.714	46%	0.457	S	S	*	.	H	α-helix	trans	-94.3	-27.6	-172.6	-64.2	-61.7	0	0	0	114.2	A16	A16-Y20 HydrophobicContact CB-CD2 4.36Å; A16-Y20 WeakPolarHBondContact O-CB 3.14Å; A16-Y20 WeakPolarHBondContact O-CD2 3.17Å; A16-Y20 PolarHBondContact O-N 2.86Å
21	L	95.2	Very high	85.9	Confident	43 Å²	43	82.5 Å²	82.5	23%	0.225	43%	0.427	C	S	.	.	H	α-helix	trans	-126.8	-2.4	-175.8	-66	173.8	0	0	0	113.4	F17 I23 P45 L46 L65	F17-L21 HydrophobicContact CD1-CD1 3.82Å; F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 CarbonylContact O-C 3.39Å; F17-L21 WeakPolarHBondContact O-CA 3.2Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.25Å; L21-I23 HydrophobicContact CB-CD1 4.47Å; L21-I23 HydrophobicContact CB-CG1 4Å; L21-I23 PolarHBondContact O-N 3.17Å; L21-I23 VanDerWaalsContact O-N 3.17Å; L21-P45 HydrophobicContact CB-CG 4.2Å; L21-P45 HydrophobicContact CD2-CG 4.37Å; L21-L46 HydrophobicContact CD2-CD2 4.03Å; L21-L46 HydrophobicContact CD2-CG 4.32Å; L21-L65 HydrophobicContact CD1-CD2 3.76Å
22	G	94.9	Very high	88.7	Confident	41 Å²	41	84.7 Å²	84.7	42%	0.423	44%	0.439	S	S	.	.	S	Bend	trans	73.8	-0.5	179.4	0	0	0	0	0	115.4	F17 K18	F17-G22 PolarHBondContact O-N 3.07Å; K18-G22 WeakPolarHBondContact CD-O 3.09Å; K18-G22 PolarHBondContact NZ-O 2.81Å; K18-G22 VanDerWaalsContact O-CA 3.25Å; K18-G22 WeakPolarHBondContact O-CA 3.38Å; K18-G22 PolarHBondContact O-N 3.49Å
23	I	94.2	Very high	90.9	Very high	26 Å²	26	80 Å²	80	13%	0.133	43%	0.434	C	S	.	.			trans	-108.1	168.4	-174.8	66	171.9	0	0	0	113.2	F17 K18 L21 P25 L41 N43 P45	F17-I23 CarbonylContact C-O 3.39Å; F17-I23 HydrophobicContact CB-CG1 4.2Å; F17-I23 HydrophobicContact CD1-CD1 4.05Å; F17-I23 HydrophobicContact CD1-CG1 4.09Å; F17-I23 PolarHBondContact O-N 3.49Å; K18-I23 WeakPolarHBondContact CA-O 3.39Å; K18-I23 PolarHBondContact N-O 3.11Å; L21-I23 HydrophobicContact CB-CD1 4.47Å; L21-I23 HydrophobicContact CB-CG1 4Å; L21-I23 PolarHBondContact O-N 3.17Å; L21-I23 VanDerWaalsContact O-N 3.17Å; I23-P25 HydrophobicContact CD1-CG 4.27Å; I23-P25 HydrophobicContact CG1-CG 4.39Å; I23-L41 HydrophobicContact CD1-CB 4.48Å; I23-L41 HydrophobicContact CD1-CD2 3.69Å; I23-L41 HydrophobicContact CD1-CG 3.88Å; I23-N43 WeakPolarHBondContact CD1-O 3.46Å; I23-P45 HydrophobicContact CG2-CG 4.27Å
24	T	94.4	Very high	92.9	Very high	91 Å²	91	73.8 Å²	73.8	56%	0.558	42%	0.42	S	S	*	.			trans	-137.5	85.9	-177.6	-62	0	0	0	0	108.2	M14	M14-T24 HydrophobicContact CE-CG2 3.21Å; M14-T24 HydrophobicContact SD-CG2 4.25Å
25	P	94.7	Very high	94.5	Very high	3 Å²	3	73.9 Å²	73.9	2%	0.019	42%	0.422	C	S	.	.			trans	-67.2	134.6	-175.6	-20.2	32	0	0	0	114.3	M14 F17 I23 I40 L41	M14-P25 VanDerWaalsContact CE-C 3.48Å; M14-P25 WeakPolarHBondContact CE-O 3.5Å; M14-P25 VanDerWaalsContact SD-O 3.37Å; F17-P25 VanDerWaalsContact CB-CD 3.46Å; F17-P25 HydrophobicContact CB-CG 3.89Å; F17-P25 HydrophobicContact CD1-CG 3.66Å; F17-P25 HydrophobicContact CD2-CG 3.86Å; F17-P25 HydrophobicContact CE1-CG 4.13Å; F17-P25 HydrophobicContact CE2-CG 4.29Å; F17-P25 HydrophobicContact CG-CG 3.52Å; F17-P25 HydrophobicContact CZ-CG 4.42Å; I23-P25 HydrophobicContact CD1-CG 4.27Å; I23-P25 HydrophobicContact CG1-CG 4.39Å; P25-I40 CarbonylContact C-O 3.4Å; P25-I40 WeakPolarHBondContact CA-O 3.32Å; P25-I40 VanDerWaalsContact CB-O 3.29Å; P25-I40 WeakPolarHBondContact CB-O 3.5Å; P25-L41 HydrophobicContact CB-CD1 3.93Å; P25-L41 HydrophobicContact CB-CG 4.18Å; P25-L41 HydrophobicContact CG-CD1 4.06Å; P25-L41 HydrophobicContact CG-CG 4Å
26	S	95.1	Very high	95.1	Very high	45 Å²	45	72.5 Å²	72.5	32%	0.315	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	146.6	176.1	66.4	0	0	0	0	111.7	I40	S26-I40 PolarHBondContact N-O 3.32Å; S26-I40 PolarHBondContact O-N 2.86Å; S26-I40 WeakPolarHBondContact OG-CB 3.49Å
27	I	95.7	Very high	95.5	Very high	75 Å²	75	72 Å²	72	39%	0.385	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.5	177.5	-54.8	-179.8	0	0	0	108.5	M14 W30 F37 S38 L39	M14-I27 HydrophobicContact CG-CD1 4.43Å; I27-W30 HydrophobicContact CG2-CZ2 3.8Å; I27-F37 HydrophobicContact CG2-CB 4.2Å; I27-F37 HydrophobicContact CG2-CD2 3.66Å; I27-F37 HydrophobicContact CG2-CE2 4.34Å; I27-F37 HydrophobicContact CG2-CG 4.13Å; I27-S38 WeakPolarHBondContact CA-O 3.49Å; I27-L39 HydrophobicContact CG1-CD2 3.98Å
28	T	96.1	Very high	95.7	Very high	46 Å²	46	70.9 Å²	70.9	28%	0.282	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	-177.7	-174.2	66.1	0	0	0	0	111.7	W30 S38 I40	T28-W30 VanDerWaalsContact C-N 3.32Å; T28-W30 PolarHBondContact O-N 3.27Å; T28-W30 VanDerWaalsContact O-N 3.17Å; T28-S38 PolarHBondContact N-O 3.49Å; T28-S38 PolarHBondContact O-N 3.18Å; T28-I40 HydrophobicContact CG2-CG1 4.26Å; T28-I40 WeakPolarHBondContact OG1-CG1 3.5Å
29	N	95.9	Very high	95.9	Very high	100 Å²	100	65.7 Å²	65.7	54%	0.535	37%	0.371	S	S	.	.			trans	53.8	40.3	168.2	-59.9	-17.8	0	0	0	115	S31 R98	N29-S31 PolarHBondContact O-N 3.27Å; N29-R98 PolarHBondContact O-NH1 3.5Å; N29-R98 PolarHBondContact O-NH2 3.25Å
30	W	97.6	Very high	96	Very high	146 Å²	146	60.7 Å²	60.7	55%	0.553	35%	0.347	S	S	*	.			trans	-56.4	133.7	175.4	-73.8	89.1	0	0	0	111.6	I27 T28 E36 F37	I27-W30 HydrophobicContact CG2-CZ2 3.8Å; T28-W30 VanDerWaalsContact C-N 3.32Å; T28-W30 PolarHBondContact O-N 3.27Å; T28-W30 VanDerWaalsContact O-N 3.17Å; W30-E36 CarbonylContact C-O 3.5Å; W30-E36 VanDerWaalsContact CA-O 3.3Å; W30-E36 WeakPolarHBondContact CA-O 3.17Å; W30-F37 HydrophobicContact CD2-CB 3.68Å; W30-F37 HydrophobicContact CE3-CB 3.82Å; W30-F37 HydrophobicContact CE3-CD1 4.31Å; W30-F37 HydrophobicContact CE3-CG 4.47Å; W30-F37 HydrophobicContact CG-CB 4.2Å; W30-F37 HydrophobicContact CH2-CB 4.15Å; W30-F37 AromaticContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CE1 4.23Å; W30-F37 AromaticContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CZ2-CB 4.02Å; W30-F37 HydrophobicContact CZ2-CD1 4.15Å; W30-F37 HydrophobicContact CZ2-CG 4.07Å; W30-F37 HydrophobicContact CZ3-CB 4.06Å; W30-F37 AromaticContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CG 4.2Å
31	S	96.4	Very high	96.1	Very high	19 Å²	19	52 Å²	52	13%	0.133	31%	0.313	C	S	.	.			trans	-65.4	152.1	169.8	65.5	0	0	0	0	110.1	N29 A33 G34 D35 E36	N29-S31 PolarHBondContact O-N 3.27Å; S31-A33 PolarHBondContact O-N 3.49Å; S31-G34 PolarHBondContact O-N 2.83Å; S31-G34 PolarHBondContact OG-N 2.97Å; S31-D35 PolarHBondContact OG-N 3.14Å; S31-D35 PolarHBondContact OG-OD1 3.4Å; S31-E36 PolarHBondContact N-O 3.43Å; S31-E36 PolarHBondContact OG-N 3.12Å
32	P	96.1	Very high	95.9	Very high	147 Å²	147	57.9 Å²	57.9	96%	0.955	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-29.4	173.9	-26.1	35.1	0	0	0	113.7	G34	P32-G34 VanDerWaalsContact C-N 3.29Å
33	A	95.8	Very high	95.8	Very high	83 Å²	83	60.2 Å²	60.2	69%	0.686	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-10.9	176.2	0	0	0	0	0	113.3	S31 D35	S31-A33 PolarHBondContact O-N 3.49Å; A33-D35 PolarHBondContact O-N 2.89Å
34	G	94.1	Very high	95.8	Very high	46 Å²	46	59.2 Å²	59.2	47%	0.474	34%	0.337	S	S	.	.	S	Bend	trans	72.4	11.9	179.5	0	0	0	0	0	114.5	S31 P32	S31-G34 PolarHBondContact O-N 2.83Å; S31-G34 PolarHBondContact OG-N 2.97Å; P32-G34 VanDerWaalsContact C-N 3.29Å
35	D	95.8	Very high	96	Very high	64 Å²	64	57 Å²	57	34%	0.342	32%	0.324	S	S	.	.	S	Bend	trans	-98.4	-9.3	-178.2	64.4	-17.1	0	0	0	113.4	S31 A33 R100 F101	S31-D35 PolarHBondContact OG-N 3.14Å; S31-D35 PolarHBondContact OG-OD1 3.4Å; A33-D35 PolarHBondContact O-N 2.89Å; D35-R100 CarbonylContact O-C 3.54Å; D35-R100 WeakPolarHBondContact O-CA 3.44Å; D35-F101 HydrophobicContact CB-CB 4.45Å; D35-F101 WeakPolarHBondContact O-CB 3.34Å; D35-F101 PolarHBondContact O-N 2.84Å
36	E	97.8	Very high	96.1	Very high	36 Å²	36	60 Å²	60	17%	0.168	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	149.5	174	-51.4	-170.2	169.7	0	0	111.7	W30 S31 R98 M99 R100	W30-E36 CarbonylContact C-O 3.5Å; W30-E36 VanDerWaalsContact CA-O 3.3Å; W30-E36 WeakPolarHBondContact CA-O 3.17Å; S31-E36 PolarHBondContact N-O 3.43Å; S31-E36 PolarHBondContact OG-N 3.12Å; E36-R98 VanDerWaalsContact CB-NH2 3.3Å; E36-R98 IonicContact OE2-CZ 3.11Å; E36-R98 IonicContact OE2-NE 3.7Å; E36-R98 PolarHBondContact OE2-NE 3.22Å; E36-R98 IonicContact OE2-NH2 3.7Å; E36-R98 PolarHBondContact OE2-NH2 2.81Å; E36-M99 CarbonylContact C-O 3.6Å; E36-M99 WeakPolarHBondContact CA-O 3.31Å; E36-M99 WeakPolarHBondContact CB-O 3.1Å; E36-R100 HydrophobicContact CG-CB 3.77Å; E36-R100 HydrophobicContact CG-CG 3.92Å; E36-R100 VanDerWaalsContact OE1-CD 3.25Å; E36-R100 WeakPolarHBondContact OE1-CD 3.38Å; E36-R100 IonicContact OE1-CZ 3.1Å; E36-R100 IonicContact OE1-NE 2.86Å; E36-R100 IonicContact OE1-NH1 2.6Å; E36-R100 PolarHBondContact OE1-NH1 3.25Å; E36-R100 VanDerWaalsContact OE1-NH1 3.11Å
37	F	98.1	Very high	96.1	Very high	48 Å²	48	58.5 Å²	58.5	21%	0.211	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	168.1	171.8	63.8	-90.3	0	0	0	110.1	I27 W30 L39 M99	I27-F37 HydrophobicContact CG2-CB 4.2Å; I27-F37 HydrophobicContact CG2-CD2 3.66Å; I27-F37 HydrophobicContact CG2-CE2 4.34Å; I27-F37 HydrophobicContact CG2-CG 4.13Å; W30-F37 HydrophobicContact CD2-CB 3.68Å; W30-F37 HydrophobicContact CE3-CB 3.82Å; W30-F37 HydrophobicContact CE3-CD1 4.31Å; W30-F37 HydrophobicContact CE3-CG 4.47Å; W30-F37 HydrophobicContact CG-CB 4.2Å; W30-F37 HydrophobicContact CH2-CB 4.15Å; W30-F37 AromaticContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CD1 3.61Å; W30-F37 HydrophobicContact CH2-CE1 4.23Å; W30-F37 AromaticContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CH2-CG 3.99Å; W30-F37 HydrophobicContact CZ2-CB 4.02Å; W30-F37 HydrophobicContact CZ2-CD1 4.15Å; W30-F37 HydrophobicContact CZ2-CG 4.07Å; W30-F37 HydrophobicContact CZ3-CB 4.06Å; W30-F37 AromaticContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CD1 3.7Å; W30-F37 HydrophobicContact CZ3-CG 4.2Å; F37-L39 HydrophobicContact CD2-CD2 4.41Å; F37-L39 HydrophobicContact CD2-CG 4.41Å; F37-L39 HydrophobicContact CE2-CD2 3.83Å; F37-L39 HydrophobicContact CE2-CG 3.87Å; F37-M99 HydrophobicContact CD1-CB 4.11Å; F37-M99 HydrophobicContact CD2-CB 4.07Å; F37-M99 HydrophobicContact CD2-CG 4.26Å; F37-M99 HydrophobicContact CE1-CB 3.74Å; F37-M99 HydrophobicContact CE1-CG 4.41Å; F37-M99 HydrophobicContact CE2-CB 3.72Å; F37-M99 HydrophobicContact CE2-CG 3.61Å; F37-M99 HydrophobicContact CG-CB 4.27Å; F37-M99 HydrophobicContact CZ-CB 3.53Å; F37-M99 HydrophobicContact CZ-CG 3.7Å; F37-M99 PolarHBondContact N-O 2.87Å; F37-M99 PolarHBondContact O-N 3.42Å
38	S	98.2	Very high	96	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	137.7	177.4	-63.6	0	0	0	0	111.2	I27 T28 E96 R98	I27-S38 WeakPolarHBondContact CA-O 3.49Å; T28-S38 PolarHBondContact N-O 3.49Å; T28-S38 PolarHBondContact O-N 3.18Å; S38-E96 WeakPolarHBondContact CB-OE1 3.48Å; S38-E96 PolarHBondContact OG-OE1 3.38Å; S38-R98 WeakPolarHBondContact OG-CD 3.3Å; S38-R98 PolarHBondContact OG-NH1 2.87Å
39	L	97.6	Very high	96	Very high	14 Å²	14	66.6 Å²	66.6	7%	0.073	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.8	167.4	-66.7	172.9	0	0	0	108.3	F17 I27 F37 L41 L69 E96 I97 M99	F17-L39 HydrophobicContact CE2-CD1 4.05Å; F17-L39 HydrophobicContact CZ-CD1 4.3Å; I27-L39 HydrophobicContact CG1-CD2 3.98Å; F37-L39 HydrophobicContact CD2-CD2 4.41Å; F37-L39 HydrophobicContact CD2-CG 4.41Å; F37-L39 HydrophobicContact CE2-CD2 3.83Å; F37-L39 HydrophobicContact CE2-CG 3.87Å; L39-L41 HydrophobicContact CB-CD1 4.29Å; L39-L69 HydrophobicContact CD1-CD1 4.09Å; L39-L69 HydrophobicContact CD1-CD2 4.49Å; L39-E96 WeakPolarHBondContact O-CA 3.39Å; L39-I97 HydrophobicContact CB-CB 4.34Å; L39-I97 PolarHBondContact N-O 3.21Å; L39-I97 PolarHBondContact O-N 3.35Å; L39-M99 HydrophobicContact CD1-CG 3.88Å; L39-M99 HydrophobicContact CD1-SD 4.25Å; L39-M99 HydrophobicContact CG-CG 4.11Å
40	I	97.8	Very high	96	Very high	19 Å²	19	63.8 Å²	63.8	10%	0.097	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	115.9	178.7	-48	-58.4	0	0	0	109.3	P25 S26 T28 V94 E96	P25-I40 CarbonylContact C-O 3.4Å; P25-I40 WeakPolarHBondContact CA-O 3.32Å; P25-I40 VanDerWaalsContact CB-O 3.29Å; P25-I40 WeakPolarHBondContact CB-O 3.5Å; S26-I40 PolarHBondContact N-O 3.32Å; S26-I40 PolarHBondContact O-N 2.86Å; S26-I40 WeakPolarHBondContact OG-CB 3.49Å; T28-I40 HydrophobicContact CG2-CG1 4.26Å; T28-I40 WeakPolarHBondContact OG1-CG1 3.5Å; I40-V94 HydrophobicContact CG2-CB 3.95Å; I40-V94 HydrophobicContact CG2-CG1 4.11Å; I40-V94 HydrophobicContact CG2-CG2 3.97Å; I40-E96 HydrophobicContact CD1-CB 3.92Å; I40-E96 HydrophobicContact CD1-CG 3.71Å
41	L	96.2	Very high	95.9	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	98.8	174.2	-73.2	71.2	0	0	0	107.3	F17 I23 P25 L39 N43 N44 L65 T95 I97	F17-L41 HydrophobicContact CE1-CD2 4.25Å; I23-L41 HydrophobicContact CD1-CB 4.48Å; I23-L41 HydrophobicContact CD1-CD2 3.69Å; I23-L41 HydrophobicContact CD1-CG 3.88Å; P25-L41 HydrophobicContact CB-CD1 3.93Å; P25-L41 HydrophobicContact CB-CG 4.18Å; P25-L41 HydrophobicContact CG-CD1 4.06Å; P25-L41 HydrophobicContact CG-CG 4Å; L39-L41 HydrophobicContact CB-CD1 4.29Å; L41-N43 PolarHBondContact O-N 3.41Å; L41-N44 HydrophobicContact CD2-CB 4.26Å; L41-L65 HydrophobicContact CD2-CD1 4.15Å; L41-T95 HydrophobicContact CB-CG2 4.12Å; L41-T95 HydrophobicContact CD2-CG2 4.35Å; L41-T95 PolarHBondContact N-O 2.92Å; L41-T95 PolarHBondContact O-N 2.93Å; L41-I97 HydrophobicContact CD1-CD1 4.45Å
42	E	92.2	Very high	95.8	Very high	166 Å²	166	65.7 Å²	65.7	78%	0.776	36%	0.362	S	S	*	.	S	Bend	trans	-65	-31.9	174.1	-67.1	-176.4	-172.4	0	0	111.9
43	N	91.8	Very high	95.7	Very high	90 Å²	90	62.1 Å²	62.1	48%	0.481	34%	0.338	S	S	.	.			trans	-131.8	123.7	170.4	-177.1	-26.3	0	0	0	108.3	I23 L41 D48	I23-N43 WeakPolarHBondContact CD1-O 3.46Å; L41-N43 PolarHBondContact O-N 3.41Å; N43-D48 PolarHBondContact OD1-OD1 3.36Å
44	N	95.5	Very high	95.5	Very high	5 Å²	5	66 Å²	66	3%	0.027	35%	0.348	C	S	.	.			trans	-109.2	104.1	172.3	176.2	13.5	0	0	0	109.3	L41 L46 V47 S62	L41-N44 HydrophobicContact CD2-CB 4.26Å; N44-L46 PolarHBondContact O-N 3.17Å; N44-L46 WeakPolarHBondContact OD1-CB 3.37Å; N44-L46 PolarHBondContact OD1-N 3.4Å; N44-V47 HydrophobicContact CB-CG2 4.04Å; N44-V47 VanDerWaalsContact O-CG2 3.28Å; N44-V47 WeakPolarHBondContact O-CG2 2.7Å; N44-V47 PolarHBondContact O-N 2.9Å; N44-V47 VanDerWaalsContact O-N 3.08Å; N44-S62 PolarHBondContact ND2-OG 2.88Å
45	P	96.8	Very high	95.5	Very high	45 Å²	45	70 Å²	70	29%	0.292	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-14.8	-173.5	28.4	-36.8	0	0	0	113.4	L21 I23 V47	L21-P45 HydrophobicContact CB-CG 4.2Å; L21-P45 HydrophobicContact CD2-CG 4.37Å; I23-P45 HydrophobicContact CG2-CG 4.27Å; P45-V47 PolarHBondContact O-N 3.03Å
46	L	96.8	Very high	95.3	Very high	65 Å²	65	71.1 Å²	71.1	34%	0.34	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.8	177.4	-58.4	-177.7	0	0	0	112.7	L21 N44 Y61 L65	L21-L46 HydrophobicContact CD2-CD2 4.03Å; L21-L46 HydrophobicContact CD2-CG 4.32Å; N44-L46 PolarHBondContact O-N 3.17Å; N44-L46 WeakPolarHBondContact OD1-CB 3.37Å; N44-L46 PolarHBondContact OD1-N 3.4Å; L46-Y61 WeakPolarHBondContact O-CE1 3.48Å; L46-L65 HydrophobicContact CD1-CD1 4.16Å; L46-L65 HydrophobicContact CD1-CD2 3.89Å; L46-L65 HydrophobicContact CD1-CG 4.03Å
47	V	96.6	Very high	94.9	Very high	14 Å²	14	73.5 Å²	73.5	9%	0.085	38%	0.382	C	S	.	.	S	Bend	trans	-120.7	4.9	-173.4	-53.1	0	0	0	0	114.4	N44 P45 F49 V50 Y61 L89	N44-V47 HydrophobicContact CB-CG2 4.04Å; N44-V47 VanDerWaalsContact O-CG2 3.28Å; N44-V47 WeakPolarHBondContact O-CG2 2.7Å; N44-V47 PolarHBondContact O-N 2.9Å; N44-V47 VanDerWaalsContact O-N 3.08Å; P45-V47 PolarHBondContact O-N 3.03Å; V47-F49 PolarHBondContact O-N 2.92Å; V47-V50 HydrophobicContact CB-CB 4.36Å; V47-V50 PolarHBondContact O-N 3.19Å; V47-Y61 HydrophobicContact CG1-CD1 3.87Å; V47-Y61 HydrophobicContact CG1-CE1 4.43Å; V47-L89 HydrophobicContact CB-CD1 3.89Å; V47-L89 HydrophobicContact CB-CD2 3.99Å; V47-L89 HydrophobicContact CB-CG 3.86Å; V47-L89 HydrophobicContact CG1-CD1 3.48Å; V47-L89 VanDerWaalsContact CG1-CD1 3.48Å; V47-L89 HydrophobicContact CG1-CD2 4.5Å; V47-L89 HydrophobicContact CG1-CG 3.87Å; V47-L89 HydrophobicContact CG2-CG 4.36Å
48	D	93.7	Very high	94.7	Very high	89 Å²	89	76.3 Å²	76.3	48%	0.476	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.4	-174	-77.9	-9.5	0	0	0	114.8	N43	N43-D48 PolarHBondContact OD1-OD1 3.36Å
49	F	94.6	Very high	94.6	Very high	202 Å²	202	79.9 Å²	79.9	89%	0.886	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.6	26.7	-179	-51.7	-68.4	0	0	0	112.2	V47	V47-F49 PolarHBondContact O-N 2.92Å
50	V	96.7	Very high	94.7	Very high	40 Å²	40	82 Å²	82	24%	0.242	44%	0.437	C	S	.	.			trans	-107.9	133.5	-178.1	-179.1	0	0	0	0	108.8	V47 Y61 L89	V47-V50 HydrophobicContact CB-CB 4.36Å; V47-V50 PolarHBondContact O-N 3.19Å; V50-Y61 HydrophobicContact CG1-CD2 3.93Å; V50-Y61 HydrophobicContact CG1-CE1 4.34Å; V50-Y61 HydrophobicContact CG1-CE2 3.73Å; V50-Y61 HydrophobicContact CG1-CG 4.32Å; V50-Y61 HydrophobicContact CG2-CE1 3.89Å; V50-Y61 HydrophobicContact CG2-CE2 4.32Å; V50-L89 HydrophobicContact CB-CD1 4.26Å; V50-L89 HydrophobicContact CB-CD2 4.1Å; V50-L89 HydrophobicContact CG1-CD1 3.76Å; V50-L89 HydrophobicContact CG1-CD2 4.12Å; V50-L89 WeakPolarHBondContact O-CD2 3.42Å
51	E	94.6	Very high	94.7	Very high	178 Å²	178	86.6 Å²	86.6	83%	0.832	45%	0.454	S	S	*	.			trans	-125.5	134.1	167.7	-172.6	174.6	-175.5	0	0	107.9
52	L	94.5	Very high	94.8	Very high	28 Å²	28	86.7 Å²	86.7	15%	0.147	45%	0.454	C	S	.	.			trans	-89.4	126.9	-178.4	-167.5	63.1	0	0	0	109.4	H56 L59	L52-H56 HydrophobicContact CD1-CB 3.63Å; L52-H56 WeakPolarHBondContact CD2-O 3.48Å; L52-H56 HydrophobicContact CG-CB 3.97Å; L52-L59 HydrophobicContact CD1-CB 4.14Å; L52-L59 HydrophobicContact CD1-CD2 3.74Å; L52-L59 HydrophobicContact CD1-CG 4.44Å
53	P	94.8	Very high	95	Very high	72 Å²	72	82 Å²	82	47%	0.468	44%	0.435	S	S	.	.			trans	-61.6	147.5	171.9	-24.1	35.4	0	0	0	111.7	N55 H56	P53-N55 VanDerWaalsContact CB-OD1 3.3Å; P53-N55 WeakPolarHBondContact CB-OD1 3.22Å; P53-N55 PolarHBondContact O-N 3.49Å; P53-H56 PolarHBondContact O-N 3.36Å
54	D	90.6	Very high	95.3	Very high	165 Å²	165	83.7 Å²	83.7	88%	0.882	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-52.4	-33.9	-178	-65.7	-26.8	0	0	0	113.8	H56	D54-H56 PolarHBondContact O-N 3.47Å
55	N	94.1	Very high	95.4	Very high	128 Å²	128	84.1 Å²	84.1	68%	0.684	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-80.2	1.8	-179.5	66.4	-20.2	0	0	0	114.4	P53	P53-N55 VanDerWaalsContact CB-OD1 3.3Å; P53-N55 WeakPolarHBondContact CB-OD1 3.22Å; P53-N55 PolarHBondContact O-N 3.49Å
56	H	93.1	Very high	95.5	Very high	89 Å²	89	82 Å²	82	41%	0.412	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-115.8	20	-178.4	-74.8	74.9	0	0	0	113.7	L52 P53 D54 S58 L59	L52-H56 HydrophobicContact CD1-CB 3.63Å; L52-H56 WeakPolarHBondContact CD2-O 3.48Å; L52-H56 HydrophobicContact CG-CB 3.97Å; P53-H56 PolarHBondContact O-N 3.36Å; D54-H56 PolarHBondContact O-N 3.47Å; H56-S58 PolarHBondContact O-N 2.79Å; H56-L59 HydrophobicContact CB-CB 4.4Å; H56-L59 VanDerWaalsContact O-CB 3.22Å; H56-L59 WeakPolarHBondContact O-CB 3.42Å; H56-L59 PolarHBondContact O-N 2.75Å
57	S	89.1	Confident	95.6	Very high	86 Å²	86	80.3 Å²	80.3	60%	0.601	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-22.5	-178.7	59.7	0	0	0	0	115.6	K90	S57-K90 WeakPolarHBondContact O-CE 3.41Å; S57-K90 PolarHBondContact O-NZ 2.53Å
58	S	93.6	Very high	95.6	Very high	106 Å²	106	83.8 Å²	83.8	74%	0.741	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.9	174.8	61.5	0	0	0	0	114	H56	H56-S58 PolarHBondContact O-N 2.79Å
59	L	97.2	Very high	95.8	Very high	76 Å²	76	80.9 Å²	80.9	40%	0.398	44%	0.435	S	S	.	.			trans	-63.9	136.4	-179.4	-176.8	64.4	0	0	0	110.3	L52 H56 Y61 K90	L52-L59 HydrophobicContact CD1-CB 4.14Å; L52-L59 HydrophobicContact CD1-CD2 3.74Å; L52-L59 HydrophobicContact CD1-CG 4.44Å; H56-L59 HydrophobicContact CB-CB 4.4Å; H56-L59 VanDerWaalsContact O-CB 3.22Å; H56-L59 WeakPolarHBondContact O-CB 3.42Å; H56-L59 PolarHBondContact O-N 2.75Å; L59-Y61 HydrophobicContact CD2-CD2 4.35Å; L59-K90 WeakPolarHBondContact O-CE 3.34Å; L59-K90 PolarHBondContact O-NZ 2.89Å
60	I	97.8	Very high	96	Very high	58 Å²	58	75.7 Å²	75.7	30%	0.297	41%	0.409	S	S	.	.			trans	-109.3	95	168.8	-57.5	172.3	0	0	0	105.5	S62 N63 F84	I60-S62 VanDerWaalsContact C-N 3.33Å; I60-S62 PolarHBondContact O-N 3.07Å; I60-N63 HydrophobicContact CB-CB 3.88Å; I60-N63 HydrophobicContact CG2-CB 3.66Å; I60-N63 VanDerWaalsContact O-CB 3.26Å; I60-N63 WeakPolarHBondContact O-CB 3.19Å; I60-N63 PolarHBondContact O-N 3.22Å; I60-N63 VanDerWaalsContact O-N 3.15Å; I60-F84 HydrophobicContact CG2-CB 3.99Å; I60-F84 HydrophobicContact CG2-CD1 4.12Å; I60-F84 HydrophobicContact CG2-CD2 3.39Å; I60-F84 HydrophobicContact CG2-CE1 4.49Å; I60-F84 HydrophobicContact CG2-CE2 3.88Å; I60-F84 HydrophobicContact CG2-CG 3.56Å; I60-F84 HydrophobicContact CG2-CZ 4.42Å
61	Y	98.1	Very high	96	Very high	116 Å²	116	75.3 Å²	75.3	46%	0.455	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-45.2	-168.6	-173.1	-91.3	0	0	0	111.7	L46 V47 V50 L59 N63 L89	L46-Y61 WeakPolarHBondContact O-CE1 3.48Å; V47-Y61 HydrophobicContact CG1-CD1 3.87Å; V47-Y61 HydrophobicContact CG1-CE1 4.43Å; V50-Y61 HydrophobicContact CG1-CD2 3.93Å; V50-Y61 HydrophobicContact CG1-CE1 4.34Å; V50-Y61 HydrophobicContact CG1-CE2 3.73Å; V50-Y61 HydrophobicContact CG1-CG 4.32Å; V50-Y61 HydrophobicContact CG2-CE1 3.89Å; V50-Y61 HydrophobicContact CG2-CE2 4.32Å; L59-Y61 HydrophobicContact CD2-CD2 4.35Å; Y61-N63 VanDerWaalsContact C-N 3.31Å; Y61-N63 PolarHBondContact O-N 3.46Å; Y61-L89 HydrophobicContact CD1-CD1 4.18Å; Y61-L89 HydrophobicContact CD2-CD1 4.48Å; Y61-L89 HydrophobicContact CG-CD1 3.83Å
62	S	98	Very high	96.1	Very high	2 Å²	2	69.7 Å²	69.7	1%	0.014	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	21.9	-178.9	-63.5	0	0	0	0	113.5	N44 I60 L64 L65 F84	N44-S62 PolarHBondContact ND2-OG 2.88Å; I60-S62 VanDerWaalsContact C-N 3.33Å; I60-S62 PolarHBondContact O-N 3.07Å; S62-L64 PolarHBondContact O-N 3.37Å; S62-L65 WeakPolarHBondContact O-CB 3.44Å; S62-L65 WeakPolarHBondContact O-CG 3.4Å; S62-L65 PolarHBondContact O-N 2.87Å; S62-F84 WeakPolarHBondContact O-CE2 3.43Å; S62-F84 WeakPolarHBondContact O-CZ 3.46Å
63	N	98.1	Very high	96.2	Very high	69 Å²	69	70.6 Å²	70.6	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-18.5	-178.7	-160.1	29.9	0	0	0	113.4	I60 Y61 L65 C66 G67	I60-N63 HydrophobicContact CB-CB 3.88Å; I60-N63 HydrophobicContact CG2-CB 3.66Å; I60-N63 VanDerWaalsContact O-CB 3.26Å; I60-N63 WeakPolarHBondContact O-CB 3.19Å; I60-N63 PolarHBondContact O-N 3.22Å; I60-N63 VanDerWaalsContact O-N 3.15Å; Y61-N63 VanDerWaalsContact C-N 3.31Å; Y61-N63 PolarHBondContact O-N 3.46Å; N63-L65 PolarHBondContact O-N 2.95Å; N63-C66 WeakPolarHBondContact O-CB 3.34Å; N63-C66 PolarHBondContact O-N 2.87Å; N63-C66 VanDerWaalsContact O-N 3.08Å; N63-G67 PolarHBondContact O-N 3.33Å
64	L	98.1	Very high	96.2	Very high	124 Å²	124	72.9 Å²	72.9	65%	0.649	41%	0.407	S	S	*	.	H	α-helix	trans	-50.1	-39.6	168.4	179.2	65.9	0	0	0	111.5	S62 C66 G67 V68	S62-L64 PolarHBondContact O-N 3.37Å; L64-C66 VanDerWaalsContact C-N 3.32Å; L64-C66 PolarHBondContact O-N 3.17Å; L64-G67 WeakPolarHBondContact O-CA 3.32Å; L64-G67 PolarHBondContact O-N 3.06Å; L64-G67 VanDerWaalsContact O-N 3.07Å; L64-V68 HydrophobicContact CD1-CG2 4.39Å; L64-V68 HydrophobicContact CG-CG2 4.34Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.34Å
65	L	97.8	Very high	96.4	Very high	15 Å²	15	72.7 Å²	72.7	8%	0.079	40%	0.403	C	S	.	.	H	α-helix	trans	-60.3	-41.1	178.9	-61.8	-178	0	0	0	111.9	L21 L41 L46 S62 N63 G67 V68 L69 I97	L21-L65 HydrophobicContact CD1-CD2 3.76Å; L41-L65 HydrophobicContact CD2-CD1 4.15Å; L46-L65 HydrophobicContact CD1-CD1 4.16Å; L46-L65 HydrophobicContact CD1-CD2 3.89Å; L46-L65 HydrophobicContact CD1-CG 4.03Å; S62-L65 WeakPolarHBondContact O-CB 3.44Å; S62-L65 WeakPolarHBondContact O-CG 3.4Å; S62-L65 PolarHBondContact O-N 2.87Å; N63-L65 PolarHBondContact O-N 2.95Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 2.84Å; L65-V68 PolarHBondContact O-N 2.96Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 WeakPolarHBondContact O-CD1 3.41Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.82Å; L65-I97 HydrophobicContact CB-CD1 4Å; L65-I97 HydrophobicContact CD1-CD1 4.27Å
66	C	98.3	Very high	96.5	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-64.2	-39.1	175.3	-66.1	0	0	0	0	111.6	N63 L64 R70 A82 F84	N63-C66 WeakPolarHBondContact O-CB 3.34Å; N63-C66 PolarHBondContact O-N 2.87Å; N63-C66 VanDerWaalsContact O-N 3.08Å; L64-C66 VanDerWaalsContact C-N 3.32Å; L64-C66 PolarHBondContact O-N 3.17Å; C66-R70 WeakPolarHBondContact O-CG 3.12Å; C66-R70 PolarHBondContact O-N 3.02Å; C66-R70 PolarHBondContact O-NH1 3.26Å; C66-A82 HydrophobicContact CB-CB 3.9Å; C66-A82 WeakPolarHBondContact CB-O 3.29Å; C66-F84 WeakPolarHBondContact SG-CD2 3.37Å; C66-F84 VanDerWaalsContact SG-CE2 3.51Å
67	G	98.2	Very high	96.5	Very high	29 Å²	29	70.8 Å²	70.8	30%	0.299	40%	0.396	S	S	.	.	H	α-helix	trans	-61.6	-48.2	173.7	0	0	0	0	0	112.8	N63 L64 L65 L69 R70 G71	N63-G67 PolarHBondContact O-N 3.33Å; L64-G67 WeakPolarHBondContact O-CA 3.32Å; L64-G67 PolarHBondContact O-N 3.06Å; L64-G67 VanDerWaalsContact O-N 3.07Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 2.84Å; G67-L69 PolarHBondContact O-N 2.97Å; G67-R70 PolarHBondContact O-N 2.83Å; G67-G71 PolarHBondContact O-N 2.86Å
68	V	98.1	Very high	96.9	Very high	87 Å²	87	69.8 Å²	69.8	53%	0.527	38%	0.382	S	S	.	.	H	α-helix	trans	-61	-45.1	178.1	171.4	0	0	0	0	111.1	L64 L65 G71 A72	L64-V68 HydrophobicContact CD1-CG2 4.39Å; L64-V68 HydrophobicContact CG-CG2 4.34Å; L64-V68 WeakPolarHBondContact O-CG2 3.3Å; L64-V68 PolarHBondContact O-N 3.34Å; L65-V68 PolarHBondContact O-N 2.96Å; V68-G71 PolarHBondContact O-N 2.92Å; V68-A72 WeakPolarHBondContact O-CB 3.18Å; V68-A72 PolarHBondContact O-N 3.04Å
69	L	97.4	Very high	97	Very high	29 Å²	29	65.6 Å²	65.6	15%	0.152	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-46.2	178.5	-72.7	165.7	0	0	0	111.8	F17 L39 L65 G67 L73 A82 I97 M99	F17-L69 HydrophobicContact CE2-CD2 4.11Å; F17-L69 HydrophobicContact CZ-CD1 4.4Å; F17-L69 HydrophobicContact CZ-CD2 4.32Å; L39-L69 HydrophobicContact CD1-CD1 4.09Å; L39-L69 HydrophobicContact CD1-CD2 4.49Å; L65-L69 WeakPolarHBondContact O-CB 3.37Å; L65-L69 WeakPolarHBondContact O-CD1 3.41Å; L65-L69 WeakPolarHBondContact O-CG 3.46Å; L65-L69 PolarHBondContact O-N 2.82Å; G67-L69 PolarHBondContact O-N 2.97Å; L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CD1 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.46Å; L69-L73 PolarHBondContact O-N 3.21Å; L69-L73 VanDerWaalsContact O-N 3.12Å; L69-A82 HydrophobicContact CB-CB 4.24Å; L69-A82 HydrophobicContact CD1-CB 4.47Å; L69-I97 HydrophobicContact CD1-CD1 4.3Å; L69-I97 HydrophobicContact CD1-CG2 4.16Å; L69-M99 HydrophobicContact CB-CE 4.11Å; L69-M99 HydrophobicContact CB-SD 4.39Å; L69-M99 HydrophobicContact CD1-CE 4.5Å; L69-M99 HydrophobicContact CD1-SD 3.84Å
70	R	98.1	Very high	97.1	Very high	92 Å²	92	63 Å²	63	35%	0.347	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-53.1	177	-71.5	-172.6	-53	-95.1	-1.1	111.4	C66 G67 A72 L73 E74 V80 A82	C66-R70 WeakPolarHBondContact O-CG 3.12Å; C66-R70 PolarHBondContact O-N 3.02Å; C66-R70 PolarHBondContact O-NH1 3.26Å; G67-R70 PolarHBondContact O-N 2.83Å; R70-A72 PolarHBondContact O-N 2.6Å; R70-L73 PolarHBondContact O-N 3.39Å; R70-E74 VanDerWaalsContact O-CB 3.32Å; R70-E74 WeakPolarHBondContact O-CB 3.35Å; R70-E74 PolarHBondContact O-N 3.19Å; R70-V80 HydrophobicContact CG-CG2 4.19Å; R70-A82 HydrophobicContact CG-CB 4.06Å; R70-A82 PolarHBondContact NH1-O 3.04Å; R70-A82 VanDerWaalsContact NH1-O 3.15Å
71	G	97.4	Very high	97.1	Very high	33 Å²	33	63.1 Å²	63.1	34%	0.34	34%	0.34	S	S	.	.	H	α-helix	trans	-61.4	-43	-178.2	0	0	0	0	0	112.5	G67 V68 L73 E74 M75	G67-G71 PolarHBondContact O-N 2.86Å; V68-G71 PolarHBondContact O-N 2.92Å; G71-L73 VanDerWaalsContact C-N 3.35Å; G71-L73 PolarHBondContact O-N 2.92Å; G71-E74 PolarHBondContact O-N 2.94Å; G71-M75 WeakPolarHBondContact O-CG 3.43Å; G71-M75 PolarHBondContact O-N 3.05Å; G71-M75 VanDerWaalsContact O-N 3.11Å
72	A	96.1	Very high	97.1	Very high	60 Å²	60	57.8 Å²	57.8	50%	0.496	32%	0.32	S	S	.	.	H	α-helix	trans	-63.9	-39.1	178.4	0	0	0	0	0	112.6	V68 R70	V68-A72 WeakPolarHBondContact O-CB 3.18Å; V68-A72 PolarHBondContact O-N 3.04Å; R70-A72 PolarHBondContact O-N 2.6Å
73	L	95.9	Very high	97.2	Very high	46 Å²	46	61.7 Å²	61.7	24%	0.241	34%	0.337	C	S	.	.	H	α-helix	trans	-76.1	-31.9	178.6	-70.4	167.1	0	0	0	112	L69 R70 G71 M75 V76 Q77 M78 V80 M99	L69-L73 WeakPolarHBondContact O-CB 3.44Å; L69-L73 WeakPolarHBondContact O-CD1 3.35Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.46Å; L69-L73 PolarHBondContact O-N 3.21Å; L69-L73 VanDerWaalsContact O-N 3.12Å; R70-L73 PolarHBondContact O-N 3.39Å; G71-L73 VanDerWaalsContact C-N 3.35Å; G71-L73 PolarHBondContact O-N 2.92Å; L73-M75 VanDerWaalsContact C-N 3.34Å; L73-M75 PolarHBondContact O-N 3.08Å; L73-V76 HydrophobicContact CD2-CG2 4.39Å; L73-V76 CarbonylContact O-C 3.47Å; L73-V76 WeakPolarHBondContact O-CG2 3.41Å; L73-V76 PolarHBondContact O-N 3.38Å; L73-V76 VanDerWaalsContact O-N 3.15Å; L73-Q77 PolarHBondContact O-N 3.11Å; L73-M78 CarbonylContact C-O 3.55Å; L73-M78 HydrophobicContact CB-CB 4.27Å; L73-M78 HydrophobicContact CD2-CE 3.42Å; L73-M78 VanDerWaalsContact CD2-CE 3.42Å; L73-M78 WeakPolarHBondContact O-CA 3.41Å; L73-M78 WeakPolarHBondContact O-CB 3.25Å; L73-M78 PolarHBondContact O-N 3.15Å; L73-V80 HydrophobicContact CB-CG1 4.27Å; L73-V80 HydrophobicContact CB-CG2 3.97Å; L73-V80 HydrophobicContact CD1-CB 4.41Å; L73-V80 HydrophobicContact CD1-CG1 4.03Å; L73-V80 HydrophobicContact CD1-CG2 3.66Å; L73-V80 HydrophobicContact CG-CG2 4.44Å; L73-M99 HydrophobicContact CD1-CE 3.68Å
74	E	96.3	Very high	97.2	Very high	120 Å²	120	59.7 Å²	59.7	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-61.6	-41.4	172.9	-173.1	173.6	157.5	0	0	111.7	R70 G71 V76 Q77 M78 I105	R70-E74 VanDerWaalsContact O-CB 3.32Å; R70-E74 WeakPolarHBondContact O-CB 3.35Å; R70-E74 PolarHBondContact O-N 3.19Å; G71-E74 PolarHBondContact O-N 2.94Å; E74-V76 PolarHBondContact O-N 3.03Å; E74-V76 VanDerWaalsContact O-N 3.1Å; E74-Q77 PolarHBondContact O-N 3.38Å; E74-M78 PolarHBondContact N-O 3.24Å; E74-I105 HydrophobicContact CB-CD1 4.48Å; E74-I105 HydrophobicContact CG-CD1 3.73Å
75	M	94.9	Very high	97.2	Very high	162 Å²	162	57.6 Å²	57.6	80%	0.798	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.3	175.9	-67.9	-56.3	-60.4	0	0	114.3	G71 L73	G71-M75 WeakPolarHBondContact O-CG 3.43Å; G71-M75 PolarHBondContact O-N 3.05Å; G71-M75 VanDerWaalsContact O-N 3.11Å; L73-M75 VanDerWaalsContact C-N 3.34Å; L73-M75 PolarHBondContact O-N 3.08Å
76	V	94.6	Very high	97.2	Very high	84 Å²	84	59.9 Å²	59.9	51%	0.509	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	31.8	172.8	-63.1	0	0	0	0	111.2	L73 E74 M78	L73-V76 HydrophobicContact CD2-CG2 4.39Å; L73-V76 CarbonylContact O-C 3.47Å; L73-V76 WeakPolarHBondContact O-CG2 3.41Å; L73-V76 PolarHBondContact O-N 3.38Å; L73-V76 VanDerWaalsContact O-N 3.15Å; E74-V76 PolarHBondContact O-N 3.03Å; E74-V76 VanDerWaalsContact O-N 3.1Å; V76-M78 VanDerWaalsContact C-N 3.27Å; V76-M78 HydrophobicContact CG2-CE 3.47Å; V76-M78 VanDerWaalsContact CG2-CE 3.47Å; V76-M78 PolarHBondContact O-N 2.89Å
77	Q	94.3	Very high	97.1	Very high	93 Å²	93	60 Å²	60	44%	0.435	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	29	170.8	-59	156.8	-39.2	0	0	114.1	L73 E74 R104 I105 D107	L73-Q77 PolarHBondContact O-N 3.11Å; E74-Q77 PolarHBondContact O-N 3.38Å; Q77-R104 WeakPolarHBondContact O-CA 3.45Å; Q77-I105 HydrophobicContact CB-CB 4.27Å; Q77-I105 PolarHBondContact O-N 2.83Å; Q77-D107 PolarHBondContact NE2-OD2 3.15Å
78	M	96.2	Very high	97.1	Very high	65 Å²	65	61.1 Å²	61.1	32%	0.32	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	107.9	174.6	-68.1	-173.9	-75.6	0	0	110.2	L73 E74 V76 V80 F101	L73-M78 CarbonylContact C-O 3.55Å; L73-M78 HydrophobicContact CB-CB 4.27Å; L73-M78 HydrophobicContact CD2-CE 3.42Å; L73-M78 VanDerWaalsContact CD2-CE 3.42Å; L73-M78 WeakPolarHBondContact O-CA 3.41Å; L73-M78 WeakPolarHBondContact O-CB 3.25Å; L73-M78 PolarHBondContact O-N 3.15Å; E74-M78 PolarHBondContact N-O 3.24Å; V76-M78 VanDerWaalsContact C-N 3.27Å; V76-M78 HydrophobicContact CG2-CE 3.47Å; V76-M78 VanDerWaalsContact CG2-CE 3.47Å; V76-M78 PolarHBondContact O-N 2.89Å; M78-V80 HydrophobicContact CB-CG1 4.29Å; M78-V80 PolarHBondContact O-N 2.6Å; M78-F101 HydrophobicContact CG-CE2 4.46Å
79	A	97.3	Very high	96.9	Very high	18 Å²	18	58.4 Å²	58.4	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.9	168.9	0	0	0	0	0	108.6	I102 R103 I105	A79-I102 HydrophobicContact CB-CB 4.31Å; A79-I102 WeakPolarHBondContact O-CB 3.4Å; A79-I102 PolarHBondContact O-N 3.49Å; A79-R103 HydrophobicContact CB-CG 3.82Å; A79-R103 WeakPolarHBondContact CB-O 3.44Å; A79-R103 PolarHBondContact N-O 2.86Å; A79-R103 PolarHBondContact O-N 3.46Å; A79-I105 HydrophobicContact CB-CD1 4.19Å; A79-I105 HydrophobicContact CB-CG1 3.99Å
80	V	98.2	Very high	96.8	Very high	20 Å²	20	61.2 Å²	61.2	12%	0.121	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.1	-179.9	-54.7	0	0	0	0	111.1	R70 L73 M78 M99 R100 F101	R70-V80 HydrophobicContact CG-CG2 4.19Å; L73-V80 HydrophobicContact CB-CG1 4.27Å; L73-V80 HydrophobicContact CB-CG2 3.97Å; L73-V80 HydrophobicContact CD1-CB 4.41Å; L73-V80 HydrophobicContact CD1-CG1 4.03Å; L73-V80 HydrophobicContact CD1-CG2 3.66Å; L73-V80 HydrophobicContact CG-CG2 4.44Å; M78-V80 HydrophobicContact CB-CG1 4.29Å; M78-V80 PolarHBondContact O-N 2.6Å; V80-M99 HydrophobicContact CG2-CE 4.13Å; V80-R100 CarbonylContact C-O 3.18Å; V80-R100 WeakPolarHBondContact CA-O 2.89Å; V80-R100 WeakPolarHBondContact CB-O 3.22Å; V80-F101 HydrophobicContact CG1-CD2 4.49Å
81	E	98.5	Very high	96.6	Very high	61 Å²	61	60.1 Å²	60.1	29%	0.285	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140	162.6	-173.8	-177.9	166.4	0	0	109.3	M99 R100 I102	E81-M99 WeakPolarHBondContact O-CA 3.33Å; E81-R100 HydrophobicContact CB-CB 4.28Å; E81-R100 VanDerWaalsContact CD-NH2 3.35Å; E81-R100 PolarHBondContact N-O 2.88Å; E81-R100 PolarHBondContact O-N 3.38Å; E81-R100 IonicContact OE1-NH2 3.38Å; E81-R100 PolarHBondContact OE1-NH2 3.3Å; E81-R100 IonicContact OE2-CZ 2.98Å; E81-R100 IonicContact OE2-NE 2.84Å; E81-R100 PolarHBondContact OE2-NE 2.82Å; E81-R100 IonicContact OE2-NH2 3.34Å; E81-R100 PolarHBondContact OE2-NH2 2.96Å; E81-I102 HydrophobicContact CB-CD1 4.22Å
82	A	98.4	Very high	96.6	Very high	4 Å²	4	61.5 Å²	61.5	3%	0.033	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	124.3	171.9	0	0	0	0	0	107.5	C66 L69 R70 I97 R98 M99	C66-A82 HydrophobicContact CB-CB 3.9Å; C66-A82 WeakPolarHBondContact CB-O 3.29Å; L69-A82 HydrophobicContact CB-CB 4.24Å; L69-A82 HydrophobicContact CD1-CB 4.47Å; R70-A82 HydrophobicContact CG-CB 4.06Å; R70-A82 PolarHBondContact NH1-O 3.04Å; R70-A82 VanDerWaalsContact NH1-O 3.15Å; A82-I97 HydrophobicContact CB-CG2 4.25Å; A82-R98 WeakPolarHBondContact CA-O 3.44Å; A82-M99 HydrophobicContact CB-CE 4.16Å; A82-M99 HydrophobicContact CB-SD 3.51Å; A82-M99 VanDerWaalsContact CB-SD 3.51Å
83	K	98.4	Very high	96.5	Very high	84 Å²	84	62.2 Å²	62.2	37%	0.365	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.5	-179	65.7	-178.3	178.9	-173.1	0	111.6	V85 I97 R98	K83-V85 HydrophobicContact CG-CG2 4.4Å; K83-I97 CarbonylContact O-C 3.56Å; K83-I97 WeakPolarHBondContact O-CA 3.44Å; K83-R98 HydrophobicContact CG-CB 3.95Å; K83-R98 PolarHBondContact N-O 3.1Å; K83-R98 PolarHBondContact O-N 3.12Å
84	F	98.3	Very high	96.6	Very high	28 Å²	28	61.9 Å²	61.9	12%	0.123	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.1	168.2	-82.3	-107.7	0	0	0	109.8	I60 S62 C66 D87 T95 E96 I97	I60-F84 HydrophobicContact CG2-CB 3.99Å; I60-F84 HydrophobicContact CG2-CD1 4.12Å; I60-F84 HydrophobicContact CG2-CD2 3.39Å; I60-F84 HydrophobicContact CG2-CE1 4.49Å; I60-F84 HydrophobicContact CG2-CE2 3.88Å; I60-F84 HydrophobicContact CG2-CG 3.56Å; I60-F84 HydrophobicContact CG2-CZ 4.42Å; S62-F84 WeakPolarHBondContact O-CE2 3.43Å; S62-F84 WeakPolarHBondContact O-CZ 3.46Å; C66-F84 WeakPolarHBondContact SG-CD2 3.37Å; C66-F84 VanDerWaalsContact SG-CE2 3.51Å; F84-D87 HydrophobicContact CD1-CB 4.32Å; F84-T95 HydrophobicContact CD1-CG2 4.14Å; F84-T95 HydrophobicContact CE1-CG2 3.48Å; F84-T95 VanDerWaalsContact CE1-CG2 3.48Å; F84-T95 HydrophobicContact CZ-CG2 4.28Å; F84-E96 WeakPolarHBondContact CA-O 3.47Å; F84-I97 HydrophobicContact CD2-CG1 4.25Å; F84-I97 HydrophobicContact CE1-CG1 4.31Å; F84-I97 HydrophobicContact CE2-CD1 4Å; F84-I97 HydrophobicContact CE2-CG1 3.98Å; F84-I97 HydrophobicContact CZ-CD1 3.96Å; F84-I97 HydrophobicContact CZ-CG1 4Å
85	V	97.9	Very high	96.7	Very high	80 Å²	80	56.2 Å²	56.2	49%	0.485	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-33.4	171.8	-178.4	0	0	0	0	110.7	K83 E96 R98	K83-V85 HydrophobicContact CG-CG2 4.4Å; V85-E96 HydrophobicContact CB-CB 4.5Å; V85-E96 HydrophobicContact CB-CG 4.19Å; V85-E96 PolarHBondContact N-O 2.79Å; V85-R98 HydrophobicContact CG2-CB 3.49Å; V85-R98 VanDerWaalsContact CG2-CB 3.49Å; V85-R98 HydrophobicContact CG2-CG 4.44Å
86	Q	97.9	Very high	96.8	Very high	62 Å²	62	49.3 Å²	49.3	29%	0.29	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.5	173.4	-56.7	-164.4	-83.3	0	0	110.1	D92 V94 T95 E96	Q86-D92 WeakPolarHBondContact CA-OD2 3.11Å; Q86-D92 HydrophobicContact CB-CB 3.84Å; Q86-V94 CarbonylContact C-O 3.15Å; Q86-V94 VanDerWaalsContact CB-O 3.3Å; Q86-V94 WeakPolarHBondContact CB-O 3.37Å; Q86-T95 WeakPolarHBondContact O-CA 3.26Å; Q86-E96 HydrophobicContact CB-CB 3.85Å; Q86-E96 HydrophobicContact CG-CB 4.09Å; Q86-E96 PolarHBondContact O-N 3.35Å; Q86-E96 PolarHBondContact OE1-OE2 3.44Å
87	D	97.4	Very high	97	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	27%	0.268	C	S	.	.			trans	-143.3	120.2	-179.3	-168.1	-11.6	0	0	0	110.7	F84 L89 K90 G91 D92	F84-D87 HydrophobicContact CD1-CB 4.32Å; D87-L89 PolarHBondContact O-N 2.71Å; D87-L89 PolarHBondContact OD1-N 2.98Å; D87-L89 VanDerWaalsContact OD1-N 3.12Å; D87-K90 HydrophobicContact CB-CB 4.31Å; D87-K90 HydrophobicContact CB-CD 4.16Å; D87-K90 HydrophobicContact CB-CG 3.99Å; D87-K90 WeakPolarHBondContact O-CA 3.47Å; D87-K90 WeakPolarHBondContact O-CB 3.28Å; D87-K90 PolarHBondContact O-N 3.08Å; D87-G91 PolarHBondContact O-N 2.98Å; D87-D92 PolarHBondContact N-OD2 3.43Å; D87-D92 WeakPolarHBondContact O-CB 3.47Å; D87-D92 PolarHBondContact O-N 2.94Å
88	T	96.7	Very high	97.2	Very high	52 Å²	52	42.8 Å²	42.8	32%	0.319	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-60.7	-28.9	179.2	55.3	0	0	0	0	112.4	K90 G91 D92	T88-K90 PolarHBondContact O-N 2.9Å; T88-G91 PolarHBondContact O-N 2.99Å; T88-G91 VanDerWaalsContact O-N 3.1Å; T88-D92 WeakPolarHBondContact CA-O 3.35Å
89	L	95.8	Very high	97.3	Very high	30 Å²	30	40 Å²	40	16%	0.157	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.7	-14.2	173.6	-73.2	-176	0	0	0	113.7	V47 V50 Y61 D87	V47-L89 HydrophobicContact CB-CD1 3.89Å; V47-L89 HydrophobicContact CB-CD2 3.99Å; V47-L89 HydrophobicContact CB-CG 3.86Å; V47-L89 HydrophobicContact CG1-CD1 3.48Å; V47-L89 VanDerWaalsContact CG1-CD1 3.48Å; V47-L89 HydrophobicContact CG1-CD2 4.5Å; V47-L89 HydrophobicContact CG1-CG 3.87Å; V47-L89 HydrophobicContact CG2-CG 4.36Å; V50-L89 HydrophobicContact CB-CD1 4.26Å; V50-L89 HydrophobicContact CB-CD2 4.1Å; V50-L89 HydrophobicContact CG1-CD1 3.76Å; V50-L89 HydrophobicContact CG1-CD2 4.12Å; V50-L89 WeakPolarHBondContact O-CD2 3.42Å; Y61-L89 HydrophobicContact CD1-CD1 4.18Å; Y61-L89 HydrophobicContact CD2-CD1 4.48Å; Y61-L89 HydrophobicContact CG-CD1 3.83Å; D87-L89 PolarHBondContact O-N 2.71Å; D87-L89 PolarHBondContact OD1-N 2.98Å; D87-L89 VanDerWaalsContact OD1-N 3.12Å
90	K	95.3	Very high	97.4	Very high	87 Å²	87	43 Å²	43	38%	0.378	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-103.8	8.4	175.6	-56.9	-171.7	-173.8	-156.6	0	112.5	S57 L59 D87 T88	S57-K90 WeakPolarHBondContact O-CE 3.41Å; S57-K90 PolarHBondContact O-NZ 2.53Å; L59-K90 WeakPolarHBondContact O-CE 3.34Å; L59-K90 PolarHBondContact O-NZ 2.89Å; D87-K90 HydrophobicContact CB-CB 4.31Å; D87-K90 HydrophobicContact CB-CD 4.16Å; D87-K90 HydrophobicContact CB-CG 3.99Å; D87-K90 WeakPolarHBondContact O-CA 3.47Å; D87-K90 WeakPolarHBondContact O-CB 3.28Å; D87-K90 PolarHBondContact O-N 3.08Å; T88-K90 PolarHBondContact O-N 2.9Å
91	G	93.8	Very high	97.4	Very high	70 Å²	70	46 Å²	46	72%	0.722	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	7.6	179.1	0	0	0	0	0	114.9	D87 T88	D87-G91 PolarHBondContact O-N 2.98Å; T88-G91 PolarHBondContact O-N 2.99Å; T88-G91 VanDerWaalsContact O-N 3.1Å
92	D	95.9	Very high	97.3	Very high	62 Å²	62	47.8 Å²	47.8	33%	0.332	27%	0.27	S	S	.	.			trans	-71.8	158.1	172	-67.2	-60.9	0	0	0	111.9	Q86 D87 T88 V94	Q86-D92 WeakPolarHBondContact CA-OD2 3.11Å; Q86-D92 HydrophobicContact CB-CB 3.84Å; D87-D92 PolarHBondContact N-OD2 3.43Å; D87-D92 WeakPolarHBondContact O-CB 3.47Å; D87-D92 PolarHBondContact O-N 2.94Å; T88-D92 WeakPolarHBondContact CA-O 3.35Å; D92-V94 VanDerWaalsContact C-N 3.33Å; D92-V94 PolarHBondContact O-N 2.84Å
93	G	95.3	Very high	97.2	Very high	74 Å²	74	54.2 Å²	54.2	76%	0.763	29%	0.293	S	S	*	.	S	Bend	trans	-72.7	-22.5	-178.5	0	0	0	0	0	114.9
94	V	96.8	Very high	97.1	Very high	39 Å²	39	59.4 Å²	59.4	24%	0.236	31%	0.311	C	S	.	.	S	Bend	trans	-148.2	161.8	179.9	-66.8	0	0	0	0	109.9	I40 Q86 D92	I40-V94 HydrophobicContact CG2-CB 3.95Å; I40-V94 HydrophobicContact CG2-CG1 4.11Å; I40-V94 HydrophobicContact CG2-CG2 3.97Å; Q86-V94 CarbonylContact C-O 3.15Å; Q86-V94 VanDerWaalsContact CB-O 3.3Å; Q86-V94 WeakPolarHBondContact CB-O 3.37Å; D92-V94 VanDerWaalsContact C-N 3.33Å; D92-V94 PolarHBondContact O-N 2.84Å
95	T	98.2	Very high	96.9	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	122.3	165.1	-70.5	0	0	0	0	109.1	L41 F84 Q86	L41-T95 HydrophobicContact CB-CG2 4.12Å; L41-T95 HydrophobicContact CD2-CG2 4.35Å; L41-T95 PolarHBondContact N-O 2.92Å; L41-T95 PolarHBondContact O-N 2.93Å; F84-T95 HydrophobicContact CD1-CG2 4.14Å; F84-T95 HydrophobicContact CE1-CG2 3.48Å; F84-T95 VanDerWaalsContact CE1-CG2 3.48Å; F84-T95 HydrophobicContact CZ-CG2 4.28Å; Q86-T95 WeakPolarHBondContact O-CA 3.26Å
96	E	98.4	Very high	96.5	Very high	17 Å²	17	64.2 Å²	64.2	8%	0.079	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.1	177.2	176.9	175.9	177.1	0	0	110.9	S38 L39 I40 F84 V85 Q86	S38-E96 WeakPolarHBondContact CB-OE1 3.48Å; S38-E96 PolarHBondContact OG-OE1 3.38Å; L39-E96 WeakPolarHBondContact O-CA 3.39Å; I40-E96 HydrophobicContact CD1-CB 3.92Å; I40-E96 HydrophobicContact CD1-CG 3.71Å; F84-E96 WeakPolarHBondContact CA-O 3.47Å; V85-E96 HydrophobicContact CB-CB 4.5Å; V85-E96 HydrophobicContact CB-CG 4.19Å; V85-E96 PolarHBondContact N-O 2.79Å; Q86-E96 HydrophobicContact CB-CB 3.85Å; Q86-E96 HydrophobicContact CG-CB 4.09Å; Q86-E96 PolarHBondContact O-N 3.35Å; Q86-E96 PolarHBondContact OE1-OE2 3.44Å
97	I	98.5	Very high	95.4	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.5	168.8	-58.5	173.6	0	0	0	108.7	L39 L41 L65 L69 A82 K83 F84 M99	L39-I97 HydrophobicContact CB-CB 4.34Å; L39-I97 PolarHBondContact N-O 3.21Å; L39-I97 PolarHBondContact O-N 3.35Å; L41-I97 HydrophobicContact CD1-CD1 4.45Å; L65-I97 HydrophobicContact CB-CD1 4Å; L65-I97 HydrophobicContact CD1-CD1 4.27Å; L69-I97 HydrophobicContact CD1-CD1 4.3Å; L69-I97 HydrophobicContact CD1-CG2 4.16Å; A82-I97 HydrophobicContact CB-CG2 4.25Å; K83-I97 CarbonylContact O-C 3.56Å; K83-I97 WeakPolarHBondContact O-CA 3.44Å; F84-I97 HydrophobicContact CD2-CG1 4.25Å; F84-I97 HydrophobicContact CE1-CG1 4.31Å; F84-I97 HydrophobicContact CE2-CD1 4Å; F84-I97 HydrophobicContact CE2-CG1 3.98Å; F84-I97 HydrophobicContact CZ-CD1 3.96Å; F84-I97 HydrophobicContact CZ-CG1 4Å; I97-M99 HydrophobicContact CG2-SD 4.03Å
98	R	98.6	Very high	93.8	Very high	40 Å²	40	73.8 Å²	73.8	15%	0.151	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123	172.1	-173.9	70.7	173.9	178.8	1.7	109.8	N29 E36 S38 A82 K83 V85	N29-R98 PolarHBondContact O-NH1 3.5Å; N29-R98 PolarHBondContact O-NH2 3.25Å; E36-R98 VanDerWaalsContact CB-NH2 3.3Å; E36-R98 IonicContact OE2-CZ 3.11Å; E36-R98 IonicContact OE2-NE 3.7Å; E36-R98 PolarHBondContact OE2-NE 3.22Å; E36-R98 IonicContact OE2-NH2 3.7Å; E36-R98 PolarHBondContact OE2-NH2 2.81Å; S38-R98 WeakPolarHBondContact OG-CD 3.3Å; S38-R98 PolarHBondContact OG-NH1 2.87Å; A82-R98 WeakPolarHBondContact CA-O 3.44Å; K83-R98 HydrophobicContact CG-CB 3.95Å; K83-R98 PolarHBondContact N-O 3.1Å; K83-R98 PolarHBondContact O-N 3.12Å; V85-R98 HydrophobicContact CG2-CB 3.49Å; V85-R98 VanDerWaalsContact CG2-CB 3.49Å; V85-R98 HydrophobicContact CG2-CG 4.44Å
99	M	98.4	Very high	92.4	Very high	6 Å²	6	78.5 Å²	78.5	3%	0.03	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	132.9	175.2	-62.8	-61.1	-65.5	0	0	109.2	E36 F37 L39 L69 L73 V80 E81 A82 I97	E36-M99 CarbonylContact C-O 3.6Å; E36-M99 WeakPolarHBondContact CA-O 3.31Å; E36-M99 WeakPolarHBondContact CB-O 3.1Å; F37-M99 HydrophobicContact CD1-CB 4.11Å; F37-M99 HydrophobicContact CD2-CB 4.07Å; F37-M99 HydrophobicContact CD2-CG 4.26Å; F37-M99 HydrophobicContact CE1-CB 3.74Å; F37-M99 HydrophobicContact CE1-CG 4.41Å; F37-M99 HydrophobicContact CE2-CB 3.72Å; F37-M99 HydrophobicContact CE2-CG 3.61Å; F37-M99 HydrophobicContact CG-CB 4.27Å; F37-M99 HydrophobicContact CZ-CB 3.53Å; F37-M99 HydrophobicContact CZ-CG 3.7Å; F37-M99 PolarHBondContact N-O 2.87Å; F37-M99 PolarHBondContact O-N 3.42Å; L39-M99 HydrophobicContact CD1-CG 3.88Å; L39-M99 HydrophobicContact CD1-SD 4.25Å; L39-M99 HydrophobicContact CG-CG 4.11Å; L69-M99 HydrophobicContact CB-CE 4.11Å; L69-M99 HydrophobicContact CB-SD 4.39Å; L69-M99 HydrophobicContact CD1-CE 4.5Å; L69-M99 HydrophobicContact CD1-SD 3.84Å; L73-M99 HydrophobicContact CD1-CE 3.68Å; V80-M99 HydrophobicContact CG2-CE 4.13Å; E81-M99 WeakPolarHBondContact O-CA 3.33Å; A82-M99 HydrophobicContact CB-CE 4.16Å; A82-M99 HydrophobicContact CB-SD 3.51Å; A82-M99 VanDerWaalsContact CB-SD 3.51Å; I97-M99 HydrophobicContact CG2-SD 4.03Å
100	R	98.4	Very high	91	Very high	82 Å²	82	82.5 Å²	82.5	31%	0.309	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	125.5	173.2	164.4	169.1	41.4	-159.9	10.2	109.9	D35 E36 V80 E81	D35-R100 CarbonylContact O-C 3.54Å; D35-R100 WeakPolarHBondContact O-CA 3.44Å; E36-R100 HydrophobicContact CG-CB 3.77Å; E36-R100 HydrophobicContact CG-CG 3.92Å; E36-R100 VanDerWaalsContact OE1-CD 3.25Å; E36-R100 WeakPolarHBondContact OE1-CD 3.38Å; E36-R100 IonicContact OE1-CZ 3.1Å; E36-R100 IonicContact OE1-NE 2.86Å; E36-R100 IonicContact OE1-NH1 2.6Å; E36-R100 PolarHBondContact OE1-NH1 3.25Å; E36-R100 VanDerWaalsContact OE1-NH1 3.11Å; V80-R100 CarbonylContact C-O 3.18Å; V80-R100 WeakPolarHBondContact CA-O 2.89Å; V80-R100 WeakPolarHBondContact CB-O 3.22Å; E81-R100 HydrophobicContact CB-CB 4.28Å; E81-R100 VanDerWaalsContact CD-NH2 3.35Å; E81-R100 PolarHBondContact N-O 2.88Å; E81-R100 PolarHBondContact O-N 3.38Å; E81-R100 IonicContact OE1-NH2 3.38Å; E81-R100 PolarHBondContact OE1-NH2 3.3Å; E81-R100 IonicContact OE2-CZ 2.98Å; E81-R100 IonicContact OE2-NE 2.84Å; E81-R100 PolarHBondContact OE2-NE 2.82Å; E81-R100 IonicContact OE2-NH2 3.34Å; E81-R100 PolarHBondContact OE2-NH2 2.96Å
101	F	97.8	Very high	89.5	Confident	83 Å²	83	83.9 Å²	83.9	36%	0.364	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.9	167.3	175.8	-103.4	0	0	0	109.7	D35 M78 V80 R103 R104	D35-F101 HydrophobicContact CB-CB 4.45Å; D35-F101 WeakPolarHBondContact O-CB 3.34Å; D35-F101 PolarHBondContact O-N 2.84Å; M78-F101 HydrophobicContact CG-CE2 4.46Å; V80-F101 HydrophobicContact CG1-CD2 4.49Å; F101-R103 VanDerWaalsContact CE2-C 3.46Å; F101-R103 WeakPolarHBondContact CE2-O 3.37Å; F101-R104 HydrophobicContact CE2-CG 4.29Å; F101-R104 HydrophobicContact CZ-CG 3.95Å
102	I	97.4	Very high	88.2	Confident	98 Å²	98	83.7 Å²	83.7	50%	0.503	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-57	179.4	-56.9	172.3	0	0	0	109.3	A79 E81	A79-I102 HydrophobicContact CB-CB 4.31Å; A79-I102 WeakPolarHBondContact O-CB 3.4Å; A79-I102 PolarHBondContact O-N 3.49Å; E81-I102 HydrophobicContact CB-CD1 4.22Å
103	R	96.8	Very high	86.2	Confident	139 Å²	139	90.3 Å²	90.3	53%	0.525	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	164.9	-178.5	60.2	179.9	-179.2	82.8	0.3	111.2	A79 F101	A79-R103 HydrophobicContact CB-CG 3.82Å; A79-R103 WeakPolarHBondContact CB-O 3.44Å; A79-R103 PolarHBondContact N-O 2.86Å; A79-R103 PolarHBondContact O-N 3.46Å; F101-R103 VanDerWaalsContact CE2-C 3.46Å; F101-R103 WeakPolarHBondContact CE2-O 3.37Å
104	R	95.8	Very high	84.1	Confident	194 Å²	194	99.7 Å²	99.7	73%	0.732	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	145.2	160.7	-68	-168.4	176.1	-177.5	-2	109.6	Q77 F101	Q77-R104 WeakPolarHBondContact O-CA 3.45Å; F101-R104 HydrophobicContact CE2-CG 4.29Å; F101-R104 HydrophobicContact CZ-CG 3.95Å
105	I	94.7	Very high	83.4	Confident	42 Å²	42	102.8 Å²	102.8	22%	0.215	53%	0.525	C	S	.	.	P	Polyproline II helix	trans	-91.5	126.5	173.3	-55.8	172.6	0	0	0	106.2	E74 Q77 A79	E74-I105 HydrophobicContact CB-CD1 4.48Å; E74-I105 HydrophobicContact CG-CD1 3.73Å; Q77-I105 HydrophobicContact CB-CB 4.27Å; Q77-I105 PolarHBondContact O-N 2.83Å; A79-I105 HydrophobicContact CB-CD1 4.19Å; A79-I105 HydrophobicContact CB-CG1 3.99Å
106	E	88.8	Confident	82.6	Confident	167 Å²	167	108.1 Å²	108.1	78%	0.78	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-96.3	128	176.3	-65.9	178.3	178.2	0	0	108.3	N108	E106-N108 PolarHBondContact O-N 3.03Å
107	D	75.3	Confident	81.8	Confident	111 Å²	111	113.2 Å²	113.2	59%	0.594	58%	0.578	S	S	*	*			trans	-75.9	103	173.2	-69.3	-22.7	0	0	0	108.2	Q77 L109	Q77-D107 PolarHBondContact NE2-OD2 3.15Å; D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.87Å
108	N	63.9	Low	80.8	Confident	155 Å²	155	119.8 Å²	119.8	83%	0.829	61%	0.612	S	S	*	*			trans	-79.4	86.3	171.9	-140	50.5	0	0	0	107.7	E106 P110	E106-N108 PolarHBondContact O-N 3.03Å; N108-P110 WeakPolarHBondContact O-CD 3.3Å
109	L	67	Low	79.7	Confident	151 Å²	151	124.8 Å²	124.8	79%	0.791	64%	0.641	S	S	*	*			trans	-60.4	123.9	168.2	-70	168.7	0	0	0	107.5	D107 A111	D107-L109 VanDerWaalsContact C-N 3.3Å; D107-L109 PolarHBondContact O-N 2.87Å; L109-A111 PolarHBondContact O-N 2.95Å
110	P	67	Low	78.4	Confident	115 Å²	115	132.7 Å²	132.7	75%	0.747	68%	0.682	S	S	*	*			trans	-58.9	132.6	173.1	23.5	-30.4	0	0	0	108.6	N108 G112	N108-P110 WeakPolarHBondContact O-CD 3.3Å; P110-G112 PolarHBondContact O-N 3.34Å
111	A	62.5	Low	77	Confident	115 Å²	115	136.4 Å²	136.4	95%	0.95	71%	0.709	S	S	*	*	S	Bend	trans	-63.7	102.4	176.3	0	0	0	0	0	109.1	L109	L109-A111 PolarHBondContact O-N 2.95Å
112	G	66.1	Low	75.4	Confident	66 Å²	66	140.5 Å²	140.5	68%	0.68	74%	0.735	S	S	*	*			trans	137.4	75.4	167.9	0	0	0	0	0	114.7	P110	P110-G112 PolarHBondContact O-N 3.34Å
113	E	54.7	Low	73.6	Confident	201 Å²	201	144 Å²	144	94%	0.939	75%	0.754	S	S	*	*			trans	-139.3	82.6	140.4	-70.8	-166.9	177.5	0	0	106.6
114	E	50.4	Low	71.5	Confident	272 Å²	272	144.5 Å²	144.5	100%	1.271	78%	0.775	S	S	*	*			trans	-89.1	0	152.6	-78.1	-171.9	173.6	0	0	108.7

Retrieved 114 of 114 residues in 78.7 ms (Link to these results)

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