A0A060Y5C2_ONCMY Loading...

Meiosis/spermiogenesis associated 1

Essential for spermiogenesis.

AlphaFold DB (A0A674E6N4), UniProt , Accession A0A060Y5C2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110517136, Length 93 aa.

						>A0A060Y5C2_ONCMY|A0A060Y5C2|LOC110517136
MSCAAYLDGNATPKSMSRAKQWTDEVENLYRFQQAGYRDELEYKQVKQVDLIDRWPETGFVKKLQRRDNTFYYYNRKRECEDREVHKVKVYAY
					

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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	37	Very low	51.2	Low	239 Å²	239	119.9 Å²	119.9	100%	1.177	72%	0.719	S	S	*	*				0	120.1	0	-69.7	-175.2	-165.6	0	0	107.9
2	S	42.5	Very low	54	Low	117 Å²	117	119 Å²	119	82%	0.818	71%	0.714	S	S	*	*			trans	35.4	89.6	163	55	0	0	0	0	118.5	A4	S2-A4 PolarHBondContact O-N 3.47Å; S2-A4 VanDerWaalsContact O-N 3.08Å
3	C	35.6	Very low	56.9	Low	134 Å²	134	112.4 Å²	112.4	91%	0.905	68%	0.676	S	S	*	*			trans	-70.7	90.2	157.4	17.8	0	0	0	0	108.8	A5	C3-A5 VanDerWaalsContact C-N 3.34Å; C3-A5 PolarHBondContact O-N 2.74Å; C3-A5 VanDerWaalsContact O-N 3.08Å
4	A	47.5	Very low	59.5	Low	89 Å²	89	116.3 Å²	116.3	74%	0.736	68%	0.679	S	S	*	*			trans	-70.1	97.8	160.7	0	0	0	0	0	106.7	S2 Y6	S2-A4 PolarHBondContact O-N 3.47Å; S2-A4 VanDerWaalsContact O-N 3.08Å; A4-Y6 PolarHBondContact O-N 2.63Å
5	A	49.7	Very low	61.9	Low	84 Å²	84	113.2 Å²	113.2	69%	0.694	67%	0.667	S	S	*	*			trans	-60.6	106.6	169.7	0	0	0	0	0	107.1	C3 L7	C3-A5 VanDerWaalsContact C-N 3.34Å; C3-A5 PolarHBondContact O-N 2.74Å; C3-A5 VanDerWaalsContact O-N 3.08Å; A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 2.87Å
6	Y	46.9	Very low	64	Low	224 Å²	224	111.9 Å²	111.9	88%	0.878	65%	0.654	S	S	*	*			trans	-56.8	105.1	162.8	-109.6	-99.9	0	0	0	105.6	A4 D8	A4-Y6 PolarHBondContact O-N 2.63Å; Y6-D8 PolarHBondContact O-N 3.19Å
7	L	56.5	Low	66	Low	88 Å²	88	109.4 Å²	109.4	46%	0.461	64%	0.643	S	S	.	*			trans	-66.6	106.2	167.9	-70.7	170.8	0	0	0	104.9	A5 G9 L41	A5-L7 VanDerWaalsContact C-N 3.34Å; A5-L7 PolarHBondContact O-N 2.87Å; L7-G9 PolarHBondContact O-N 3.11Å; L7-L41 HydrophobicContact CD1-CD1 3.94Å
8	D	55.5	Low	67.7	Low	132 Å²	132	110.9 Å²	110.9	71%	0.706	64%	0.636	S	S	*	*			trans	-44.3	132.3	169.6	-94.1	-46.4	0	0	0	107.7	Y6 N10 A11	Y6-D8 PolarHBondContact O-N 3.19Å; D8-N10 PolarHBondContact O-N 3.42Å; D8-A11 WeakPolarHBondContact O-CB 3.22Å; D8-A11 PolarHBondContact O-N 2.68Å
9	G	54.7	Low	69.3	Low	63 Å²	63	105.6 Å²	105.6	65%	0.649	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	11	-178.6	0	0	0	0	0	114.4	L7 Q45	L7-G9 PolarHBondContact O-N 3.11Å; G9-Q45 WeakPolarHBondContact O-CG 3.36Å; G9-Q45 PolarHBondContact O-NE2 2.97Å; G9-Q45 PolarHBondContact O-OE1 2.99Å
10	N	60.9	Low	70.6	Confident	121 Å²	121	110.9 Å²	110.9	65%	0.647	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.7	22.4	175.5	-142.4	13.3	0	0	0	111.8	D8 T12 Q45	D8-N10 PolarHBondContact O-N 3.42Å; N10-T12 PolarHBondContact O-N 2.88Å; N10-T12 VanDerWaalsContact O-N 3.1Å; N10-Q45 PolarHBondContact OD1-NE2 3.4Å
11	A	76.1	Confident	71.8	Confident	28 Å²	28	112.4 Å²	112.4	23%	0.231	63%	0.625	C	S	.	*	P	Polyproline II helix	trans	-58.1	117.5	178.8	0	0	0	0	0	109.2	D8 Y93	D8-A11 WeakPolarHBondContact O-CB 3.22Å; D8-A11 PolarHBondContact O-N 2.68Å; A11-Y93 HydrophobicContact CB-CD1 3.77Å; A11-Y93 HydrophobicContact CB-CE1 4.28Å; A11-Y93 WeakPolarHBondContact O-CE1 3.46Å
12	T	85.3	Confident	74.7	Confident	109 Å²	109	104.2 Å²	104.2	67%	0.669	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-85.3	132.1	170.7	51.6	0	0	0	0	108.5	N10 K14	N10-T12 PolarHBondContact O-N 2.88Å; N10-T12 VanDerWaalsContact O-N 3.1Å; T12-K14 PolarHBondContact O-N 3.32Å
13	P	91.9	Very high	77.3	Confident	33 Å²	33	100.8 Å²	100.8	21%	0.214	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-65.2	135	180	27.8	-33.4	0	0	0	110.1	Y91 A92 Y93	P13-Y91 HydrophobicContact CB-CD1 3.77Å; P13-Y91 HydrophobicContact CB-CG 4.18Å; P13-Y91 HydrophobicContact CG-CD1 3.7Å; P13-Y91 HydrophobicContact CG-CE1 4.34Å; P13-Y91 HydrophobicContact CG-CG 4.36Å; P13-A92 CarbonylContact C-O 3.44Å; P13-A92 WeakPolarHBondContact CA-O 3.21Å; P13-Y93 HydrophobicContact CB-CD1 4.05Å; P13-Y93 HydrophobicContact CB-CE1 3.68Å; P13-Y93 HydrophobicContact CB-CE2 4.38Å; P13-Y93 HydrophobicContact CG-CE1 4.15Å
14	K	93.4	Very high	80.2	Confident	167 Å²	167	98.8 Å²	98.8	73%	0.726	54%	0.535	S	S	*	.	S	Bend	trans	-73.5	-34.2	177.9	-67.7	177.3	-178.4	131.1	0	112.2	T12 A92 Y93	T12-K14 PolarHBondContact O-N 3.32Å; K14-A92 PolarHBondContact N-O 2.7Å; K14-Y93 VanDerWaalsContact CD-OXT 3.27Å; K14-Y93 WeakPolarHBondContact CD-OXT 3.17Å; K14-Y93 WeakPolarHBondContact CE-OXT 3.34Å; K14-Y93 WeakPolarHBondContact CG-OXT 3.21Å; K14-Y93 VanDerWaalsContact NZ-C 3.35Å; K14-Y93 PolarHBondContact NZ-O 3.02Å; K14-Y93 PolarHBondContact NZ-OXT 2.97Å
15	S	94.8	Very high	82.6	Confident	70 Å²	70	100.9 Å²	100.9	49%	0.49	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	163.8	-179.6	71	0	0	0	0	112.2	Y91 A92	S15-Y91 WeakPolarHBondContact O-CA 3.45Å; S15-A92 PolarHBondContact N-O 2.87Å; S15-A92 PolarHBondContact O-N 3.07Å
16	M	96.2	Very high	84.8	Confident	93 Å²	93	97.3 Å²	97.3	46%	0.458	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	130.1	177.2	-176.1	-80.2	-59.8	0	0	109	K89 V90 Y91	M16-K89 HydrophobicContact CG-CB 3.97Å; M16-K89 HydrophobicContact CG-CD 4.29Å; M16-K89 HydrophobicContact CG-CG 4.29Å; M16-K89 HydrophobicContact SD-CB 3.98Å; M16-K89 HydrophobicContact SD-CD 4.16Å; M16-K89 HydrophobicContact SD-CG 3.83Å; M16-V90 WeakPolarHBondContact CA-O 3.47Å; M16-Y91 HydrophobicContact CB-CD1 3.93Å; M16-Y91 HydrophobicContact CB-CE1 3.89Å; M16-Y91 HydrophobicContact CG-CD1 3.94Å; M16-Y91 HydrophobicContact CG-CE1 3.61Å
17	S	96.9	Very high	87.3	Confident	68 Å²	68	86.7 Å²	86.7	48%	0.476	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	171.5	172.2	67.5	0	0	0	0	110.3	K89 V90	S17-K89 CarbonylContact O-C 3.56Å; S17-K89 WeakPolarHBondContact O-CA 3.44Å; S17-V90 PolarHBondContact N-O 3.23Å; S17-V90 PolarHBondContact O-N 3.26Å
18	R	97.4	Very high	89.2	Confident	138 Å²	138	83.6 Å²	83.6	52%	0.521	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	140.7	175.7	-70.6	177.8	174	-75.7	-1.5	110	K20 H86 K87 V88	R18-K20 PolarHBondContact O-N 3.3Å; R18-H86 WeakPolarHBondContact CD-O 2.97Å; R18-H86 PolarHBondContact NH1-O 2.81Å; R18-K87 PolarHBondContact NH1-O 3.02Å; R18-V88 WeakPolarHBondContact CA-O 3.38Å
19	A	97.2	Very high	91.3	Very high	10 Å²	10	78.1 Å²	78.1	8%	0.083	41%	0.413	C	S	.	.			trans	-62.1	137.1	175.2	0	0	0	0	0	110.3	V26 V85 H86 V88 V90	A19-V26 HydrophobicContact CB-CB 4.41Å; A19-V26 HydrophobicContact CB-CG1 3.79Å; A19-V26 HydrophobicContact CB-CG2 3.64Å; A19-V85 HydrophobicContact CB-CG1 3.95Å; A19-H86 WeakPolarHBondContact O-CA 3.16Å; A19-V88 HydrophobicContact CB-CB 4.23Å; A19-V88 PolarHBondContact N-O 3.27Å; A19-V90 HydrophobicContact CB-CG2 4.06Å
20	K	95.6	Very high	93.3	Very high	210 Å²	210	77 Å²	77	91%	0.913	39%	0.389	S	S	*	.			trans	-99.8	-28.2	179.9	-65.1	-175.9	-179.7	179.6	0	112.9	R18	R18-K20 PolarHBondContact O-N 3.3Å
21	Q	97.1	Very high	95.1	Very high	143 Å²	143	71.3 Å²	71.3	67%	0.668	36%	0.358	S	S	*	.	S	Bend	trans	-139.8	154.7	-178.9	65.7	-174.3	1.9	0	0	109.1	T23 V85	Q21-T23 HydrophobicContact CG-CG2 4.16Å; Q21-V85 VanDerWaalsContact C-CG1 3.46Å
22	W	97.8	Very high	96.2	Very high	67 Å²	67	70.1 Å²	70.1	25%	0.254	35%	0.348	S	S	.	.			trans	-73.3	135.6	173.7	-177.1	88.2	0	0	0	110.2	D24 E27 F60 R78 C80 V85	W22-D24 VanDerWaalsContact CH2-OD1 3.3Å; W22-D24 WeakPolarHBondContact CH2-OD1 3.34Å; W22-E27 HydrophobicContact CZ2-CB 4.1Å; W22-E27 HydrophobicContact CZ2-CG 4.44Å; W22-E27 PolarHBondContact NE1-OE2 2.85Å; W22-F60 HydrophobicContact CH2-CZ 4.23Å; W22-F60 HydrophobicContact CZ2-CZ 4.05Å; W22-R78 VanDerWaalsContact CD1-NE 3.35Å; W22-R78 HydrophobicContact CZ2-CB 3.86Å; W22-R78 HydrophobicContact CZ2-CG 3.62Å; W22-C80 VanDerWaalsContact CD1-O 3.31Å; W22-V85 HydrophobicContact CB-CG2 3.78Å; W22-V85 HydrophobicContact CG-CG2 4.46Å
23	T	97.1	Very high	96.7	Very high	45 Å²	45	67.2 Å²	67.2	28%	0.276	33%	0.327	S	S	.	.			trans	-144.4	165.5	171.1	67.1	0	0	0	0	108.6	Q21 E25 V26 E27	Q21-T23 HydrophobicContact CG-CG2 4.16Å; T23-E25 PolarHBondContact O-N 2.82Å; T23-E25 PolarHBondContact OG1-N 2.92Å; T23-V26 PolarHBondContact O-N 2.88Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.49Å; T23-V26 PolarHBondContact OG1-N 3.36Å; T23-E27 PolarHBondContact O-N 2.98Å
24	D	96.7	Very high	97	Very high	92 Å²	92	69.3 Å²	69.3	49%	0.492	33%	0.334	S	S	.	.	H	α-helix	trans	-59	-31.1	175.5	-64.7	-25.2	0	0	0	112.8	W22 N28 F60	W22-D24 VanDerWaalsContact CH2-OD1 3.3Å; W22-D24 WeakPolarHBondContact CH2-OD1 3.34Å; D24-N28 PolarHBondContact O-N 3.04Å; D24-N28 PolarHBondContact O-ND2 2.94Å; D24-F60 HydrophobicContact CB-CE1 3.78Å; D24-F60 WeakPolarHBondContact OD1-CE1 3.43Å; D24-F60 WeakPolarHBondContact OD1-CZ 3.46Å
25	E	96.2	Very high	97.1	Very high	133 Å²	133	61.5 Å²	61.5	62%	0.621	30%	0.3	S	S	*	.	H	α-helix	trans	-68.5	-46.2	173.3	-173.3	-178.7	-179.8	0	0	111.3	T23 E27 N28 L29	T23-E25 PolarHBondContact O-N 2.82Å; T23-E25 PolarHBondContact OG1-N 2.92Å; E25-E27 VanDerWaalsContact C-N 3.3Å; E25-E27 PolarHBondContact O-N 3.28Å; E25-N28 PolarHBondContact O-N 2.73Å; E25-N28 VanDerWaalsContact O-N 3.16Å; E25-L29 HydrophobicContact CG-CD1 4.3Å; E25-L29 WeakPolarHBondContact O-CG 3.3Å; E25-L29 PolarHBondContact O-N 3.12Å
26	V	97.3	Very high	97.2	Very high	10 Å²	10	60 Å²	60	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-63.6	-36.5	177.5	171.2	0	0	0	0	111.4	A19 T23 L29 Y30 V85 V88	A19-V26 HydrophobicContact CB-CB 4.41Å; A19-V26 HydrophobicContact CB-CG1 3.79Å; A19-V26 HydrophobicContact CB-CG2 3.64Å; T23-V26 PolarHBondContact O-N 2.88Å; T23-V26 WeakPolarHBondContact OG1-CG2 3.49Å; T23-V26 PolarHBondContact OG1-N 3.36Å; V26-L29 PolarHBondContact O-N 2.94Å; V26-Y30 VanDerWaalsContact O-CB 3.27Å; V26-Y30 WeakPolarHBondContact O-CB 3.38Å; V26-Y30 PolarHBondContact O-N 2.95Å; V26-V85 HydrophobicContact CG1-CG1 4.45Å; V26-V88 HydrophobicContact CG1-CB 4.13Å; V26-V88 HydrophobicContact CG1-CG1 4.12Å; V26-V88 HydrophobicContact CG1-CG2 4.06Å
27	E	98.2	Very high	97.3	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-46.6	172.5	-179.8	66.2	-156	0	0	111.2	W22 T23 E25 Y30 R31 F60 E79 C80	W22-E27 HydrophobicContact CZ2-CB 4.1Å; W22-E27 HydrophobicContact CZ2-CG 4.44Å; W22-E27 PolarHBondContact NE1-OE2 2.85Å; T23-E27 PolarHBondContact O-N 2.98Å; E25-E27 VanDerWaalsContact C-N 3.3Å; E25-E27 PolarHBondContact O-N 3.28Å; E27-Y30 WeakPolarHBondContact O-CB 3.48Å; E27-Y30 PolarHBondContact O-N 3Å; E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 3.46Å; E27-R31 VanDerWaalsContact O-N 3.12Å; E27-R31 IonicContact OE1-CZ 2.68Å; E27-R31 IonicContact OE1-NE 3.36Å; E27-R31 PolarHBondContact OE1-NE 3.03Å; E27-R31 IonicContact OE1-NH2 2.88Å; E27-R31 PolarHBondContact OE1-NH2 2.73Å; E27-F60 HydrophobicContact CB-CD1 4.47Å; E27-F60 HydrophobicContact CB-CE1 4.16Å; E27-F60 HydrophobicContact CB-CZ 4.43Å; E27-F60 HydrophobicContact CG-CD1 4.01Å; E27-F60 HydrophobicContact CG-CD2 4.16Å; E27-F60 HydrophobicContact CG-CE1 3.96Å; E27-F60 HydrophobicContact CG-CE2 4.11Å; E27-F60 HydrophobicContact CG-CG 4.13Å; E27-F60 HydrophobicContact CG-CZ 4.01Å; E27-E79 PolarHBondContact OE1-N 3.44Å; E27-E79 PolarHBondContact OE2-N 3.45Å; E27-C80 WeakPolarHBondContact OE2-CB 3.36Å; E27-C80 PolarHBondContact OE2-N 3.01Å
28	N	97.8	Very high	97.2	Very high	24 Å²	24	55.5 Å²	55.5	13%	0.128	26%	0.263	C	S	.	.	H	α-helix	trans	-68.5	-41.9	178.1	-74.9	-50.7	0	0	0	112.1	D24 E25 Y30 R31 F32 F60 V61	D24-N28 PolarHBondContact O-N 3.04Å; D24-N28 PolarHBondContact O-ND2 2.94Å; E25-N28 PolarHBondContact O-N 2.73Å; E25-N28 VanDerWaalsContact O-N 3.16Å; N28-Y30 VanDerWaalsContact C-N 3.29Å; N28-Y30 PolarHBondContact O-N 3.41Å; N28-R31 PolarHBondContact O-N 3.44Å; N28-R31 VanDerWaalsContact O-N 3.14Å; N28-F32 HydrophobicContact CB-CE2 4.46Å; N28-F32 WeakPolarHBondContact O-CD2 3.09Å; N28-F32 PolarHBondContact O-N 3.05Å; N28-F60 WeakPolarHBondContact OD1-CA 3.41Å; N28-V61 HydrophobicContact CB-CG2 4.49Å; N28-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N28-V61 PolarHBondContact OD1-N 3.02Å
29	L	98.1	Very high	97.2	Very high	17 Å²	17	49.5 Å²	49.5	9%	0.089	24%	0.242	C	C	.	.	H	α-helix	trans	-58.9	-41.8	174.3	-73	173.2	0	0	0	111.7	E25 V26 R31 F32 Q33 D39 V88 V90	E25-L29 HydrophobicContact CG-CD1 4.3Å; E25-L29 WeakPolarHBondContact O-CG 3.3Å; E25-L29 PolarHBondContact O-N 3.12Å; V26-L29 PolarHBondContact O-N 2.94Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.37Å; L29-F32 PolarHBondContact O-N 3.41Å; L29-Q33 WeakPolarHBondContact O-CB 3.39Å; L29-Q33 VanDerWaalsContact O-CG 3.28Å; L29-Q33 WeakPolarHBondContact O-CG 3.35Å; L29-Q33 PolarHBondContact O-N 3.18Å; L29-D39 HydrophobicContact CD2-CB 3.81Å; L29-V88 HydrophobicContact CB-CG1 3.69Å; L29-V90 HydrophobicContact CD1-CB 4.46Å; L29-V90 HydrophobicContact CD1-CG1 4.34Å; L29-V90 HydrophobicContact CD1-CG2 4Å
30	Y	98.2	Very high	97.1	Very high	40 Å²	40	51.8 Å²	51.8	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-55.5	-49.3	173.2	169.6	-99.2	0	0	0	111.1	V26 E27 N28 F32 Q33 Q34 E79 C80 E84 V88	V26-Y30 VanDerWaalsContact O-CB 3.27Å; V26-Y30 WeakPolarHBondContact O-CB 3.38Å; V26-Y30 PolarHBondContact O-N 2.95Å; E27-Y30 WeakPolarHBondContact O-CB 3.48Å; E27-Y30 PolarHBondContact O-N 3Å; N28-Y30 VanDerWaalsContact C-N 3.29Å; N28-Y30 PolarHBondContact O-N 3.41Å; Y30-F32 PolarHBondContact O-N 2.84Å; Y30-Q33 PolarHBondContact O-N 3.05Å; Y30-Q34 VanDerWaalsContact CZ-OE1 3.26Å; Y30-Q34 WeakPolarHBondContact O-CB 3.39Å; Y30-Q34 PolarHBondContact O-N 3.44Å; Y30-Q34 PolarHBondContact OH-OE1 3.43Å; Y30-E79 HydrophobicContact CE1-CB 4.41Å; Y30-C80 HydrophobicContact CD1-CB 3.88Å; Y30-C80 HydrophobicContact CD2-CB 4.23Å; Y30-C80 HydrophobicContact CE1-CB 4.37Å; Y30-C80 HydrophobicContact CG-CB 3.8Å; Y30-E84 HydrophobicContact CE2-CB 4.29Å; Y30-E84 WeakPolarHBondContact CE2-OE2 3.44Å; Y30-E84 PolarHBondContact OH-OE2 3.48Å; Y30-V88 HydrophobicContact CD2-CG2 4.04Å; Y30-V88 HydrophobicContact CG-CG2 4.44Å
31	R	98.3	Very high	97	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.3	-46.8	179.5	-65	176.4	-171.3	-146.7	-4.2	112	E27 N28 L29 Q33 Q34 A35 V61 Y74 N75 K77	E27-R31 WeakPolarHBondContact O-CG 3.49Å; E27-R31 PolarHBondContact O-N 3.46Å; E27-R31 VanDerWaalsContact O-N 3.12Å; E27-R31 IonicContact OE1-CZ 2.68Å; E27-R31 IonicContact OE1-NE 3.36Å; E27-R31 PolarHBondContact OE1-NE 3.03Å; E27-R31 IonicContact OE1-NH2 2.88Å; E27-R31 PolarHBondContact OE1-NH2 2.73Å; N28-R31 PolarHBondContact O-N 3.44Å; N28-R31 VanDerWaalsContact O-N 3.14Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 3.37Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 3.06Å; R31-Q34 PolarHBondContact O-N 2.84Å; R31-A35 PolarHBondContact O-N 2.6Å; R31-A35 VanDerWaalsContact O-N 3.1Å; R31-V61 HydrophobicContact CB-CB 4.36Å; R31-V61 WeakPolarHBondContact CD-O 3.23Å; R31-V61 PolarHBondContact NH1-O 2.78Å; R31-Y74 HydrophobicContact CB-CD1 4.01Å; R31-Y74 HydrophobicContact CB-CD2 4.4Å; R31-Y74 HydrophobicContact CB-CE1 3.71Å; R31-Y74 HydrophobicContact CB-CE2 4.16Å; R31-Y74 HydrophobicContact CB-CG 4.34Å; R31-Y74 HydrophobicContact CG-CD1 3.51Å; R31-Y74 HydrophobicContact CG-CD2 4.41Å; R31-Y74 HydrophobicContact CG-CE1 3.7Å; R31-Y74 HydrophobicContact CG-CG 3.89Å; R31-Y74 PolarHBondContact O-OH 2.91Å; R31-N75 PolarHBondContact NH1-O 3.36Å; R31-N75 PolarHBondContact NH2-O 2.89Å; R31-K77 PolarHBondContact NH2-O 2.97Å
32	F	98.1	Very high	96.8	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.018	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-46.1	175.7	-74.9	-66.3	0	0	0	112	N28 L29 Y30 Q34 A35 G36 Y37 E40 Y43 I52 V61 L64	N28-F32 HydrophobicContact CB-CE2 4.46Å; N28-F32 WeakPolarHBondContact O-CD2 3.09Å; N28-F32 PolarHBondContact O-N 3.05Å; L29-F32 PolarHBondContact O-N 3.41Å; Y30-F32 PolarHBondContact O-N 2.84Å; F32-Q34 PolarHBondContact O-N 3.33Å; F32-A35 CarbonylContact O-C 3.54Å; F32-A35 PolarHBondContact O-N 3.02Å; F32-A35 VanDerWaalsContact O-N 3.1Å; F32-G36 PolarHBondContact O-N 2.88Å; F32-G36 VanDerWaalsContact O-N 3.15Å; F32-Y37 CarbonylContact C-O 3.54Å; F32-Y37 PolarHBondContact O-N 2.89Å; F32-E40 HydrophobicContact CE1-CB 4.32Å; F32-E40 HydrophobicContact CE2-CB 3.74Å; F32-E40 HydrophobicContact CZ-CB 3.64Å; F32-E40 HydrophobicContact CZ-CG 4.23Å; F32-Y43 HydrophobicContact CD1-CG 4.31Å; F32-Y43 HydrophobicContact CE1-CD1 4.2Å; F32-Y43 AromaticContact CE1-CG 3.97Å; F32-Y43 HydrophobicContact CE1-CG 3.97Å; F32-I52 HydrophobicContact CE1-CD1 3.78Å; F32-I52 HydrophobicContact CZ-CD1 3.57Å; F32-V61 HydrophobicContact CE1-CG2 4.46Å; F32-V61 HydrophobicContact CE2-CG2 3.75Å; F32-V61 HydrophobicContact CZ-CG2 3.68Å; F32-L64 HydrophobicContact CD1-CD1 3.59Å; F32-L64 HydrophobicContact CD1-CD2 4.09Å; F32-L64 HydrophobicContact CE1-CD1 3.96Å; F32-L64 HydrophobicContact CE1-CD2 3.64Å; F32-L64 HydrophobicContact CE1-CG 4.47Å; F32-L64 HydrophobicContact CG-CD1 4.22Å; F32-L64 HydrophobicContact CZ-CD2 4.49Å
33	Q	97.4	Very high	96.7	Very high	48 Å²	48	37.6 Å²	37.6	22%	0.224	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-36.8	-178.5	-72.7	171.5	38.1	0	0	112.4	L29 Y30 R31 A35 G36 Y37 R38 K89	L29-Q33 WeakPolarHBondContact O-CB 3.39Å; L29-Q33 VanDerWaalsContact O-CG 3.28Å; L29-Q33 WeakPolarHBondContact O-CG 3.35Å; L29-Q33 PolarHBondContact O-N 3.18Å; Y30-Q33 PolarHBondContact O-N 3.05Å; R31-Q33 VanDerWaalsContact C-N 3.34Å; R31-Q33 PolarHBondContact O-N 3.06Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 2.83Å; Q33-G36 PolarHBondContact O-N 2.78Å; Q33-G36 VanDerWaalsContact O-N 3.09Å; Q33-Y37 WeakPolarHBondContact CA-O 3.04Å; Q33-Y37 WeakPolarHBondContact CG-O 3.33Å; Q33-Y37 PolarHBondContact N-O 3.48Å; Q33-Y37 VanDerWaalsContact N-O 3.1Å; Q33-R38 PolarHBondContact NE2-O 3.23Å; Q33-R38 VanDerWaalsContact NE2-O 3.12Å; Q33-K89 PolarHBondContact NE2-O 3.09Å
34	Q	97	Very high	96.6	Very high	76 Å²	76	38.4 Å²	38.4	36%	0.355	19%	0.191	S	C	.	.	H	α-helix	trans	-62.3	-36.5	172.6	-164.7	-177.4	-47.3	0	0	111.6	Y30 R31 F32 G36 Y72	Y30-Q34 VanDerWaalsContact CZ-OE1 3.26Å; Y30-Q34 WeakPolarHBondContact O-CB 3.39Å; Y30-Q34 PolarHBondContact O-N 3.44Å; Y30-Q34 PolarHBondContact OH-OE1 3.43Å; R31-Q34 PolarHBondContact O-N 2.84Å; F32-Q34 PolarHBondContact O-N 3.33Å; Q34-G36 VanDerWaalsContact C-N 3.26Å; Q34-G36 PolarHBondContact O-N 3.43Å; Q34-Y72 HydrophobicContact CG-CD2 4.27Å; Q34-Y72 HydrophobicContact CG-CE2 3.89Å; Q34-Y72 WeakPolarHBondContact O-CE2 3.5Å
35	A	96.9	Very high	96.3	Very high	3 Å²	3	38 Å²	38	3%	0.025	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.4	175.6	0	0	0	0	0	114.4	R31 F32 Q33 Y37 L64 R66 Y72	R31-A35 PolarHBondContact O-N 2.6Å; R31-A35 VanDerWaalsContact O-N 3.1Å; F32-A35 CarbonylContact O-C 3.54Å; F32-A35 PolarHBondContact O-N 3.02Å; F32-A35 VanDerWaalsContact O-N 3.1Å; Q33-A35 VanDerWaalsContact C-N 3.27Å; Q33-A35 PolarHBondContact O-N 2.83Å; A35-Y37 HydrophobicContact CB-CD2 3.78Å; A35-Y37 HydrophobicContact CB-CE2 3.87Å; A35-Y37 WeakPolarHBondContact O-CE2 3.27Å; A35-L64 HydrophobicContact CB-CB 3.89Å; A35-L64 HydrophobicContact CB-CD1 3.73Å; A35-L64 HydrophobicContact CB-CG 4.48Å; A35-R66 HydrophobicContact CB-CG 4.25Å; A35-Y72 HydrophobicContact CB-CD2 4.41Å
36	G	96.6	Very high	96.2	Very high	38 Å²	38	34.7 Å²	34.7	39%	0.392	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	22.1	177.9	0	0	0	0	0	114.9	F32 Q33 Q34 R67	F32-G36 PolarHBondContact O-N 2.88Å; F32-G36 VanDerWaalsContact O-N 3.15Å; Q33-G36 PolarHBondContact O-N 2.78Å; Q33-G36 VanDerWaalsContact O-N 3.09Å; Q34-G36 VanDerWaalsContact C-N 3.26Å; Q34-G36 PolarHBondContact O-N 3.43Å; G36-R67 PolarHBondContact O-NE 3.37Å; G36-R67 PolarHBondContact O-NH2 3.09Å
37	Y	96.9	Very high	96	Very high	3 Å²	3	36 Å²	36	1%	0.012	18%	0.18	C	C	.	.			trans	-119.5	146.5	175.8	-50.8	-77.6	0	0	0	110.1	F32 Q33 A35 E42 Y43 V46 K47 Q65 R66 R67	F32-Y37 CarbonylContact C-O 3.54Å; F32-Y37 PolarHBondContact O-N 2.89Å; Q33-Y37 WeakPolarHBondContact CA-O 3.04Å; Q33-Y37 WeakPolarHBondContact CG-O 3.33Å; Q33-Y37 PolarHBondContact N-O 3.48Å; Q33-Y37 VanDerWaalsContact N-O 3.1Å; A35-Y37 HydrophobicContact CB-CD2 3.78Å; A35-Y37 HydrophobicContact CB-CE2 3.87Å; A35-Y37 WeakPolarHBondContact O-CE2 3.27Å; Y37-E42 HydrophobicContact CD1-CG 4.41Å; Y37-Y43 HydrophobicContact CD1-CD2 4.26Å; Y37-Y43 AromaticContact CD2-CD2 3.61Å; Y37-Y43 HydrophobicContact CD2-CD2 3.61Å; Y37-Y43 HydrophobicContact CD2-CE2 4.38Å; Y37-Y43 HydrophobicContact CD2-CG 4.5Å; Y37-Y43 HydrophobicContact CE1-CD2 4.11Å; Y37-Y43 AromaticContact CE2-CD2 3.43Å; Y37-Y43 HydrophobicContact CE2-CD2 3.43Å; Y37-Y43 VanDerWaalsContact CE2-CD2 3.43Å; Y37-Y43 AromaticContact CE2-CE2 3.82Å; Y37-Y43 HydrophobicContact CE2-CE2 3.82Å; Y37-Y43 HydrophobicContact CG-CD2 4.02Å; Y37-Y43 AromaticContact CZ-CD2 3.7Å; Y37-V46 HydrophobicContact CE1-CB 4.09Å; Y37-V46 HydrophobicContact CE1-CG1 3.96Å; Y37-V46 HydrophobicContact CE1-CG2 4.48Å; Y37-K47 WeakPolarHBondContact OH-CE 3.27Å; Y37-Q65 WeakPolarHBondContact CE2-O 3.38Å; Y37-Q65 VanDerWaalsContact CZ-O 3.31Å; Y37-Q65 PolarHBondContact OH-O 3.44Å; Y37-R66 VanDerWaalsContact OH-C 3.22Å; Y37-R66 PolarHBondContact OH-O 2.91Å; Y37-R67 HydrophobicContact CE1-CG 4.1Å; Y37-R67 PolarHBondContact OH-N 3.06Å
38	R	95.9	Very high	95.6	Very high	64 Å²	64	44.7 Å²	44.7	24%	0.242	22%	0.22	C	C	.	.	S	Bend	trans	-65.6	-43.9	178.1	-70.4	174.7	-62.7	166.4	12.3	111.5	Q33 E42 Y91	Q33-R38 PolarHBondContact NE2-O 3.23Å; Q33-R38 VanDerWaalsContact NE2-O 3.12Å; R38-E42 WeakPolarHBondContact CB-OE2 3.38Å; R38-E42 WeakPolarHBondContact CG-OE2 3.45Å; R38-E42 IonicContact CZ-OE2 2.91Å; R38-E42 PolarHBondContact N-OE2 3.15Å; R38-E42 IonicContact NE-OE1 3.89Å; R38-E42 IonicContact NE-OE2 2.77Å; R38-E42 PolarHBondContact NE-OE2 3.1Å; R38-Y91 HydrophobicContact CB-CD2 3.84Å; R38-Y91 HydrophobicContact CB-CE2 3.51Å; R38-Y91 HydrophobicContact CG-CD2 4.37Å; R38-Y91 HydrophobicContact CG-CE1 4.46Å; R38-Y91 HydrophobicContact CG-CE2 3.67Å
39	D	96.1	Very high	95.3	Very high	12 Å²	12	45.8 Å²	45.8	6%	0.064	23%	0.228	C	C	.	.	S	Bend	trans	-163.3	-172.3	-175.5	52.1	39.5	0	0	0	111.3	L29 L41 E42 Y43 Y93	L29-D39 HydrophobicContact CD2-CB 3.81Å; D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 PolarHBondContact O-N 3.1Å; D39-L41 WeakPolarHBondContact OD1-CB 3.36Å; D39-L41 PolarHBondContact OD1-N 3.36Å; D39-L41 VanDerWaalsContact OD1-N 3.08Å; D39-E42 PolarHBondContact OD1-N 3.47Å; D39-Y43 PolarHBondContact O-N 3.41Å; D39-Y93 WeakPolarHBondContact OD2-CE2 3.33Å; D39-Y93 VanDerWaalsContact OD2-CZ 3.23Å; D39-Y93 PolarHBondContact OD2-OH 3.1Å
40	E	95.2	Very high	94.8	Very high	58 Å²	58	51.6 Å²	51.6	27%	0.271	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-39.2	177	172.8	159.9	-168.3	0	0	113.3	F32 Y43 K44 I52 R54	F32-E40 HydrophobicContact CE1-CB 4.32Å; F32-E40 HydrophobicContact CE2-CB 3.74Å; F32-E40 HydrophobicContact CZ-CB 3.64Å; F32-E40 HydrophobicContact CZ-CG 4.23Å; E40-Y43 PolarHBondContact O-N 2.94Å; E40-K44 HydrophobicContact CG-CD 4.14Å; E40-K44 HydrophobicContact CG-CG 4.33Å; E40-K44 WeakPolarHBondContact O-CG 3.45Å; E40-K44 PolarHBondContact O-N 3.12Å; E40-K44 WeakPolarHBondContact OE1-CE 3.37Å; E40-K44 IonicContact OE1-NZ 3.44Å; E40-K44 PolarHBondContact OE1-NZ 2.78Å; E40-I52 HydrophobicContact CB-CD1 4.38Å; E40-I52 HydrophobicContact CG-CD1 3.63Å; E40-R54 VanDerWaalsContact CD-NH2 3.27Å; E40-R54 IonicContact OE1-NH2 3.4Å; E40-R54 PolarHBondContact OE1-NH2 3.03Å; E40-R54 IonicContact OE2-CZ 3.7Å; E40-R54 IonicContact OE2-NH2 3.77Å; E40-R54 PolarHBondContact OE2-NH2 3.21Å
41	L	93.3	Very high	94.4	Very high	73 Å²	73	57 Å²	57	38%	0.382	29%	0.29	S	S	.	.	H	α-helix	trans	-63.6	-47.5	-176.9	-64.9	172.2	0	0	0	110.3	L7 D39 Y43 K44 Q45 Y93	L7-L41 HydrophobicContact CD1-CD1 3.94Å; D39-L41 VanDerWaalsContact C-N 3.34Å; D39-L41 PolarHBondContact O-N 3.1Å; D39-L41 WeakPolarHBondContact OD1-CB 3.36Å; D39-L41 PolarHBondContact OD1-N 3.36Å; D39-L41 VanDerWaalsContact OD1-N 3.08Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-Y43 PolarHBondContact O-N 2.94Å; L41-K44 PolarHBondContact O-N 2.71Å; L41-Q45 WeakPolarHBondContact O-CB 3.28Å; L41-Q45 PolarHBondContact O-N 3.44Å; L41-Y93 HydrophobicContact CD1-CD2 4.28Å; L41-Y93 HydrophobicContact CD1-CE2 4.07Å
42	E	94.1	Very high	94.3	Very high	28 Å²	28	58 Å²	58	13%	0.131	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-39.7	177	-174.8	177.6	-168.4	0	0	111.9	Y37 R38 D39 Q45 V46 R67	Y37-E42 HydrophobicContact CD1-CG 4.41Å; R38-E42 WeakPolarHBondContact CB-OE2 3.38Å; R38-E42 WeakPolarHBondContact CG-OE2 3.45Å; R38-E42 IonicContact CZ-OE2 2.91Å; R38-E42 PolarHBondContact N-OE2 3.15Å; R38-E42 IonicContact NE-OE1 3.89Å; R38-E42 IonicContact NE-OE2 2.77Å; R38-E42 PolarHBondContact NE-OE2 3.1Å; D39-E42 PolarHBondContact OD1-N 3.47Å; E42-Q45 PolarHBondContact O-N 2.87Å; E42-V46 HydrophobicContact CG-CG2 3.98Å; E42-V46 WeakPolarHBondContact O-CB 3.08Å; E42-V46 VanDerWaalsContact O-CG2 3.26Å; E42-V46 WeakPolarHBondContact O-CG2 3.47Å; E42-V46 PolarHBondContact O-N 3.26Å; E42-R67 IonicContact OE1-CZ 3.92Å; E42-R67 IonicContact OE1-NH2 2.67Å; E42-R67 PolarHBondContact OE1-NH2 2.77Å
43	Y	95.8	Very high	94.2	Very high	21 Å²	21	61.1 Å²	61.1	8%	0.082	31%	0.312	C	S	.	.	H	α-helix	trans	-60	-48.6	177.3	179.9	-102.7	0	0	0	111.8	F32 Y37 D39 E40 L41 Q45 V46 K47 V49 I52 L64 Q65	F32-Y43 HydrophobicContact CD1-CG 4.31Å; F32-Y43 HydrophobicContact CE1-CD1 4.2Å; F32-Y43 AromaticContact CE1-CG 3.97Å; F32-Y43 HydrophobicContact CE1-CG 3.97Å; Y37-Y43 HydrophobicContact CD1-CD2 4.26Å; Y37-Y43 AromaticContact CD2-CD2 3.61Å; Y37-Y43 HydrophobicContact CD2-CD2 3.61Å; Y37-Y43 HydrophobicContact CD2-CE2 4.38Å; Y37-Y43 HydrophobicContact CD2-CG 4.5Å; Y37-Y43 HydrophobicContact CE1-CD2 4.11Å; Y37-Y43 AromaticContact CE2-CD2 3.43Å; Y37-Y43 HydrophobicContact CE2-CD2 3.43Å; Y37-Y43 VanDerWaalsContact CE2-CD2 3.43Å; Y37-Y43 AromaticContact CE2-CE2 3.82Å; Y37-Y43 HydrophobicContact CE2-CE2 3.82Å; Y37-Y43 HydrophobicContact CG-CD2 4.02Å; Y37-Y43 AromaticContact CZ-CD2 3.7Å; D39-Y43 PolarHBondContact O-N 3.41Å; E40-Y43 PolarHBondContact O-N 2.94Å; L41-Y43 VanDerWaalsContact C-N 3.34Å; L41-Y43 PolarHBondContact O-N 2.94Å; Y43-Q45 VanDerWaalsContact C-N 3.32Å; Y43-Q45 PolarHBondContact O-N 3.49Å; Y43-V46 PolarHBondContact O-N 3.47Å; Y43-K47 HydrophobicContact CD2-CG 4.07Å; Y43-K47 HydrophobicContact CE2-CB 4.47Å; Y43-K47 HydrophobicContact CE2-CG 3.68Å; Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.14Å; Y43-V49 HydrophobicContact CD1-CG2 4.07Å; Y43-V49 HydrophobicContact CE1-CG2 3.68Å; Y43-I52 HydrophobicContact CD1-CD1 3.64Å; Y43-I52 HydrophobicContact CD1-CG1 3.9Å; Y43-I52 HydrophobicContact CE1-CD1 4.22Å; Y43-I52 HydrophobicContact CE1-CG1 3.99Å; Y43-L64 HydrophobicContact CD1-CD2 4.02Å; Y43-L64 HydrophobicContact CD2-CD2 3.99Å; Y43-L64 HydrophobicContact CE1-CD2 3.77Å; Y43-L64 HydrophobicContact CE2-CB 4.2Å; Y43-L64 HydrophobicContact CE2-CD2 3.73Å; Y43-L64 HydrophobicContact CG-CD2 4.11Å; Y43-Q65 WeakPolarHBondContact CE2-O 3.18Å; Y43-Q65 PolarHBondContact OH-N 3.45Å
44	K	94.3	Very high	94.1	Very high	63 Å²	63	62.3 Å²	62.3	27%	0.274	31%	0.314	S	S	.	.	H	α-helix	trans	-60.2	-42.6	178.3	-70.5	-171.5	-179.8	178.1	0	111.7	E40 L41 Q48 V49 D50 I52	E40-K44 HydrophobicContact CG-CD 4.14Å; E40-K44 HydrophobicContact CG-CG 4.33Å; E40-K44 WeakPolarHBondContact O-CG 3.45Å; E40-K44 PolarHBondContact O-N 3.12Å; E40-K44 WeakPolarHBondContact OE1-CE 3.37Å; E40-K44 IonicContact OE1-NZ 3.44Å; E40-K44 PolarHBondContact OE1-NZ 2.78Å; L41-K44 PolarHBondContact O-N 2.71Å; K44-Q48 WeakPolarHBondContact O-CA 3.41Å; K44-Q48 PolarHBondContact O-N 2.88Å; K44-V49 WeakPolarHBondContact CA-O 3.38Å; K44-V49 WeakPolarHBondContact CB-O 3.44Å; K44-V49 WeakPolarHBondContact CG-O 3.27Å; K44-V49 PolarHBondContact O-N 2.81Å; K44-D50 WeakPolarHBondContact CE-O 3.34Å; K44-D50 PolarHBondContact NZ-O 2.88Å; K44-D50 VanDerWaalsContact NZ-O 3.08Å; K44-I52 HydrophobicContact CG-CD1 4.26Å
45	Q	91.4	Very high	94.1	Very high	84 Å²	84	61.8 Å²	61.8	39%	0.393	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-49.2	177.8	-171.2	-173.8	7.7	0	0	112	G9 N10 L41 E42 Y43	G9-Q45 WeakPolarHBondContact O-CG 3.36Å; G9-Q45 PolarHBondContact O-NE2 2.97Å; G9-Q45 PolarHBondContact O-OE1 2.99Å; N10-Q45 PolarHBondContact OD1-NE2 3.4Å; L41-Q45 WeakPolarHBondContact O-CB 3.28Å; L41-Q45 PolarHBondContact O-N 3.44Å; E42-Q45 PolarHBondContact O-N 2.87Å; Y43-Q45 VanDerWaalsContact C-N 3.32Å; Y43-Q45 PolarHBondContact O-N 3.49Å
46	V	92.7	Very high	94	Very high	62 Å²	62	67.1 Å²	67.1	38%	0.376	34%	0.344	S	S	.	.	H	α-helix	trans	-69.9	-38.7	-175.6	172.7	0	0	0	0	111.8	Y37 E42 Y43	Y37-V46 HydrophobicContact CE1-CB 4.09Å; Y37-V46 HydrophobicContact CE1-CG1 3.96Å; Y37-V46 HydrophobicContact CE1-CG2 4.48Å; E42-V46 HydrophobicContact CG-CG2 3.98Å; E42-V46 WeakPolarHBondContact O-CB 3.08Å; E42-V46 VanDerWaalsContact O-CG2 3.26Å; E42-V46 WeakPolarHBondContact O-CG2 3.47Å; E42-V46 PolarHBondContact O-N 3.26Å; Y43-V46 PolarHBondContact O-N 3.47Å
47	K	93.1	Very high	93.8	Very high	38 Å²	38	71.7 Å²	71.7	17%	0.165	36%	0.355	C	S	.	.	H	α-helix	trans	-92.9	-5.2	-178.5	-64.8	-60.4	-176.9	171.4	0	113.9	Y37 Y43 V49 Q65 R66 N69	Y37-K47 WeakPolarHBondContact OH-CE 3.27Å; Y43-K47 HydrophobicContact CD2-CG 4.07Å; Y43-K47 HydrophobicContact CE2-CB 4.47Å; Y43-K47 HydrophobicContact CE2-CG 3.68Å; Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.14Å; K47-V49 VanDerWaalsContact C-N 3.28Å; K47-V49 HydrophobicContact CB-CG1 4.27Å; K47-V49 HydrophobicContact CB-CG2 3.98Å; K47-V49 PolarHBondContact O-N 3.41Å; K47-Q65 WeakPolarHBondContact CE-O 3.42Å; K47-R66 WeakPolarHBondContact CE-O 3.47Å; K47-R66 PolarHBondContact NZ-O 3.44Å; K47-N69 PolarHBondContact NZ-OD1 3.33Å
48	Q	90.6	Very high	93.7	Very high	182 Å²	182	74.3 Å²	74.3	85%	0.85	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	49.1	-176.3	-59.1	-169.6	-28.2	0	0	111.6	K44	K44-Q48 WeakPolarHBondContact O-CA 3.41Å; K44-Q48 PolarHBondContact O-N 2.88Å
49	V	91.1	Very high	93.7	Very high	48 Å²	48	72.8 Å²	72.8	29%	0.291	38%	0.375	S	S	.	.			trans	-124.3	139.5	179	-63.8	0	0	0	0	110.5	Y43 K44 K47	Y43-V49 HydrophobicContact CD1-CG2 4.07Å; Y43-V49 HydrophobicContact CE1-CG2 3.68Å; K44-V49 WeakPolarHBondContact CA-O 3.38Å; K44-V49 WeakPolarHBondContact CB-O 3.44Å; K44-V49 WeakPolarHBondContact CG-O 3.27Å; K44-V49 PolarHBondContact O-N 2.81Å; K47-V49 VanDerWaalsContact C-N 3.28Å; K47-V49 HydrophobicContact CB-CG1 4.27Å; K47-V49 HydrophobicContact CB-CG2 3.98Å; K47-V49 PolarHBondContact O-N 3.41Å
50	D	87.7	Confident	93.7	Very high	138 Å²	138	72.6 Å²	72.6	74%	0.738	37%	0.374	S	S	*	.	S	Bend	trans	-90.9	-28.8	176.4	-63.3	-43.2	0	0	0	112.5	K44	K44-D50 WeakPolarHBondContact CE-O 3.34Å; K44-D50 PolarHBondContact NZ-O 2.88Å; K44-D50 VanDerWaalsContact NZ-O 3.08Å
51	L	90.9	Very high	93.9	Very high	154 Å²	154	69.9 Å²	69.9	81%	0.806	36%	0.361	S	S	*	.			trans	-113.9	139.8	-174.5	-62.6	177	0	0	0	111.5
52	I	95	Very high	94.1	Very high	21 Å²	21	69.6 Å²	69.6	11%	0.108	36%	0.357	C	S	.	.			trans	-118.5	133	178.7	-59	179.5	0	0	0	107.6	F32 E40 Y43 K44 R54 V61 L64	F32-I52 HydrophobicContact CE1-CD1 3.78Å; F32-I52 HydrophobicContact CZ-CD1 3.57Å; E40-I52 HydrophobicContact CB-CD1 4.38Å; E40-I52 HydrophobicContact CG-CD1 3.63Å; Y43-I52 HydrophobicContact CD1-CD1 3.64Å; Y43-I52 HydrophobicContact CD1-CG1 3.9Å; Y43-I52 HydrophobicContact CE1-CD1 4.22Å; Y43-I52 HydrophobicContact CE1-CG1 3.99Å; K44-I52 HydrophobicContact CG-CD1 4.26Å; I52-R54 PolarHBondContact O-N 3.19Å; I52-V61 HydrophobicContact CG2-CG1 4.17Å; I52-V61 HydrophobicContact CG2-CG2 4.23Å; I52-L64 HydrophobicContact CG2-CD2 4.05Å
53	D	95.2	Very high	94.2	Very high	69 Å²	69	71.6 Å²	71.6	37%	0.369	37%	0.365	S	S	.	.			trans	-66.2	122.7	176.5	-168.7	10.2	0	0	0	109.4	K62	D53-K62 HydrophobicContact CB-CB 4.45Å; D53-K62 WeakPolarHBondContact O-CB 3.43Å; D53-K62 PolarHBondContact O-N 3.16Å; D53-K62 IonicContact OD1-NZ 2.83Å; D53-K62 WeakPolarHBondContact OD2-CD 3.26Å; D53-K62 IonicContact OD2-NZ 3.97Å; D53-K62 PolarHBondContact OD2-NZ 2.93Å
54	R	97.4	Very high	94.3	Very high	73 Å²	73	70.6 Å²	70.6	28%	0.275	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-130.8	150.7	-176.5	-70	175.6	-177.6	-83.4	0.8	110	E40 I52 G59 F60	E40-R54 VanDerWaalsContact CD-NH2 3.27Å; E40-R54 IonicContact OE1-NH2 3.4Å; E40-R54 PolarHBondContact OE1-NH2 3.03Å; E40-R54 IonicContact OE2-CZ 3.7Å; E40-R54 IonicContact OE2-NH2 3.77Å; E40-R54 PolarHBondContact OE2-NH2 3.21Å; I52-R54 PolarHBondContact O-N 3.19Å; R54-G59 WeakPolarHBondContact CD-O 3.39Å; R54-G59 PolarHBondContact NH1-O 2.87Å; R54-F60 CarbonylContact C-O 3.05Å; R54-F60 VanDerWaalsContact CA-O 3.23Å; R54-F60 WeakPolarHBondContact CA-O 3.45Å
55	W	96.3	Very high	94.5	Very high	65 Å²	65	69.8 Å²	69.8	25%	0.246	36%	0.358	C	S	.	.			trans	-69.1	128	170.4	-68.8	103.6	0	0	0	109.9	E57 G59 F60 K62 Y74 N75 R76	W55-E57 VanDerWaalsContact C-N 3.26Å; W55-E57 PolarHBondContact O-N 3.16Å; W55-G59 VanDerWaalsContact O-CA 3.26Å; W55-G59 WeakPolarHBondContact O-CA 3.07Å; W55-G59 PolarHBondContact O-N 2.83Å; W55-F60 PolarHBondContact N-O 3.17Å; W55-K62 HydrophobicContact CD2-CB 4.36Å; W55-K62 HydrophobicContact CD2-CD 3.98Å; W55-K62 HydrophobicContact CD2-CG 4.21Å; W55-K62 HydrophobicContact CE3-CD 4.18Å; W55-K62 HydrophobicContact CG-CB 4.28Å; W55-K62 HydrophobicContact CH2-CD 4.11Å; W55-K62 HydrophobicContact CH2-CG 4.44Å; W55-K62 HydrophobicContact CZ2-CD 3.92Å; W55-K62 HydrophobicContact CZ2-CG 3.78Å; W55-K62 HydrophobicContact CZ3-CD 4.23Å; W55-Y74 PolarHBondContact NE1-O 2.67Å; W55-N75 PolarHBondContact NE1-O 3.42Å; W55-R76 HydrophobicContact CB-CB 4.43Å; W55-R76 VanDerWaalsContact CD1-CA 3.5Å; W55-R76 HydrophobicContact CD2-CB 3.5Å; W55-R76 VanDerWaalsContact CD2-CB 3.5Å; W55-R76 HydrophobicContact CE3-CB 3.86Å; W55-R76 HydrophobicContact CG-CB 3.76Å; W55-R76 HydrophobicContact CZ2-CB 4.2Å; W55-R76 HydrophobicContact CZ3-CB 4.35Å
56	P	94.6	Very high	94.7	Very high	115 Å²	115	69 Å²	69	75%	0.747	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-26.8	-174.5	24.3	-31.7	0	0	0	113
57	E	93	Very high	94.7	Very high	135 Å²	135	72.3 Å²	72.3	63%	0.631	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-38.2	-177.1	-52.9	85.4	174.4	0	0	113.2	W55	W55-E57 VanDerWaalsContact C-N 3.26Å; W55-E57 PolarHBondContact O-N 3.16Å
58	T	93.9	Very high	94.8	Very high	58 Å²	58	74.5 Å²	74.5	36%	0.356	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-18.1	-174.6	55.9	0	0	0	0	113.6	F60 R76	T58-F60 HydrophobicContact CG2-CD2 4.31Å; T58-F60 HydrophobicContact CG2-CE2 4.26Å; T58-F60 PolarHBondContact O-N 3.31Å; T58-F60 WeakPolarHBondContact OG1-CD2 3.47Å; T58-F60 PolarHBondContact OG1-N 3.27Å; T58-R76 WeakPolarHBondContact CG2-O 2.95Å; T58-R76 PolarHBondContact OG1-O 3.38Å; T58-R76 VanDerWaalsContact OG1-O 3.09Å
59	G	95.1	Very high	94.9	Very high	32 Å²	32	70.6 Å²	70.6	33%	0.33	36%	0.356	S	S	.	.			trans	71.8	4.3	-172	0	0	0	0	0	114	R54 W55	R54-G59 WeakPolarHBondContact CD-O 3.39Å; R54-G59 PolarHBondContact NH1-O 2.87Å; W55-G59 VanDerWaalsContact O-CA 3.26Å; W55-G59 WeakPolarHBondContact O-CA 3.07Å; W55-G59 PolarHBondContact O-N 2.83Å
60	F	97.6	Very high	95.2	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.035	36%	0.361	C	S	.	.			trans	-71.2	144.1	179.6	-61.2	-24.2	0	0	0	112.1	W22 D24 E27 N28 R54 W55 T58 K62 R76	W22-F60 HydrophobicContact CH2-CZ 4.23Å; W22-F60 HydrophobicContact CZ2-CZ 4.05Å; D24-F60 HydrophobicContact CB-CE1 3.78Å; D24-F60 WeakPolarHBondContact OD1-CE1 3.43Å; D24-F60 WeakPolarHBondContact OD1-CZ 3.46Å; E27-F60 HydrophobicContact CB-CD1 4.47Å; E27-F60 HydrophobicContact CB-CE1 4.16Å; E27-F60 HydrophobicContact CB-CZ 4.43Å; E27-F60 HydrophobicContact CG-CD1 4.01Å; E27-F60 HydrophobicContact CG-CD2 4.16Å; E27-F60 HydrophobicContact CG-CE1 3.96Å; E27-F60 HydrophobicContact CG-CE2 4.11Å; E27-F60 HydrophobicContact CG-CG 4.13Å; E27-F60 HydrophobicContact CG-CZ 4.01Å; N28-F60 WeakPolarHBondContact OD1-CA 3.41Å; R54-F60 CarbonylContact C-O 3.05Å; R54-F60 VanDerWaalsContact CA-O 3.23Å; R54-F60 WeakPolarHBondContact CA-O 3.45Å; W55-F60 PolarHBondContact N-O 3.17Å; T58-F60 HydrophobicContact CG2-CD2 4.31Å; T58-F60 HydrophobicContact CG2-CE2 4.26Å; T58-F60 PolarHBondContact O-N 3.31Å; T58-F60 WeakPolarHBondContact OG1-CD2 3.47Å; T58-F60 PolarHBondContact OG1-N 3.27Å; F60-K62 PolarHBondContact O-N 3.35Å; F60-R76 WeakPolarHBondContact CD2-O 3.41Å
61	V	97.9	Very high	95.6	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-56.7	120.6	175.8	173.1	0	0	0	0	110	N28 R31 F32 I52 L64 Y74	N28-V61 HydrophobicContact CB-CG2 4.49Å; N28-V61 WeakPolarHBondContact OD1-CG2 3.34Å; N28-V61 PolarHBondContact OD1-N 3.02Å; R31-V61 HydrophobicContact CB-CB 4.36Å; R31-V61 WeakPolarHBondContact CD-O 3.23Å; R31-V61 PolarHBondContact NH1-O 2.78Å; F32-V61 HydrophobicContact CE1-CG2 4.46Å; F32-V61 HydrophobicContact CE2-CG2 3.75Å; F32-V61 HydrophobicContact CZ-CG2 3.68Å; I52-V61 HydrophobicContact CG2-CG1 4.17Å; I52-V61 HydrophobicContact CG2-CG2 4.23Å; V61-L64 HydrophobicContact CG1-CD1 3.86Å; V61-L64 HydrophobicContact CG1-CD2 3.65Å; V61-L64 HydrophobicContact CG1-CG 3.45Å; V61-L64 VanDerWaalsContact CG1-CG 3.45Å; V61-Y74 HydrophobicContact CG1-CD2 4.22Å; V61-Y74 HydrophobicContact CG1-CE2 4.32Å; V61-Y74 WeakPolarHBondContact O-CB 3.22Å
62	K	97.9	Very high	95.9	Very high	68 Å²	68	65.6 Å²	65.6	30%	0.296	32%	0.321	S	S	.	.			trans	-87.7	-38.1	-177	174.8	171.2	164.2	-151.2	0	112.5	D53 W55 F60 Y74	D53-K62 HydrophobicContact CB-CB 4.45Å; D53-K62 WeakPolarHBondContact O-CB 3.43Å; D53-K62 PolarHBondContact O-N 3.16Å; D53-K62 IonicContact OD1-NZ 2.83Å; D53-K62 WeakPolarHBondContact OD2-CD 3.26Å; D53-K62 IonicContact OD2-NZ 3.97Å; D53-K62 PolarHBondContact OD2-NZ 2.93Å; W55-K62 HydrophobicContact CD2-CB 4.36Å; W55-K62 HydrophobicContact CD2-CD 3.98Å; W55-K62 HydrophobicContact CD2-CG 4.21Å; W55-K62 HydrophobicContact CE3-CD 4.18Å; W55-K62 HydrophobicContact CG-CB 4.28Å; W55-K62 HydrophobicContact CH2-CD 4.11Å; W55-K62 HydrophobicContact CH2-CG 4.44Å; W55-K62 HydrophobicContact CZ2-CD 3.92Å; W55-K62 HydrophobicContact CZ2-CG 3.78Å; W55-K62 HydrophobicContact CZ3-CD 4.23Å; F60-K62 PolarHBondContact O-N 3.35Å; K62-Y74 PolarHBondContact O-N 3.2Å
63	K	97.2	Very high	96	Very high	69 Å²	69	72.4 Å²	72.4	30%	0.3	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	137.3	-177	-172.9	-177.2	70.8	177.9	0	111.2	F71 Y72 Y73	K63-F71 HydrophobicContact CD-CD1 3.93Å; K63-F71 HydrophobicContact CG-CD1 4.15Å; K63-Y72 VanDerWaalsContact CA-O 3.27Å; K63-Y72 WeakPolarHBondContact CA-O 3.1Å; K63-Y72 WeakPolarHBondContact CG-O 3.17Å; K63-Y73 HydrophobicContact CB-CD1 4.35Å; K63-Y73 HydrophobicContact CD-CD1 4.1Å; K63-Y73 HydrophobicContact CD-CE1 3.48Å; K63-Y73 VanDerWaalsContact CD-CE1 3.48Å; K63-Y73 HydrophobicContact CD-CE2 4.45Å; K63-Y73 HydrophobicContact CG-CD1 4.07Å; K63-Y73 HydrophobicContact CG-CE1 3.96Å
64	L	97.9	Very high	96.1	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	141.2	170.1	-65.3	175.3	0	0	0	110.7	F32 A35 Y43 I52 V61 F71 Y72 Y74	F32-L64 HydrophobicContact CD1-CD1 3.59Å; F32-L64 HydrophobicContact CD1-CD2 4.09Å; F32-L64 HydrophobicContact CE1-CD1 3.96Å; F32-L64 HydrophobicContact CE1-CD2 3.64Å; F32-L64 HydrophobicContact CE1-CG 4.47Å; F32-L64 HydrophobicContact CG-CD1 4.22Å; F32-L64 HydrophobicContact CZ-CD2 4.49Å; A35-L64 HydrophobicContact CB-CB 3.89Å; A35-L64 HydrophobicContact CB-CD1 3.73Å; A35-L64 HydrophobicContact CB-CG 4.48Å; Y43-L64 HydrophobicContact CD1-CD2 4.02Å; Y43-L64 HydrophobicContact CD2-CD2 3.99Å; Y43-L64 HydrophobicContact CE1-CD2 3.77Å; Y43-L64 HydrophobicContact CE2-CB 4.2Å; Y43-L64 HydrophobicContact CE2-CD2 3.73Å; Y43-L64 HydrophobicContact CG-CD2 4.11Å; I52-L64 HydrophobicContact CG2-CD2 4.05Å; V61-L64 HydrophobicContact CG1-CD1 3.86Å; V61-L64 HydrophobicContact CG1-CD2 3.65Å; V61-L64 HydrophobicContact CG1-CG 3.45Å; V61-L64 VanDerWaalsContact CG1-CG 3.45Å; L64-F71 WeakPolarHBondContact O-CA 3.42Å; L64-Y72 PolarHBondContact N-O 3.44Å; L64-Y72 PolarHBondContact O-N 2.67Å; L64-Y74 HydrophobicContact CB-CE2 4.18Å; L64-Y74 HydrophobicContact CD1-CE2 4.07Å; L64-Y74 HydrophobicContact CG-CE2 4.02Å
65	Q	97.4	Very high	96.1	Very high	46 Å²	46	70 Å²	70	22%	0.215	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.8	166.5	-164.3	-173.1	36.8	0	0	109.5	Y37 Y43 K47 N69 T70 F71	Y37-Q65 WeakPolarHBondContact CE2-O 3.38Å; Y37-Q65 VanDerWaalsContact CZ-O 3.31Å; Y37-Q65 PolarHBondContact OH-O 3.44Å; Y43-Q65 WeakPolarHBondContact CE2-O 3.18Å; Y43-Q65 PolarHBondContact OH-N 3.45Å; K47-Q65 WeakPolarHBondContact CE-O 3.42Å; Q65-N69 PolarHBondContact NE2-O 3.03Å; Q65-T70 CarbonylContact C-O 3.58Å; Q65-T70 WeakPolarHBondContact CA-O 3.47Å; Q65-F71 HydrophobicContact CB-CD1 3.93Å; Q65-F71 HydrophobicContact CB-CE1 3.68Å; Q65-F71 HydrophobicContact CB-CZ 4.4Å; Q65-F71 HydrophobicContact CG-CD1 4.09Å; Q65-F71 HydrophobicContact CG-CE1 3.72Å; Q65-F71 HydrophobicContact CG-CZ 3.95Å
66	R	96.4	Very high	96	Very high	68 Å²	68	73.1 Å²	73.1	26%	0.257	35%	0.351	S	S	.	.			trans	-75.7	173.8	177.4	-67.6	174.1	70	-138.3	4.5	111.5	A35 Y37 K47 D68 N69 T70 Y72	A35-R66 HydrophobicContact CB-CG 4.25Å; Y37-R66 VanDerWaalsContact OH-C 3.22Å; Y37-R66 PolarHBondContact OH-O 2.91Å; K47-R66 WeakPolarHBondContact CE-O 3.47Å; K47-R66 PolarHBondContact NZ-O 3.44Å; R66-D68 VanDerWaalsContact C-N 3.27Å; R66-D68 WeakPolarHBondContact CB-OD1 3.47Å; R66-D68 IonicContact CZ-OD2 2.78Å; R66-D68 IonicContact NH1-OD1 3.76Å; R66-D68 IonicContact NH1-OD2 3.42Å; R66-D68 PolarHBondContact NH1-OD2 2.93Å; R66-D68 IonicContact NH2-OD2 3.05Å; R66-D68 PolarHBondContact O-N 2.61Å; R66-N69 PolarHBondContact O-N 3.27Å; R66-N69 VanDerWaalsContact O-N 3.16Å; R66-T70 WeakPolarHBondContact CD-OG1 3.21Å; R66-T70 PolarHBondContact N-O 2.51Å; R66-T70 PolarHBondContact NH1-OG1 3.4Å; R66-Y72 VanDerWaalsContact CD-CE1 3.43Å; R66-Y72 HydrophobicContact CG-CD1 4.46Å; R66-Y72 HydrophobicContact CG-CD2 4.25Å; R66-Y72 HydrophobicContact CG-CE2 4.48Å; R66-Y72 HydrophobicContact CG-CG 4.25Å
67	R	93.2	Very high	96.1	Very high	131 Å²	131	74.2 Å²	74.2	49%	0.494	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-28.2	176.9	-64.8	-172.4	-176.3	-103.3	0.3	113.2	G36 Y37 E42 N69	G36-R67 PolarHBondContact O-NE 3.37Å; G36-R67 PolarHBondContact O-NH2 3.09Å; Y37-R67 HydrophobicContact CE1-CG 4.1Å; Y37-R67 PolarHBondContact OH-N 3.06Å; E42-R67 IonicContact OE1-CZ 3.92Å; E42-R67 IonicContact OE1-NH2 2.67Å; E42-R67 PolarHBondContact OE1-NH2 2.77Å; R67-N69 PolarHBondContact O-N 2.74Å
68	D	94.5	Very high	96.2	Very high	85 Å²	85	72.4 Å²	72.4	46%	0.455	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	10.4	173.7	64.9	3.5	0	0	0	113.2	R66 T70	R66-D68 VanDerWaalsContact C-N 3.27Å; R66-D68 WeakPolarHBondContact CB-OD1 3.47Å; R66-D68 IonicContact CZ-OD2 2.78Å; R66-D68 IonicContact NH1-OD1 3.76Å; R66-D68 IonicContact NH1-OD2 3.42Å; R66-D68 PolarHBondContact NH1-OD2 2.93Å; R66-D68 IonicContact NH2-OD2 3.05Å; R66-D68 PolarHBondContact O-N 2.61Å; D68-T70 VanDerWaalsContact CG-OG1 3.29Å; D68-T70 PolarHBondContact O-N 3.2Å; D68-T70 WeakPolarHBondContact OD1-CB 3.48Å; D68-T70 PolarHBondContact OD1-N 3.48Å; D68-T70 PolarHBondContact OD1-OG1 3.3Å; D68-T70 PolarHBondContact OD2-OG1 2.91Å
69	N	92.7	Very high	96.3	Very high	100 Å²	100	72.5 Å²	72.5	54%	0.535	33%	0.328	S	S	.	.	S	Bend	trans	64.8	6.5	-177.2	-58.9	-45.5	0	0	0	116.1	K47 Q65 R66 R67	K47-N69 PolarHBondContact NZ-OD1 3.33Å; Q65-N69 PolarHBondContact NE2-O 3.03Å; R66-N69 PolarHBondContact O-N 3.27Å; R66-N69 VanDerWaalsContact O-N 3.16Å; R67-N69 PolarHBondContact O-N 2.74Å
70	T	96.6	Very high	96.4	Very high	62 Å²	62	71 Å²	71	38%	0.38	31%	0.312	S	S	.	.			trans	-76.8	164.5	167.9	67.3	0	0	0	0	111.2	Q65 R66 D68	Q65-T70 CarbonylContact C-O 3.58Å; Q65-T70 WeakPolarHBondContact CA-O 3.47Å; R66-T70 WeakPolarHBondContact CD-OG1 3.21Å; R66-T70 PolarHBondContact N-O 2.51Å; R66-T70 PolarHBondContact NH1-OG1 3.4Å; D68-T70 VanDerWaalsContact CG-OG1 3.29Å; D68-T70 PolarHBondContact O-N 3.2Å; D68-T70 WeakPolarHBondContact OD1-CB 3.48Å; D68-T70 PolarHBondContact OD1-N 3.48Å; D68-T70 PolarHBondContact OD1-OG1 3.3Å; D68-T70 PolarHBondContact OD2-OG1 2.91Å
71	F	96.6	Very high	96.3	Very high	97 Å²	97	75 Å²	75	43%	0.425	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.1	-177.9	-67.1	-86.4	0	0	0	111.6	K63 L64 Q65 Y73	K63-F71 HydrophobicContact CD-CD1 3.93Å; K63-F71 HydrophobicContact CG-CD1 4.15Å; L64-F71 WeakPolarHBondContact O-CA 3.42Å; Q65-F71 HydrophobicContact CB-CD1 3.93Å; Q65-F71 HydrophobicContact CB-CE1 3.68Å; Q65-F71 HydrophobicContact CB-CZ 4.4Å; Q65-F71 HydrophobicContact CG-CD1 4.09Å; Q65-F71 HydrophobicContact CG-CE1 3.72Å; Q65-F71 HydrophobicContact CG-CZ 3.95Å; F71-Y73 HydrophobicContact CB-CD2 4.43Å; F71-Y73 HydrophobicContact CB-CE2 3.77Å
72	Y	97.4	Very high	96.2	Very high	76 Å²	76	80.5 Å²	80.5	30%	0.298	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	136.9	162.7	-81.1	-5	0	0	0	110.3	Q34 A35 K63 L64 R66	Q34-Y72 HydrophobicContact CG-CD2 4.27Å; Q34-Y72 HydrophobicContact CG-CE2 3.89Å; Q34-Y72 WeakPolarHBondContact O-CE2 3.5Å; A35-Y72 HydrophobicContact CB-CD2 4.41Å; K63-Y72 VanDerWaalsContact CA-O 3.27Å; K63-Y72 WeakPolarHBondContact CA-O 3.1Å; K63-Y72 WeakPolarHBondContact CG-O 3.17Å; L64-Y72 PolarHBondContact N-O 3.44Å; L64-Y72 PolarHBondContact O-N 2.67Å; R66-Y72 VanDerWaalsContact CD-CE1 3.43Å; R66-Y72 HydrophobicContact CG-CD1 4.46Å; R66-Y72 HydrophobicContact CG-CD2 4.25Å; R66-Y72 HydrophobicContact CG-CE2 4.48Å; R66-Y72 HydrophobicContact CG-CG 4.25Å
73	Y	97.4	Very high	96.1	Very high	163 Å²	163	85.4 Å²	85.4	64%	0.639	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	136.3	174.6	-66.6	-96.8	0	0	0	107.9	K63 F71	K63-Y73 HydrophobicContact CB-CD1 4.35Å; K63-Y73 HydrophobicContact CD-CD1 4.1Å; K63-Y73 HydrophobicContact CD-CE1 3.48Å; K63-Y73 VanDerWaalsContact CD-CE1 3.48Å; K63-Y73 HydrophobicContact CD-CE2 4.45Å; K63-Y73 HydrophobicContact CG-CD1 4.07Å; K63-Y73 HydrophobicContact CG-CE1 3.96Å; F71-Y73 HydrophobicContact CB-CD2 4.43Å; F71-Y73 HydrophobicContact CB-CE2 3.77Å
74	Y	97.4	Very high	96	Very high	8 Å²	8	84.1 Å²	84.1	3%	0.031	37%	0.372	C	S	.	.			trans	-121.9	145.8	-177.5	-52.9	-90	0	0	0	109.9	R31 W55 V61 K62 L64 E79	R31-Y74 HydrophobicContact CB-CD1 4.01Å; R31-Y74 HydrophobicContact CB-CD2 4.4Å; R31-Y74 HydrophobicContact CB-CE1 3.71Å; R31-Y74 HydrophobicContact CB-CE2 4.16Å; R31-Y74 HydrophobicContact CB-CG 4.34Å; R31-Y74 HydrophobicContact CG-CD1 3.51Å; R31-Y74 HydrophobicContact CG-CD2 4.41Å; R31-Y74 HydrophobicContact CG-CE1 3.7Å; R31-Y74 HydrophobicContact CG-CG 3.89Å; R31-Y74 PolarHBondContact O-OH 2.91Å; W55-Y74 PolarHBondContact NE1-O 2.67Å; V61-Y74 HydrophobicContact CG1-CD2 4.22Å; V61-Y74 HydrophobicContact CG1-CE2 4.32Å; V61-Y74 WeakPolarHBondContact O-CB 3.22Å; K62-Y74 PolarHBondContact O-N 3.2Å; L64-Y74 HydrophobicContact CB-CE2 4.18Å; L64-Y74 HydrophobicContact CD1-CE2 4.07Å; L64-Y74 HydrophobicContact CG-CE2 4.02Å; Y74-E79 WeakPolarHBondContact CD1-OE2 3.38Å
75	N	95.9	Very high	96	Very high	85 Å²	85	84.4 Å²	84.4	46%	0.455	37%	0.374	S	S	.	.			trans	-64.9	153.8	179.1	-158.8	-20.8	0	0	0	111	R31 W55 K77 E79	R31-N75 PolarHBondContact NH1-O 3.36Å; R31-N75 PolarHBondContact NH2-O 2.89Å; W55-N75 PolarHBondContact NE1-O 3.42Å; N75-K77 PolarHBondContact O-N 2.74Å; N75-E79 WeakPolarHBondContact CA-OE1 3.4Å; N75-E79 HydrophobicContact CB-CG 4Å; N75-E79 WeakPolarHBondContact CB-OE1 3.26Å; N75-E79 PolarHBondContact N-OE1 3.07Å
76	R	95.2	Very high	96	Very high	130 Å²	130	87.5 Å²	87.5	49%	0.491	39%	0.388	S	S	.	.	S	Bend	trans	-65.6	-25.5	174.6	67.7	-178.3	179.9	153.8	-1	112.8	W55 T58 F60	W55-R76 HydrophobicContact CB-CB 4.43Å; W55-R76 VanDerWaalsContact CD1-CA 3.5Å; W55-R76 HydrophobicContact CD2-CB 3.5Å; W55-R76 VanDerWaalsContact CD2-CB 3.5Å; W55-R76 HydrophobicContact CE3-CB 3.86Å; W55-R76 HydrophobicContact CG-CB 3.76Å; W55-R76 HydrophobicContact CZ2-CB 4.2Å; W55-R76 HydrophobicContact CZ3-CB 4.35Å; T58-R76 WeakPolarHBondContact CG2-O 2.95Å; T58-R76 PolarHBondContact OG1-O 3.38Å; T58-R76 VanDerWaalsContact OG1-O 3.09Å; F60-R76 WeakPolarHBondContact CD2-O 3.41Å
77	K	96.1	Very high	96	Very high	138 Å²	138	89.5 Å²	89.5	60%	0.6	40%	0.399	S	S	*	.	S	Bend	trans	-92.4	168.7	176.3	-62.2	-172.6	177.7	-176.9	0	110.5	R31 N75	R31-K77 PolarHBondContact NH2-O 2.97Å; N75-K77 PolarHBondContact O-N 2.74Å
78	R	96.4	Very high	96.2	Very high	96 Å²	96	83.4 Å²	83.4	36%	0.362	38%	0.376	S	S	.	.			trans	-50.6	132.5	172	174.9	178.5	179.8	-177.7	-0.3	111.6	W22 C80 D82	W22-R78 VanDerWaalsContact CD1-NE 3.35Å; W22-R78 HydrophobicContact CZ2-CB 3.86Å; W22-R78 HydrophobicContact CZ2-CG 3.62Å; R78-C80 VanDerWaalsContact CZ-O 3.29Å; R78-C80 PolarHBondContact NE-O 3.08Å; R78-C80 PolarHBondContact NH2-O 2.68Å; R78-D82 IonicContact CZ-OD1 3.82Å; R78-D82 IonicContact NH1-OD1 3.55Å; R78-D82 IonicContact NH2-OD1 2.67Å; R78-D82 PolarHBondContact NH2-OD1 3.08Å
79	E	96.1	Very high	96.4	Very high	60 Å²	60	83.1 Å²	83.1	28%	0.28	37%	0.371	S	S	.	.			trans	-117.5	-26.6	172	-65.8	-171.5	162.3	0	0	112.6	E27 Y30 Y74 N75 E81	E27-E79 PolarHBondContact OE1-N 3.44Å; E27-E79 PolarHBondContact OE2-N 3.45Å; Y30-E79 HydrophobicContact CE1-CB 4.41Å; Y74-E79 WeakPolarHBondContact CD1-OE2 3.38Å; N75-E79 WeakPolarHBondContact CA-OE1 3.4Å; N75-E79 HydrophobicContact CB-CG 4Å; N75-E79 WeakPolarHBondContact CB-OE1 3.26Å; N75-E79 PolarHBondContact N-OE1 3.07Å; E79-E81 PolarHBondContact O-N 3.28Å
80	C	96.1	Very high	96.6	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	36%	0.356	C	S	.	.			trans	-73	99.5	178.4	-175.8	0	0	0	0	110.5	W22 E27 Y30 R78	W22-C80 VanDerWaalsContact CD1-O 3.31Å; E27-C80 WeakPolarHBondContact OE2-CB 3.36Å; E27-C80 PolarHBondContact OE2-N 3.01Å; Y30-C80 HydrophobicContact CD1-CB 3.88Å; Y30-C80 HydrophobicContact CD2-CB 4.23Å; Y30-C80 HydrophobicContact CE1-CB 4.37Å; Y30-C80 HydrophobicContact CG-CB 3.8Å; R78-C80 VanDerWaalsContact CZ-O 3.29Å; R78-C80 PolarHBondContact NE-O 3.08Å; R78-C80 PolarHBondContact NH2-O 2.68Å
81	E	95.9	Very high	96.5	Very high	94 Å²	94	79.5 Å²	79.5	44%	0.439	35%	0.347	S	S	.	.			trans	-67.5	155.2	175.2	-62.5	179.2	-175.9	0	0	111.6	E79 R83 E84 V85	E79-E81 PolarHBondContact O-N 3.28Å; E81-R83 HydrophobicContact CB-CG 4.12Å; E81-R83 PolarHBondContact O-N 2.94Å; E81-R83 VanDerWaalsContact O-N 3.11Å; E81-R83 IonicContact OE1-NH2 3.47Å; E81-R83 PolarHBondContact OE1-NH2 3.04Å; E81-R83 IonicContact OE2-CZ 3.04Å; E81-R83 IonicContact OE2-NE 2.63Å; E81-R83 PolarHBondContact OE2-NE 3.28Å; E81-R83 IonicContact OE2-NH2 2.74Å; E81-R83 PolarHBondContact OE2-NH2 2.94Å; E81-E84 HydrophobicContact CB-CG 4.43Å; E81-E84 WeakPolarHBondContact O-CA 3.33Å; E81-E84 WeakPolarHBondContact O-CB 3.45Å; E81-E84 PolarHBondContact O-N 3.1Å; E81-V85 PolarHBondContact O-N 3.25Å
82	D	95.9	Very high	96.3	Very high	115 Å²	115	77.2 Å²	77.2	62%	0.615	35%	0.346	S	S	*	.	H	α-helix	trans	-57.5	-32.4	-177.4	-66.8	-38.5	0	0	0	113	R78 E84 V85	R78-D82 IonicContact CZ-OD1 3.82Å; R78-D82 IonicContact NH1-OD1 3.55Å; R78-D82 IonicContact NH2-OD1 2.67Å; R78-D82 PolarHBondContact NH2-OD1 3.08Å; D82-E84 PolarHBondContact O-N 3.42Å; D82-V85 PolarHBondContact O-N 2.77Å
83	R	95.8	Very high	95.9	Very high	171 Å²	171	76.8 Å²	76.8	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-68.6	-13.8	174.7	65.9	173.4	174.9	-176.9	-8.8	113.9	E81 H86	E81-R83 HydrophobicContact CB-CG 4.12Å; E81-R83 PolarHBondContact O-N 2.94Å; E81-R83 VanDerWaalsContact O-N 3.11Å; E81-R83 IonicContact OE1-NH2 3.47Å; E81-R83 PolarHBondContact OE1-NH2 3.04Å; E81-R83 IonicContact OE2-CZ 3.04Å; E81-R83 IonicContact OE2-NE 2.63Å; E81-R83 PolarHBondContact OE2-NE 3.28Å; E81-R83 IonicContact OE2-NH2 2.74Å; E81-R83 PolarHBondContact OE2-NH2 2.94Å; R83-H86 PolarHBondContact O-CE1 2.88Å; R83-H86 PolarHBondContact O-ND1 3.39Å
84	E	95.8	Very high	95.8	Very high	42 Å²	42	72.5 Å²	72.5	20%	0.196	33%	0.329	C	S	.	.	H	α-helix	trans	-102.2	-20.2	180	-57.1	-132.8	106	0	0	112.5	Y30 E81 D82 H86 K87	Y30-E84 HydrophobicContact CE2-CB 4.29Å; Y30-E84 WeakPolarHBondContact CE2-OE2 3.44Å; Y30-E84 PolarHBondContact OH-OE2 3.48Å; E81-E84 HydrophobicContact CB-CG 4.43Å; E81-E84 WeakPolarHBondContact O-CA 3.33Å; E81-E84 WeakPolarHBondContact O-CB 3.45Å; E81-E84 PolarHBondContact O-N 3.1Å; D82-E84 PolarHBondContact O-N 3.42Å; E84-H86 VanDerWaalsContact C-N 3.31Å; E84-H86 PolarHBondContact O-N 3.18Å; E84-K87 WeakPolarHBondContact O-CA 3.27Å; E84-K87 WeakPolarHBondContact O-CB 3.12Å; E84-K87 PolarHBondContact O-N 2.82Å; E84-K87 IonicContact OE1-NZ 3.55Å; E84-K87 PolarHBondContact OE1-NZ 3.08Å
85	V	97.1	Very high	95.7	Very high	6 Å²	6	75.8 Å²	75.8	4%	0.036	35%	0.345	C	S	.	.	H	α-helix	trans	-50.2	-49.2	-178.4	171.3	0	0	0	0	112.1	A19 Q21 W22 V26 E81 D82 K87 V88	A19-V85 HydrophobicContact CB-CG1 3.95Å; Q21-V85 VanDerWaalsContact C-CG1 3.46Å; W22-V85 HydrophobicContact CB-CG2 3.78Å; W22-V85 HydrophobicContact CG-CG2 4.46Å; V26-V85 HydrophobicContact CG1-CG1 4.45Å; E81-V85 PolarHBondContact O-N 3.25Å; D82-V85 PolarHBondContact O-N 2.77Å; V85-K87 PolarHBondContact O-N 2.71Å; V85-V88 WeakPolarHBondContact O-CB 3.02Å; V85-V88 PolarHBondContact O-N 3.08Å
86	H	96.5	Very high	95.7	Very high	111 Å²	111	75.3 Å²	75.3	51%	0.514	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-14.1	-178.7	70.9	-89.7	0	0	0	113.9	R18 A19 R83 E84	R18-H86 WeakPolarHBondContact CD-O 2.97Å; R18-H86 PolarHBondContact NH1-O 2.81Å; A19-H86 WeakPolarHBondContact O-CA 3.16Å; R83-H86 PolarHBondContact O-CE1 2.88Å; R83-H86 PolarHBondContact O-ND1 3.39Å; E84-H86 VanDerWaalsContact C-N 3.31Å; E84-H86 PolarHBondContact O-N 3.18Å
87	K	97.1	Very high	95.7	Very high	110 Å²	110	72.1 Å²	72.1	48%	0.478	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-27.5	174.7	-54.9	178.8	-170.4	167	0	111.8	R18 E84 V85 K89	R18-K87 PolarHBondContact NH1-O 3.02Å; E84-K87 WeakPolarHBondContact O-CA 3.27Å; E84-K87 WeakPolarHBondContact O-CB 3.12Å; E84-K87 PolarHBondContact O-N 2.82Å; E84-K87 IonicContact OE1-NZ 3.55Å; E84-K87 PolarHBondContact OE1-NZ 3.08Å; V85-K87 PolarHBondContact O-N 2.71Å; K87-K89 PolarHBondContact O-N 2.94Å
88	V	98.1	Very high	95.7	Very high	3 Å²	3	68 Å²	68	2%	0.018	31%	0.313	C	S	.	.			trans	-67.7	126.9	-177.9	-174.4	0	0	0	0	110.2	R18 A19 V26 L29 Y30 V85	R18-V88 WeakPolarHBondContact CA-O 3.38Å; A19-V88 HydrophobicContact CB-CB 4.23Å; A19-V88 PolarHBondContact N-O 3.27Å; V26-V88 HydrophobicContact CG1-CB 4.13Å; V26-V88 HydrophobicContact CG1-CG1 4.12Å; V26-V88 HydrophobicContact CG1-CG2 4.06Å; L29-V88 HydrophobicContact CB-CG1 3.69Å; Y30-V88 HydrophobicContact CD2-CG2 4.04Å; Y30-V88 HydrophobicContact CG-CG2 4.44Å; V85-V88 WeakPolarHBondContact O-CB 3.02Å; V85-V88 PolarHBondContact O-N 3.08Å
89	K	98.1	Very high	95.7	Very high	79 Å²	79	66.1 Å²	66.1	34%	0.343	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	137.8	176	-60.7	178.2	-176.7	175.4	0	109.8	M16 S17 Q33 K87 Y91	M16-K89 HydrophobicContact CG-CB 3.97Å; M16-K89 HydrophobicContact CG-CD 4.29Å; M16-K89 HydrophobicContact CG-CG 4.29Å; M16-K89 HydrophobicContact SD-CB 3.98Å; M16-K89 HydrophobicContact SD-CD 4.16Å; M16-K89 HydrophobicContact SD-CG 3.83Å; S17-K89 CarbonylContact O-C 3.56Å; S17-K89 WeakPolarHBondContact O-CA 3.44Å; Q33-K89 PolarHBondContact NE2-O 3.09Å; K87-K89 PolarHBondContact O-N 2.94Å; K89-Y91 HydrophobicContact CB-CD2 4.46Å; K89-Y91 HydrophobicContact CB-CE2 3.77Å; K89-Y91 HydrophobicContact CD-CE2 4.47Å; K89-Y91 VanDerWaalsContact CD-OH 3.27Å; K89-Y91 WeakPolarHBondContact CD-OH 3.19Å
90	V	97.1	Very high	95.7	Very high	38 Å²	38	66.6 Å²	66.6	23%	0.23	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	118.2	174.3	-176.1	0	0	0	0	106.9	M16 S17 A19 L29	M16-V90 WeakPolarHBondContact CA-O 3.47Å; S17-V90 PolarHBondContact N-O 3.23Å; S17-V90 PolarHBondContact O-N 3.26Å; A19-V90 HydrophobicContact CB-CG2 4.06Å; L29-V90 HydrophobicContact CD1-CB 4.46Å; L29-V90 HydrophobicContact CD1-CG1 4.34Å; L29-V90 HydrophobicContact CD1-CG2 4Å
91	Y	95	Very high	95.6	Very high	48 Å²	48	71.7 Å²	71.7	19%	0.188	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134	-177.8	-66.7	-82.4	0	0	0	110.3	P13 S15 M16 R38 K89	P13-Y91 HydrophobicContact CB-CD1 3.77Å; P13-Y91 HydrophobicContact CB-CG 4.18Å; P13-Y91 HydrophobicContact CG-CD1 3.7Å; P13-Y91 HydrophobicContact CG-CE1 4.34Å; P13-Y91 HydrophobicContact CG-CG 4.36Å; S15-Y91 WeakPolarHBondContact O-CA 3.45Å; M16-Y91 HydrophobicContact CB-CD1 3.93Å; M16-Y91 HydrophobicContact CB-CE1 3.89Å; M16-Y91 HydrophobicContact CG-CD1 3.94Å; M16-Y91 HydrophobicContact CG-CE1 3.61Å; R38-Y91 HydrophobicContact CB-CD2 3.84Å; R38-Y91 HydrophobicContact CB-CE2 3.51Å; R38-Y91 HydrophobicContact CG-CD2 4.37Å; R38-Y91 HydrophobicContact CG-CE1 4.46Å; R38-Y91 HydrophobicContact CG-CE2 3.67Å; K89-Y91 HydrophobicContact CB-CD2 4.46Å; K89-Y91 HydrophobicContact CB-CE2 3.77Å; K89-Y91 HydrophobicContact CD-CE2 4.47Å; K89-Y91 VanDerWaalsContact CD-OH 3.27Å; K89-Y91 WeakPolarHBondContact CD-OH 3.19Å
92	A	91.8	Very high	95.6	Very high	48 Å²	48	69.8 Å²	69.8	40%	0.397	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.4	173.1	0	0	0	0	0	109.6	P13 K14 S15	P13-A92 CarbonylContact C-O 3.44Å; P13-A92 WeakPolarHBondContact CA-O 3.21Å; K14-A92 PolarHBondContact N-O 2.7Å; S15-A92 PolarHBondContact N-O 2.87Å; S15-A92 PolarHBondContact O-N 3.07Å
93	Y	88.9	Confident	95.6	Very high	67 Å²	67	65.7 Å²	65.7	26%	0.263	30%	0.301	S	S	.	.			trans	-109.6	0	-174.6	-69.2	-88.1	0	0	0	113	A11 P13 K14 D39 L41	A11-Y93 HydrophobicContact CB-CD1 3.77Å; A11-Y93 HydrophobicContact CB-CE1 4.28Å; A11-Y93 WeakPolarHBondContact O-CE1 3.46Å; P13-Y93 HydrophobicContact CB-CD1 4.05Å; P13-Y93 HydrophobicContact CB-CE1 3.68Å; P13-Y93 HydrophobicContact CB-CE2 4.38Å; P13-Y93 HydrophobicContact CG-CE1 4.15Å; K14-Y93 VanDerWaalsContact CD-OXT 3.27Å; K14-Y93 WeakPolarHBondContact CD-OXT 3.17Å; K14-Y93 WeakPolarHBondContact CE-OXT 3.34Å; K14-Y93 WeakPolarHBondContact CG-OXT 3.21Å; K14-Y93 VanDerWaalsContact NZ-C 3.35Å; K14-Y93 PolarHBondContact NZ-O 3.02Å; K14-Y93 PolarHBondContact NZ-OXT 2.97Å; D39-Y93 WeakPolarHBondContact OD2-CE2 3.33Å; D39-Y93 VanDerWaalsContact OD2-CZ 3.23Å; D39-Y93 PolarHBondContact OD2-OH 3.1Å; L41-Y93 HydrophobicContact CD1-CD2 4.28Å; L41-Y93 HydrophobicContact CD1-CE2 4.07Å

Retrieved 93 of 93 residues in 196.6 ms (Link to these results)

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