A0A087XHA1_POEFO Loading...

L antigen family member 3

Component of the EKC/KEOPS complex that is required for the formation of a threonylcarbamoyl group on adenosine at position 37 (t(6)A37) in tRNAs that read codons beginning with adenine. The complex is probably involved in the transfer of the threonylcarbamoyl moiety of threonylcarbamoyl-AMP (TC-AMP) to the N6 group of A37. LAGE3 functions as a dimerization module for the complex.

AlphaFold DB , UniProt , Accession A0A087XHA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 105 aa.

						>A0A087XHA1_POEFO|A0A087XHA1
MSMFSPFNTTAMATETNQETGKLEFFLDVPFPSSREATMALRSLSPDREPRRGGISKQLSVSGSTLSVRWSADEARILRVSVNSFLDHLSLVVETMELFGPPVDL
					

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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	40.4	Very low	42.4	Very low	240 Å²	240	144.4 Å²	144.4	100%	1.182	80%	0.803	S	S	*	*				0	128.1	0	-148.4	123.6	159.5	0	0	106.8
2	S	39	Very low	42.2	Very low	112 Å²	112	147.1 Å²	147.1	78%	0.783	81%	0.809	S	S	*	*			trans	70.2	138.5	-174.7	105.8	0	0	0	0	115.2
3	M	42.6	Very low	42.1	Very low	183 Å²	183	142 Å²	142	90%	0.901	80%	0.798	S	S	*	*			cis	-165	145.4	-7.4	-133	163.9	-170.8	0	0	107.4
4	F	41.1	Very low	42	Very low	192 Å²	192	140.4 Å²	140.4	84%	0.842	79%	0.793	S	S	*	*			trans	-56.9	149.1	170	-78.6	-100.6	0	0	0	112.5
5	S	45.1	Very low	42.2	Very low	107 Å²	107	143.4 Å²	143.4	75%	0.748	80%	0.798	S	S	*	*				-167.4	147.9	112.3	-77.2	0	0	0	0	113.6
6	P	52.1	Low	42.3	Very low	102 Å²	102	140.9 Å²	140.9	66%	0.662	79%	0.788	S	S	*	*			trans	-108.4	140	-173.2	38	-26.2	0	0	0	113.1
7	F	36.8	Very low	42.8	Very low	203 Å²	203	141.2 Å²	141.2	89%	0.89	79%	0.787	S	S	*	*			trans	-163.3	142	168.7	-78.5	-79.7	0	0	0	107
8	N	34.9	Very low	43	Very low	132 Å²	132	141.5 Å²	141.5	71%	0.706	78%	0.782	S	S	*	*			cis	-165.9	142.4	-9.8	179.2	21.9	0	0	0	103.7
9	T	46.6	Very low	43.6	Very low	108 Å²	108	143.6 Å²	143.6	66%	0.663	79%	0.785	S	S	*	*			trans	8.6	118.8	148.9	-48.8	0	0	0	0	117.5
10	T	43.3	Very low	44.4	Very low	129 Å²	129	142.2 Å²	142.2	79%	0.791	78%	0.781	S	S	*	*			trans	-140.1	100.4	130.6	-65.2	0	0	0	0	106.6	M12	T10-M12 PolarHBondContact O-N 3.07Å; T10-M12 VanDerWaalsContact O-N 3.07Å
11	A	44.3	Very low	46	Very low	80 Å²	80	138.6 Å²	138.6	66%	0.661	78%	0.777	S	S	*	*			trans	-53.6	110.9	160.5	0	0	0	0	0	107.1	A13	A11-A13 PolarHBondContact O-N 2.75Å
12	M	40.3	Very low	48.2	Very low	177 Å²	177	133.2 Å²	133.2	87%	0.872	75%	0.747	S	S	*	*			trans	-72.1	85.3	155.1	-69.5	-152.2	-110.7	0	0	105.2	T10 T14	T10-M12 PolarHBondContact O-N 3.07Å; T10-M12 VanDerWaalsContact O-N 3.07Å; M12-T14 VanDerWaalsContact C-N 3.26Å; M12-T14 PolarHBondContact O-N 2.85Å
13	A	41.3	Very low	50.9	Low	81 Å²	81	131.3 Å²	131.3	67%	0.669	73%	0.727	S	S	*	*			trans	-55.1	105.2	157.5	0	0	0	0	0	104.9	A11 E15	A11-A13 PolarHBondContact O-N 2.75Å; A13-E15 PolarHBondContact O-N 2.93Å
14	T	40	Very low	53.4	Low	120 Å²	120	128.6 Å²	128.6	74%	0.736	71%	0.713	S	S	*	*			trans	-55.6	99.8	158.6	45.3	0	0	0	0	105	M12 T16	M12-T14 VanDerWaalsContact C-N 3.26Å; M12-T14 PolarHBondContact O-N 2.85Å; T14-T16 PolarHBondContact O-N 2.93Å
15	E	45.4	Very low	56	Low	185 Å²	185	123.4 Å²	123.4	86%	0.864	69%	0.69	S	S	*	*			trans	-59.2	85.4	157.8	-72	-178.9	164.7	0	0	105.4	A13 N17	A13-E15 PolarHBondContact O-N 2.93Å; E15-N17 PolarHBondContact O-N 2.76Å
16	T	43.2	Very low	58.5	Low	103 Å²	103	123.2 Å²	123.2	63%	0.632	68%	0.676	S	S	*	*			trans	-64.4	85.9	155.7	48.5	0	0	0	0	104.3	T14 Q18	T14-T16 PolarHBondContact O-N 2.93Å; T16-Q18 PolarHBondContact O-N 2.82Å
17	N	50.7	Low	60.7	Low	146 Å²	146	120.1 Å²	120.1	78%	0.781	65%	0.654	S	S	*	*			trans	-62.6	81.6	157.1	-170.4	7.7	0	0	0	105.1	E15 E19	E15-N17 PolarHBondContact O-N 2.76Å; N17-E19 PolarHBondContact O-N 2.92Å
18	Q	46.8	Very low	63.6	Low	147 Å²	147	114.5 Å²	114.5	69%	0.687	63%	0.633	S	S	*	*			trans	-66.6	94.7	168.8	-70.4	-173.6	-26.5	0	0	104.2	T16 T20	T16-Q18 PolarHBondContact O-N 2.82Å; Q18-T20 PolarHBondContact O-N 2.8Å
19	E	55.2	Low	66.6	Low	181 Å²	181	109.4 Å²	109.4	85%	0.846	61%	0.606	S	S	*	*			trans	-55.5	92.5	147.3	-84.4	-171.7	144.8	0	0	105.2	N17 G21	N17-E19 PolarHBondContact O-N 2.92Å; E19-G21 PolarHBondContact O-N 2.79Å
20	T	59.4	Low	69.1	Low	115 Å²	115	109 Å²	109	71%	0.706	61%	0.606	S	S	*	*			trans	-61	92.7	163.3	31.6	0	0	0	0	105.3	Q18 K22	Q18-T20 PolarHBondContact O-N 2.8Å; T20-K22 PolarHBondContact O-N 3.03Å
21	G	76.6	Confident	71.6	Confident	67 Å²	67	103.8 Å²	103.8	69%	0.691	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-53.3	116.6	-178.8	0	0	0	0	0	108.8	E19	E19-G21 PolarHBondContact O-N 2.79Å
22	K	87.7	Confident	74	Confident	128 Å²	128	105.4 Å²	105.4	56%	0.557	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-61.8	143.4	177.5	-66.1	-170.1	177	-167.8	0	109.3	T20 S71 D73	T20-K22 PolarHBondContact O-N 3.03Å; K22-S71 WeakPolarHBondContact CB-OG 3.26Å; K22-S71 WeakPolarHBondContact CD-OG 3.48Å; K22-D73 VanDerWaalsContact CE-OD1 3.23Å; K22-D73 WeakPolarHBondContact CE-OD1 3.23Å; K22-D73 IonicContact NZ-OD1 2.89Å
23	L	95	Very high	76.6	Confident	71 Å²	71	98.9 Å²	98.9	37%	0.372	55%	0.548	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	127.9	174.7	-64	163	0	0	0	109	S71 A72 A75 L78	L23-S71 CarbonylContact O-C 3.5Å; L23-S71 VanDerWaalsContact O-CA 3.28Å; L23-S71 WeakPolarHBondContact O-CA 3.35Å; L23-A72 PolarHBondContact N-O 3.11Å; L23-A72 PolarHBondContact O-N 2.84Å; L23-A75 VanDerWaalsContact CD1-CA 3.41Å; L23-A75 HydrophobicContact CD1-CB 3.68Å; L23-L78 HydrophobicContact CB-CD2 3.83Å
24	E	95.5	Very high	79.2	Confident	126 Å²	126	98 Å²	98	59%	0.589	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	144	179	-60	-168.2	137.6	0	0	111.1	F26 W70	E24-F26 HydrophobicContact CB-CE1 4.43Å; E24-F26 HydrophobicContact CB-CE2 4.24Å; E24-F26 HydrophobicContact CB-CZ 3.94Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.28Å; E24-W70 WeakPolarHBondContact CA-O 3.32Å
25	F	96.3	Very high	81.7	Confident	84 Å²	84	96.4 Å²	96.4	37%	0.368	52%	0.517	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.8	171.4	-171.2	-97	0	0	0	109.8	L27 W70 L78 V82	F25-L27 HydrophobicContact CE1-CB 4.14Å; F25-W70 HydrophobicContact CB-CB 4.33Å; F25-W70 HydrophobicContact CB-CE3 4.41Å; F25-W70 AromaticContact CD1-CE3 3.72Å; F25-W70 HydrophobicContact CD1-CE3 3.72Å; F25-W70 AromaticContact CD1-CZ3 3.78Å; F25-W70 HydrophobicContact CD1-CZ3 3.78Å; F25-W70 HydrophobicContact CE1-CZ3 4.25Å; F25-W70 PolarHBondContact N-O 2.8Å; F25-W70 VanDerWaalsContact N-O 3.11Å; F25-W70 PolarHBondContact O-N 3.23Å; F25-L78 HydrophobicContact CB-CD1 3.91Å; F25-L78 HydrophobicContact CB-CD2 4.14Å; F25-L78 HydrophobicContact CB-CG 4.34Å; F25-V82 HydrophobicContact CB-CG2 4.46Å; F25-V82 HydrophobicContact CD1-CG1 4.27Å; F25-V82 HydrophobicContact CD1-CG2 3.74Å; F25-V82 HydrophobicContact CE1-CG1 3.92Å; F25-V82 HydrophobicContact CE1-CG2 4.24Å; F25-V82 HydrophobicContact CG-CG2 4.19Å; F25-V82 HydrophobicContact CZ-CG1 4.43Å
26	F	97.3	Very high	84.1	Confident	102 Å²	102	89.6 Å²	89.6	45%	0.447	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	128.9	-173.4	-58.5	-48	0	0	0	109.5	E24 V68 R69	E24-F26 HydrophobicContact CB-CE1 4.43Å; E24-F26 HydrophobicContact CB-CE2 4.24Å; E24-F26 HydrophobicContact CB-CZ 3.94Å; E24-F26 WeakPolarHBondContact OE2-CZ 3.28Å; F26-V68 WeakPolarHBondContact CA-O 3.15Å; F26-R69 HydrophobicContact CD1-CB 4.07Å; F26-R69 HydrophobicContact CD1-CG 4.14Å; F26-R69 VanDerWaalsContact CD1-NH1 3.3Å; F26-R69 HydrophobicContact CE1-CB 4.21Å; F26-R69 HydrophobicContact CE1-CG 4.44Å
27	L	97.7	Very high	86.6	Confident	38 Å²	38	84.7 Å²	84.7	20%	0.199	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	127.3	178	-178.5	65.4	0	0	0	109.2	F25 V29 S67 V68 W70 F85 L86	F25-L27 HydrophobicContact CE1-CB 4.14Å; L27-V29 HydrophobicContact CD1-CG2 4.3Å; L27-V29 HydrophobicContact CD2-CG2 3.88Å; L27-V29 HydrophobicContact CG-CG2 3.76Å; L27-S67 CarbonylContact O-C 3.54Å; L27-S67 WeakPolarHBondContact O-CA 3.46Å; L27-V68 PolarHBondContact N-O 3.01Å; L27-V68 PolarHBondContact O-N 2.94Å; L27-W70 HydrophobicContact CB-CH2 4.17Å; L27-W70 HydrophobicContact CB-CZ3 3.72Å; L27-W70 HydrophobicContact CD2-CH2 4.22Å; L27-F85 HydrophobicContact CD2-CD1 4.21Å; L27-F85 HydrophobicContact CD2-CE1 3.86Å; L27-L86 HydrophobicContact CD2-CD2 3.75Å
28	D	98.2	Very high	88.7	Confident	84 Å²	84	79.9 Å²	79.9	45%	0.449	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.9	171.7	-65.5	-40.9	0	0	0	108.2	T65 L66 S67 R69	D28-T65 HydrophobicContact CB-CG2 3.92Å; D28-L66 WeakPolarHBondContact CA-O 3.29Å; D28-S67 WeakPolarHBondContact OD1-CA 3.31Å; D28-S67 VanDerWaalsContact OD1-CB 3.23Å; D28-S67 WeakPolarHBondContact OD1-CB 3.23Å; D28-S67 PolarHBondContact OD1-OG 3.06Å; D28-R69 VanDerWaalsContact CG-NH2 3.35Å; D28-R69 IonicContact OD1-CZ 3.01Å; D28-R69 IonicContact OD1-NH2 3.89Å; D28-R69 PolarHBondContact OD1-NH2 2.75Å; D28-R69 IonicContact OD2-NH2 3.8Å; D28-R69 PolarHBondContact OD2-NH2 3.14Å
29	V	97.9	Very high	91	Very high	25 Å²	25	75.7 Å²	75.7	15%	0.152	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.3	-176	-173.5	0	0	0	0	108.8	L27 F31 T65 L66 L89	L27-V29 HydrophobicContact CD1-CG2 4.3Å; L27-V29 HydrophobicContact CD2-CG2 3.88Å; L27-V29 HydrophobicContact CG-CG2 3.76Å; V29-F31 HydrophobicContact CB-CE2 4.1Å; V29-F31 HydrophobicContact CG1-CD2 4.32Å; V29-F31 HydrophobicContact CG1-CE2 3.73Å; V29-F31 HydrophobicContact CG1-CZ 4.22Å; V29-F31 WeakPolarHBondContact O-CD2 3.49Å; V29-T65 WeakPolarHBondContact O-CA 3.39Å; V29-L66 HydrophobicContact CB-CB 4.41Å; V29-L66 PolarHBondContact N-O 2.86Å; V29-L66 PolarHBondContact O-N 3.05Å; V29-L89 HydrophobicContact CG1-CD2 4.27Å; V29-L89 HydrophobicContact CG2-CD2 3.9Å
30	P	97.9	Very high	92.9	Very high	101 Å²	101	67 Å²	67	66%	0.656	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.8	174.3	30.3	-32.4	0	0	0	110.7
31	F	96.6	Very high	94.6	Very high	18 Å²	18	63.4 Å²	63.4	8%	0.079	35%	0.348	C	S	.	.			trans	-110.3	159.1	170.1	-73.9	-98.1	0	0	0	110.5	V29 S33 E36 A37 A40 S64 L66 L89 V93 M96	V29-F31 HydrophobicContact CB-CE2 4.1Å; V29-F31 HydrophobicContact CG1-CD2 4.32Å; V29-F31 HydrophobicContact CG1-CE2 3.73Å; V29-F31 HydrophobicContact CG1-CZ 4.22Å; V29-F31 WeakPolarHBondContact O-CD2 3.49Å; F31-S33 PolarHBondContact O-N 3.26Å; F31-E36 HydrophobicContact CB-CB 4.15Å; F31-E36 HydrophobicContact CD1-CB 4.04Å; F31-E36 HydrophobicContact CG-CB 4.45Å; F31-A37 HydrophobicContact CB-CB 4.04Å; F31-A37 HydrophobicContact CD2-CB 3.96Å; F31-A37 HydrophobicContact CG-CB 4.16Å; F31-A40 HydrophobicContact CE1-CB 3.68Å; F31-A40 HydrophobicContact CE2-CB 3.94Å; F31-A40 HydrophobicContact CZ-CB 3.31Å; F31-S64 PolarHBondContact N-O 3.27Å; F31-S64 WeakPolarHBondContact O-CB 3.34Å; F31-S64 PolarHBondContact O-OG 2.89Å; F31-L66 HydrophobicContact CD2-CB 4.22Å; F31-L66 HydrophobicContact CE2-CB 3.75Å; F31-L66 HydrophobicContact CE2-CD2 4.09Å; F31-L66 HydrophobicContact CZ-CD2 4.49Å; F31-L89 HydrophobicContact CZ-CD1 3.91Å; F31-V93 HydrophobicContact CE1-CG2 4.14Å; F31-V93 HydrophobicContact CZ-CG2 4.47Å; F31-M96 HydrophobicContact CD1-SD 4.43Å; F31-M96 HydrophobicContact CE1-SD 4.13Å
32	P	94.4	Very high	95.5	Very high	114 Å²	114	69.2 Å²	69.2	74%	0.74	35%	0.349	S	S	*	.	S	Bend	trans	-61.5	-29	179.2	-19	29.6	0	0	0	113.5	E36	P32-E36 VanDerWaalsContact CB-OE2 3.26Å; P32-E36 WeakPolarHBondContact CB-OE2 3.42Å; P32-E36 WeakPolarHBondContact CD-OE2 3.47Å
33	S	94.7	Very high	95.8	Very high	40 Å²	40	66.5 Å²	66.5	28%	0.28	35%	0.346	S	S	.	.	S	Bend	trans	-140.6	158.6	178	70.5	0	0	0	0	113.5	F31 R35 E36 A37	F31-S33 PolarHBondContact O-N 3.26Å; S33-R35 PolarHBondContact O-N 2.9Å; S33-E36 WeakPolarHBondContact CB-OE2 3.5Å; S33-E36 PolarHBondContact N-OE2 3.47Å; S33-E36 PolarHBondContact O-N 3.48Å; S33-E36 VanDerWaalsContact OG-CD 3.31Å; S33-E36 WeakPolarHBondContact OG-CG 3.48Å; S33-E36 PolarHBondContact OG-N 3.01Å; S33-E36 VanDerWaalsContact OG-N 3.13Å; S33-E36 PolarHBondContact OG-OE2 2.75Å; S33-A37 PolarHBondContact O-N 3.05Å; S33-A37 VanDerWaalsContact O-N 3.11Å
34	S	95.8	Very high	95.6	Very high	63 Å²	63	63.8 Å²	63.8	44%	0.441	33%	0.332	S	S	.	.	H	α-helix	trans	-60.4	-30.9	172.2	-174.5	0	0	0	0	112.6	T38 G63	S34-T38 WeakPolarHBondContact O-CB 3.34Å; S34-T38 PolarHBondContact O-N 2.89Å; S34-T38 PolarHBondContact O-OG1 2.62Å; S34-G63 VanDerWaalsContact CA-O 3.25Å; S34-G63 WeakPolarHBondContact CA-O 3.5Å; S34-G63 WeakPolarHBondContact CB-O 3.3Å; S34-G63 PolarHBondContact OG-O 2.94Å
35	R	93.8	Very high	95.1	Very high	87 Å²	87	60.9 Å²	60.9	33%	0.328	33%	0.326	S	S	.	.	H	α-helix	trans	-67.9	-47.2	178.6	-171.4	168.6	-176.4	-137.9	-12.6	111.6	S33 T38 M39 P102 V103 D104	S33-R35 PolarHBondContact O-N 2.9Å; R35-T38 WeakPolarHBondContact O-CB 3.22Å; R35-T38 PolarHBondContact O-N 3.23Å; R35-M39 HydrophobicContact CG-CE 3.82Å; R35-M39 HydrophobicContact CG-SD 4.35Å; R35-M39 VanDerWaalsContact O-CG 3.31Å; R35-M39 WeakPolarHBondContact O-CG 3.23Å; R35-M39 PolarHBondContact O-N 2.8Å; R35-P102 VanDerWaalsContact NH1-C 3.32Å; R35-P102 PolarHBondContact NH1-O 3.44Å; R35-V103 PolarHBondContact NH2-O 2.86Å; R35-D104 IonicContact CZ-OD1 3.93Å; R35-D104 IonicContact NH1-OD1 3.02Å; R35-D104 PolarHBondContact NH1-OD1 3.13Å
36	E	94.6	Very high	93.7	Very high	41 Å²	41	61.9 Å²	61.9	19%	0.192	34%	0.341	C	S	.	.	H	α-helix	trans	-63.9	-42.5	175.7	-70.6	157.6	139.2	0	0	111.6	F31 P32 S33 T38 M39 A40 M96	F31-E36 HydrophobicContact CB-CB 4.15Å; F31-E36 HydrophobicContact CD1-CB 4.04Å; F31-E36 HydrophobicContact CG-CB 4.45Å; P32-E36 VanDerWaalsContact CB-OE2 3.26Å; P32-E36 WeakPolarHBondContact CB-OE2 3.42Å; P32-E36 WeakPolarHBondContact CD-OE2 3.47Å; S33-E36 WeakPolarHBondContact CB-OE2 3.5Å; S33-E36 PolarHBondContact N-OE2 3.47Å; S33-E36 PolarHBondContact O-N 3.48Å; S33-E36 VanDerWaalsContact OG-CD 3.31Å; S33-E36 WeakPolarHBondContact OG-CG 3.48Å; S33-E36 PolarHBondContact OG-N 3.01Å; S33-E36 VanDerWaalsContact OG-N 3.13Å; S33-E36 PolarHBondContact OG-OE2 2.75Å; E36-T38 VanDerWaalsContact C-N 3.27Å; E36-T38 PolarHBondContact O-N 3.43Å; E36-M39 WeakPolarHBondContact O-CB 3.49Å; E36-M39 PolarHBondContact O-N 2.92Å; E36-M39 VanDerWaalsContact O-N 3.12Å; E36-A40 PolarHBondContact O-N 2.97Å; E36-M96 HydrophobicContact CB-SD 4.34Å; E36-M96 WeakPolarHBondContact O-CE 3.3Å
37	A	96.5	Very high	91.9	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-57.4	-42.7	174.2	0	0	0	0	0	111.8	F31 S33 A40 L41 V61	F31-A37 HydrophobicContact CB-CB 4.04Å; F31-A37 HydrophobicContact CD2-CB 3.96Å; F31-A37 HydrophobicContact CG-CB 4.16Å; S33-A37 PolarHBondContact O-N 3.05Å; S33-A37 VanDerWaalsContact O-N 3.11Å; A37-A40 PolarHBondContact O-N 2.9Å; A37-L41 PolarHBondContact O-N 2.88Å; A37-V61 HydrophobicContact CB-CG1 3.73Å; A37-V61 HydrophobicContact CB-CG2 4.21Å; A37-V61 WeakPolarHBondContact O-CG2 3.45Å
38	T	95.4	Very high	89.9	Confident	45 Å²	45	72.7 Å²	72.7	28%	0.276	39%	0.388	S	S	.	.	H	α-helix	trans	-65.7	-39.3	176.6	-59.4	0	0	0	0	112	S34 R35 E36 R42	S34-T38 WeakPolarHBondContact O-CB 3.34Å; S34-T38 PolarHBondContact O-N 2.89Å; S34-T38 PolarHBondContact O-OG1 2.62Å; R35-T38 WeakPolarHBondContact O-CB 3.22Å; R35-T38 PolarHBondContact O-N 3.23Å; E36-T38 VanDerWaalsContact C-N 3.27Å; E36-T38 PolarHBondContact O-N 3.43Å; T38-R42 VanDerWaalsContact O-CG 3.31Å; T38-R42 WeakPolarHBondContact O-CG 3.33Å; T38-R42 PolarHBondContact O-N 3.49Å; T38-R42 VanDerWaalsContact O-N 3.1Å
39	M	94.2	Very high	87.7	Confident	59 Å²	59	76.4 Å²	76.4	29%	0.291	40%	0.403	S	S	.	.	H	α-helix	trans	-63.5	-45.5	174.7	-71.9	172.3	173.3	0	0	110.9	R35 E36 L41 R42 S43 M96 P102	R35-M39 HydrophobicContact CG-CE 3.82Å; R35-M39 HydrophobicContact CG-SD 4.35Å; R35-M39 VanDerWaalsContact O-CG 3.31Å; R35-M39 WeakPolarHBondContact O-CG 3.23Å; R35-M39 PolarHBondContact O-N 2.8Å; E36-M39 WeakPolarHBondContact O-CB 3.49Å; E36-M39 PolarHBondContact O-N 2.92Å; E36-M39 VanDerWaalsContact O-N 3.12Å; M39-L41 PolarHBondContact O-N 3.5Å; M39-R42 PolarHBondContact O-N 3Å; M39-S43 PolarHBondContact O-N 3.17Å; M39-S43 PolarHBondContact O-OG 3.48Å; M39-S43 VanDerWaalsContact O-OG 3.06Å; M39-M96 HydrophobicContact CB-CE 3.47Å; M39-M96 VanDerWaalsContact CB-CE 3.47Å; M39-P102 HydrophobicContact CE-CB 3.4Å; M39-P102 HydrophobicContact CE-CG 3.97Å; M39-P102 HydrophobicContact SD-CB 3.66Å; M39-P102 HydrophobicContact SD-CG 3.69Å
40	A	95.6	Very high	85.7	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-61.5	-44.9	177.9	0	0	0	0	0	111.5	F31 E36 A37 R42 S43 L44 L66 V92 M96	F31-A40 HydrophobicContact CE1-CB 3.68Å; F31-A40 HydrophobicContact CE2-CB 3.94Å; F31-A40 HydrophobicContact CZ-CB 3.31Å; E36-A40 PolarHBondContact O-N 2.97Å; A37-A40 PolarHBondContact O-N 2.9Å; A40-R42 VanDerWaalsContact C-N 3.34Å; A40-R42 PolarHBondContact O-N 3.16Å; A40-S43 PolarHBondContact O-N 2.9Å; A40-L44 HydrophobicContact CB-CD1 4.39Å; A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.43Å; A40-L44 WeakPolarHBondContact O-CD1 3.36Å; A40-L44 WeakPolarHBondContact O-CG 3.42Å; A40-L44 PolarHBondContact O-N 3.02Å; A40-L66 HydrophobicContact CB-CD2 4.28Å; A40-V92 HydrophobicContact CB-CG1 4.05Å; A40-M96 HydrophobicContact CB-CE 3.93Å
41	L	95.9	Very high	83.9	Confident	39 Å²	39	81.3 Å²	81.3	20%	0.204	42%	0.416	C	S	.	.	H	α-helix	trans	-52.9	-52.2	173.8	176.6	67.3	0	0	0	111.4	A37 M39 S43 L44 S45 L59 V61 L66	A37-L41 PolarHBondContact O-N 2.88Å; M39-L41 PolarHBondContact O-N 3.5Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 2.9Å; L41-L44 PolarHBondContact O-N 3.49Å; L41-S45 VanDerWaalsContact O-CB 3.23Å; L41-S45 WeakPolarHBondContact O-CB 3.36Å; L41-S45 PolarHBondContact O-N 2.99Å; L41-S45 PolarHBondContact O-OG 3.38Å; L41-L59 HydrophobicContact CD1-CB 3.43Å; L41-L59 VanDerWaalsContact CD1-CB 3.43Å; L41-L59 HydrophobicContact CD1-CD2 4.21Å; L41-L59 HydrophobicContact CD1-CG 4.48Å; L41-V61 HydrophobicContact CB-CG2 3.68Å; L41-V61 HydrophobicContact CD2-CB 4.36Å; L41-V61 HydrophobicContact CD2-CG2 3.87Å; L41-V61 HydrophobicContact CG-CG2 4.23Å; L41-L66 HydrophobicContact CB-CD1 3.96Å; L41-L66 HydrophobicContact CD1-CD1 3.84Å
42	R	93.8	Very high	82.2	Confident	188 Å²	188	91.8 Å²	91.8	71%	0.709	46%	0.455	S	S	*	.	H	α-helix	trans	-63.3	-39.9	-177.6	-71.7	175	179.4	-164.5	1.1	112.2	T38 M39 A40 S45	T38-R42 VanDerWaalsContact O-CG 3.31Å; T38-R42 WeakPolarHBondContact O-CG 3.33Å; T38-R42 PolarHBondContact O-N 3.49Å; T38-R42 VanDerWaalsContact O-N 3.1Å; M39-R42 PolarHBondContact O-N 3Å; A40-R42 VanDerWaalsContact C-N 3.34Å; A40-R42 PolarHBondContact O-N 3.16Å; R42-S45 PolarHBondContact O-OG 2.98Å
43	S	93.9	Very high	81	Confident	72 Å²	72	88.1 Å²	88.1	50%	0.503	44%	0.439	S	S	.	.	H	α-helix	trans	-69.2	-33.9	177.4	-59.9	0	0	0	0	112.7	M39 A40 L41	M39-S43 PolarHBondContact O-N 3.17Å; M39-S43 PolarHBondContact O-OG 3.48Å; M39-S43 VanDerWaalsContact O-OG 3.06Å; A40-S43 PolarHBondContact O-N 2.9Å; L41-S43 VanDerWaalsContact C-N 3.35Å; L41-S43 PolarHBondContact O-N 2.9Å
44	L	92.7	Very high	80.5	Confident	13 Å²	13	87.8 Å²	87.8	7%	0.068	44%	0.441	C	S	.	.	H	α-helix	trans	-92.3	-2.8	-176.6	-64.5	166.5	0	0	0	113.7	A40 L41 P46 L59 L66 F85 H88 L89 V92	A40-L44 HydrophobicContact CB-CD1 4.39Å; A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.43Å; A40-L44 WeakPolarHBondContact O-CD1 3.36Å; A40-L44 WeakPolarHBondContact O-CG 3.42Å; A40-L44 PolarHBondContact O-N 3.02Å; L41-L44 PolarHBondContact O-N 3.49Å; L44-P46 WeakPolarHBondContact O-CD 3.3Å; L44-L59 HydrophobicContact CB-CD2 3.91Å; L44-L66 HydrophobicContact CD1-CD2 3.81Å; L44-F85 HydrophobicContact CB-CE2 4.05Å; L44-F85 HydrophobicContact CD1-CE2 3.91Å; L44-F85 HydrophobicContact CD1-CZ 3.85Å; L44-F85 HydrophobicContact CD2-CE2 4.35Å; L44-F85 HydrophobicContact CG-CE2 4.33Å; L44-H88 HydrophobicContact CD2-CB 3.62Å; L44-L89 HydrophobicContact CD1-CB 4.32Å; L44-L89 HydrophobicContact CD1-CD1 3.73Å; L44-V92 HydrophobicContact CD2-CG2 3.96Å; L44-V92 HydrophobicContact CG-CG2 4.16Å
45	S	84.9	Confident	80.2	Confident	66 Å²	66	86.9 Å²	86.9	46%	0.462	43%	0.431	S	S	.	.			trans	-108.7	48.9	176.2	74.1	0	0	0	0	115.2	L41 R42	L41-S45 VanDerWaalsContact O-CB 3.23Å; L41-S45 WeakPolarHBondContact O-CB 3.36Å; L41-S45 PolarHBondContact O-N 2.99Å; L41-S45 PolarHBondContact O-OG 3.38Å; R42-S45 PolarHBondContact O-OG 2.98Å
46	P	66	Low	80.1	Confident	105 Å²	105	84.5 Å²	84.5	68%	0.682	43%	0.428	S	S	*	.			trans	-72.9	159.5	167.3	20.7	-14.4	0	0	0	111.5	L44	L44-P46 WeakPolarHBondContact O-CD 3.3Å
47	D	58.5	Low	79.9	Confident	163 Å²	163	86.2 Å²	86.2	87%	0.872	43%	0.434	S	S	*	.			trans	-42	146.3	-157	-110.4	-46.1	0	0	0	117.1	E49	D47-E49 PolarHBondContact O-N 2.79Å
48	R	56.1	Low	79.7	Confident	204 Å²	204	92.1 Å²	92.1	77%	0.77	46%	0.462	S	S	*	.			trans	-68.3	98.3	179.1	-71.3	-179	177.9	173.5	1.5	109.8
49	E	53.1	Low	79.7	Confident	162 Å²	162	92 Å²	92	76%	0.757	46%	0.46	S	S	*	.			trans	-50.7	136.3	164.6	-167.5	65.6	-138.4	0	0	109.2	D47 R51	D47-E49 PolarHBondContact O-N 2.79Å; E49-R51 PolarHBondContact O-N 2.85Å; E49-R51 VanDerWaalsContact O-N 3.12Å
50	P	56	Low	79.8	Confident	85 Å²	85	92.2 Å²	92.2	55%	0.552	47%	0.467	S	S	*	.			trans	-52.4	123.1	180	-24.9	33.8	0	0	0	110.6	R52	P50-R52 VanDerWaalsContact C-N 3.32Å; P50-R52 PolarHBondContact O-N 2.83Å
51	R	59.5	Low	79.9	Confident	143 Å²	143	94.1 Å²	94.1	54%	0.54	48%	0.478	S	S	.	.			trans	-66.4	85.3	-173.2	-61.1	179.1	-169.9	-88.8	1.3	110.9	E49	E49-R51 PolarHBondContact O-N 2.85Å; E49-R51 VanDerWaalsContact O-N 3.12Å
52	R	60.3	Low	80	Confident	238 Å²	238	96.5 Å²	96.5	90%	0.898	50%	0.498	S	S	*	.			trans	-100.3	-0.5	173.7	-63	-162.8	-171.2	-154.3	5	113.7	P50	P50-R52 VanDerWaalsContact C-N 3.32Å; P50-R52 PolarHBondContact O-N 2.83Å
53	G	68.8	Low	80.1	Confident	38 Å²	38	89.9 Å²	89.9	39%	0.392	49%	0.488	S	S	.	.	S	Bend	trans	-121.1	29.1	-158.1	0	0	0	0	0	118.5	I55	G53-I55 PolarHBondContact O-N 2.84Å
54	G	85.3	Confident	80.3	Confident	32 Å²	32	88.6 Å²	88.6	33%	0.33	48%	0.479	S	S	.	.	S	Bend	trans	57.7	20.6	172.1	0	0	0	0	0	115.6	A72 D73	G54-A72 CarbonylContact O-C 3.58Å; G54-A72 VanDerWaalsContact O-CA 3.3Å; G54-A72 WeakPolarHBondContact O-CA 3.39Å; G54-D73 VanDerWaalsContact CA-OD2 3.22Å; G54-D73 WeakPolarHBondContact CA-OD2 3.32Å; G54-D73 PolarHBondContact O-N 3.4Å
55	I	89.7	Confident	80.6	Confident	45 Å²	45	90 Å²	90	23%	0.231	49%	0.488	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	139.2	-177.2	-169.5	161	0	0	0	111.8	G53 S71 A72 I77	G53-I55 PolarHBondContact O-N 2.84Å; I55-S71 CarbonylContact C-O 3.59Å; I55-S71 WeakPolarHBondContact CA-O 3.32Å; I55-A72 HydrophobicContact CB-CB 4.19Å; I55-A72 HydrophobicContact CD1-CB 3.97Å; I55-A72 HydrophobicContact CG1-CB 3.9Å; I55-I77 HydrophobicContact CB-CG2 3.82Å; I55-I77 HydrophobicContact CD1-CG2 3.93Å; I55-I77 HydrophobicContact CG1-CG2 4.48Å; I55-I77 HydrophobicContact CG2-CG2 3.97Å
56	S	90.4	Very high	81.2	Confident	36 Å²	36	86.9 Å²	86.9	25%	0.252	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.2	169.4	-175.2	0	0	0	0	108.8	W70 S71	S56-W70 CarbonylContact O-C 3.57Å; S56-W70 VanDerWaalsContact O-CA 3.23Å; S56-W70 WeakPolarHBondContact O-CA 3.41Å; S56-S71 PolarHBondContact N-O 3.26Å; S56-S71 PolarHBondContact O-N 2.84Å
57	K	91.4	Very high	82.7	Confident	77 Å²	77	82.6 Å²	82.6	34%	0.335	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.7	173.9	-174.1	179.3	67.8	170.9	0	108.1	L59 V68 R69 W70	K57-L59 HydrophobicContact CD-CD1 4.05Å; K57-L59 HydrophobicContact CG-CD1 3.82Å; K57-V68 HydrophobicContact CD-CG1 4.32Å; K57-V68 HydrophobicContact CG-CG1 3.95Å; K57-R69 CarbonylContact C-O 3.57Å; K57-R69 WeakPolarHBondContact CA-O 3.46Å; K57-W70 HydrophobicContact CD-CZ2 4.07Å; K57-W70 VanDerWaalsContact CD-NE1 3.31Å; K57-W70 HydrophobicContact CG-CD2 4.35Å; K57-W70 HydrophobicContact CG-CG 4.33Å; K57-W70 HydrophobicContact CG-CZ2 4.45Å
58	Q	93.3	Very high	84.5	Confident	125 Å²	125	74.9 Å²	74.9	58%	0.584	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	134.5	178	-63.5	176.2	4.4	0	0	108.9	V68 R69	Q58-V68 CarbonylContact O-C 3.53Å; Q58-V68 VanDerWaalsContact O-CA 3.3Å; Q58-V68 WeakPolarHBondContact O-CA 3.45Å; Q58-V68 WeakPolarHBondContact O-CG1 3.34Å; Q58-R69 HydrophobicContact CB-CB 4.45Å; Q58-R69 PolarHBondContact N-O 3.4Å; Q58-R69 PolarHBondContact O-N 3.25Å
59	L	95.3	Very high	86.4	Confident	43 Å²	43	69.1 Å²	69.1	23%	0.225	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	140.3	177.4	-68.5	71.2	0	0	0	108.3	L41 L44 K57 S67 V68 F85	L41-L59 HydrophobicContact CD1-CB 3.43Å; L41-L59 VanDerWaalsContact CD1-CB 3.43Å; L41-L59 HydrophobicContact CD1-CD2 4.21Å; L41-L59 HydrophobicContact CD1-CG 4.48Å; L44-L59 HydrophobicContact CB-CD2 3.91Å; K57-L59 HydrophobicContact CD-CD1 4.05Å; K57-L59 HydrophobicContact CG-CD1 3.82Å; L59-S67 CarbonylContact C-O 3.52Å; L59-S67 WeakPolarHBondContact CA-O 3.33Å; L59-V68 HydrophobicContact CD1-CG1 4Å; L59-V68 HydrophobicContact CG-CG1 3.94Å; L59-V68 HydrophobicContact CG-CG2 3.96Å; L59-F85 HydrophobicContact CD2-CE2 3.89Å; L59-F85 HydrophobicContact CG-CE2 4.47Å
60	S	96.3	Very high	88.4	Confident	62 Å²	62	61.5 Å²	61.5	43%	0.434	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161.5	173.6	58.8	0	0	0	0	110.4	S67	S60-S67 PolarHBondContact N-O 3.26Å; S60-S67 PolarHBondContact O-N 3.33Å
61	V	97.7	Very high	90.2	Very high	41 Å²	41	58.6 Å²	58.6	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.4	172.4	169.5	0	0	0	0	108.8	A37 L41 G63 T65 L66	A37-V61 HydrophobicContact CB-CG1 3.73Å; A37-V61 HydrophobicContact CB-CG2 4.21Å; A37-V61 WeakPolarHBondContact O-CG2 3.45Å; L41-V61 HydrophobicContact CB-CG2 3.68Å; L41-V61 HydrophobicContact CD2-CB 4.36Å; L41-V61 HydrophobicContact CD2-CG2 3.87Å; L41-V61 HydrophobicContact CG-CG2 4.23Å; V61-G63 WeakPolarHBondContact CG1-O 3.45Å; V61-T65 VanDerWaalsContact CA-O 3.3Å; V61-T65 WeakPolarHBondContact CA-O 3.39Å; V61-L66 HydrophobicContact CG2-CB 4.38Å; V61-L66 HydrophobicContact CG2-CD1 3.83Å
62	S	97.1	Very high	91.8	Very high	89 Å²	89	51.8 Å²	51.8	62%	0.622	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.4	115.6	170.9	-175.9	0	0	0	0	108.6	S64 T65	S62-S64 PolarHBondContact O-N 2.85Å; S62-S64 VanDerWaalsContact O-N 3.16Å; S62-T65 PolarHBondContact N-O 2.77Å; S62-T65 PolarHBondContact O-N 2.97Å
63	G	96.9	Very high	93.3	Very high	48 Å²	48	44.6 Å²	44.6	50%	0.495	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	-118.5	-171.9	0	0	0	0	0	110.9	S34 V61	S34-G63 VanDerWaalsContact CA-O 3.25Å; S34-G63 WeakPolarHBondContact CA-O 3.5Å; S34-G63 WeakPolarHBondContact CB-O 3.3Å; S34-G63 PolarHBondContact OG-O 2.94Å; V61-G63 WeakPolarHBondContact CG1-O 3.45Å
64	S	97.3	Very high	94.4	Very high	45 Å²	45	48.2 Å²	48.2	32%	0.315	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	14.5	175.5	64.7	0	0	0	0	114.1	F31 S62	F31-S64 PolarHBondContact N-O 3.27Å; F31-S64 WeakPolarHBondContact O-CB 3.34Å; F31-S64 PolarHBondContact O-OG 2.89Å; S62-S64 PolarHBondContact O-N 2.85Å; S62-S64 VanDerWaalsContact O-N 3.16Å
65	T	98.4	Very high	94.8	Very high	43 Å²	43	49.7 Å²	49.7	26%	0.264	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.8	-179.3	-54	0	0	0	0	110.8	D28 V29 V61 S62	D28-T65 HydrophobicContact CB-CG2 3.92Å; V29-T65 WeakPolarHBondContact O-CA 3.39Å; V61-T65 VanDerWaalsContact CA-O 3.3Å; V61-T65 WeakPolarHBondContact CA-O 3.39Å; S62-T65 PolarHBondContact N-O 2.77Å; S62-T65 PolarHBondContact O-N 2.97Å
66	L	98.1	Very high	94.9	Very high	0 Å²	0	57 Å²	57	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.3	167.6	175	67.5	0	0	0	108.9	D28 V29 F31 A40 L41 L44 V61 V68 F85 L89	D28-L66 WeakPolarHBondContact CA-O 3.29Å; V29-L66 HydrophobicContact CB-CB 4.41Å; V29-L66 PolarHBondContact N-O 2.86Å; V29-L66 PolarHBondContact O-N 3.05Å; F31-L66 HydrophobicContact CD2-CB 4.22Å; F31-L66 HydrophobicContact CE2-CB 3.75Å; F31-L66 HydrophobicContact CE2-CD2 4.09Å; F31-L66 HydrophobicContact CZ-CD2 4.49Å; A40-L66 HydrophobicContact CB-CD2 4.28Å; L41-L66 HydrophobicContact CB-CD1 3.96Å; L41-L66 HydrophobicContact CD1-CD1 3.84Å; L44-L66 HydrophobicContact CD1-CD2 3.81Å; V61-L66 HydrophobicContact CG2-CB 4.38Å; V61-L66 HydrophobicContact CG2-CD1 3.83Å; L66-V68 HydrophobicContact CG-CG2 4.21Å; L66-F85 HydrophobicContact CD2-CZ 4.26Å; L66-L89 HydrophobicContact CD2-CD1 4.47Å
67	S	97.9	Very high	95	Very high	16 Å²	16	57.7 Å²	57.7	11%	0.112	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	133.6	176.9	-68.8	0	0	0	0	110.4	L27 D28 L59 S60	L27-S67 CarbonylContact O-C 3.54Å; L27-S67 WeakPolarHBondContact O-CA 3.46Å; D28-S67 WeakPolarHBondContact OD1-CA 3.31Å; D28-S67 VanDerWaalsContact OD1-CB 3.23Å; D28-S67 WeakPolarHBondContact OD1-CB 3.23Å; D28-S67 PolarHBondContact OD1-OG 3.06Å; L59-S67 CarbonylContact C-O 3.52Å; L59-S67 WeakPolarHBondContact CA-O 3.33Å; S60-S67 PolarHBondContact N-O 3.26Å; S60-S67 PolarHBondContact O-N 3.33Å
68	V	96.3	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.7	177	-165.1	0	0	0	0	110.2	F26 L27 K57 Q58 L59 L66 W70 F85	F26-V68 WeakPolarHBondContact CA-O 3.15Å; L27-V68 PolarHBondContact N-O 3.01Å; L27-V68 PolarHBondContact O-N 2.94Å; K57-V68 HydrophobicContact CD-CG1 4.32Å; K57-V68 HydrophobicContact CG-CG1 3.95Å; Q58-V68 CarbonylContact O-C 3.53Å; Q58-V68 VanDerWaalsContact O-CA 3.3Å; Q58-V68 WeakPolarHBondContact O-CA 3.45Å; Q58-V68 WeakPolarHBondContact O-CG1 3.34Å; L59-V68 HydrophobicContact CD1-CG1 4Å; L59-V68 HydrophobicContact CG-CG1 3.94Å; L59-V68 HydrophobicContact CG-CG2 3.96Å; L66-V68 HydrophobicContact CG-CG2 4.21Å; V68-W70 HydrophobicContact CB-CE3 4.2Å; V68-W70 HydrophobicContact CB-CH2 3.45Å; V68-W70 VanDerWaalsContact CB-CH2 3.45Å; V68-W70 HydrophobicContact CB-CZ2 4.22Å; V68-W70 HydrophobicContact CB-CZ3 3.45Å; V68-W70 VanDerWaalsContact CB-CZ3 3.45Å; V68-W70 HydrophobicContact CG1-CD2 4.06Å; V68-W70 HydrophobicContact CG1-CE3 3.82Å; V68-W70 HydrophobicContact CG1-CH2 3.19Å; V68-W70 HydrophobicContact CG1-CZ2 3.43Å; V68-W70 VanDerWaalsContact CG1-CZ2 3.43Å; V68-W70 HydrophobicContact CG1-CZ3 3.4Å; V68-W70 HydrophobicContact CG2-CH2 4.33Å; V68-W70 WeakPolarHBondContact O-CZ3 3.25Å; V68-F85 HydrophobicContact CB-CZ 4.45Å; V68-F85 HydrophobicContact CG1-CE2 4.49Å; V68-F85 HydrophobicContact CG2-CE1 3.93Å; V68-F85 HydrophobicContact CG2-CE2 4.05Å; V68-F85 HydrophobicContact CG2-CZ 3.49Å; V68-F85 VanDerWaalsContact CG2-CZ 3.49Å
69	R	95.9	Very high	95.1	Very high	83 Å²	83	57.4 Å²	57.4	31%	0.313	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121	-172.9	-51.1	-65.7	170	168.8	-18.7	108.6	F26 D28 K57 Q58	F26-R69 HydrophobicContact CD1-CB 4.07Å; F26-R69 HydrophobicContact CD1-CG 4.14Å; F26-R69 VanDerWaalsContact CD1-NH1 3.3Å; F26-R69 HydrophobicContact CE1-CB 4.21Å; F26-R69 HydrophobicContact CE1-CG 4.44Å; D28-R69 VanDerWaalsContact CG-NH2 3.35Å; D28-R69 IonicContact OD1-CZ 3.01Å; D28-R69 IonicContact OD1-NH2 3.89Å; D28-R69 PolarHBondContact OD1-NH2 2.75Å; D28-R69 IonicContact OD2-NH2 3.8Å; D28-R69 PolarHBondContact OD2-NH2 3.14Å; K57-R69 CarbonylContact C-O 3.57Å; K57-R69 WeakPolarHBondContact CA-O 3.46Å; Q58-R69 HydrophobicContact CB-CB 4.45Å; Q58-R69 PolarHBondContact N-O 3.4Å; Q58-R69 PolarHBondContact O-N 3.25Å
70	W	94.8	Very high	95	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.011	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147	176	-67.2	-102.3	0	0	0	111	E24 F25 L27 S56 K57 V68 L78 S81 V82 F85	E24-W70 WeakPolarHBondContact CA-O 3.32Å; F25-W70 HydrophobicContact CB-CB 4.33Å; F25-W70 HydrophobicContact CB-CE3 4.41Å; F25-W70 AromaticContact CD1-CE3 3.72Å; F25-W70 HydrophobicContact CD1-CE3 3.72Å; F25-W70 AromaticContact CD1-CZ3 3.78Å; F25-W70 HydrophobicContact CD1-CZ3 3.78Å; F25-W70 HydrophobicContact CE1-CZ3 4.25Å; F25-W70 PolarHBondContact N-O 2.8Å; F25-W70 VanDerWaalsContact N-O 3.11Å; F25-W70 PolarHBondContact O-N 3.23Å; L27-W70 HydrophobicContact CB-CH2 4.17Å; L27-W70 HydrophobicContact CB-CZ3 3.72Å; L27-W70 HydrophobicContact CD2-CH2 4.22Å; S56-W70 CarbonylContact O-C 3.57Å; S56-W70 VanDerWaalsContact O-CA 3.23Å; S56-W70 WeakPolarHBondContact O-CA 3.41Å; K57-W70 HydrophobicContact CD-CZ2 4.07Å; K57-W70 VanDerWaalsContact CD-NE1 3.31Å; K57-W70 HydrophobicContact CG-CD2 4.35Å; K57-W70 HydrophobicContact CG-CG 4.33Å; K57-W70 HydrophobicContact CG-CZ2 4.45Å; V68-W70 HydrophobicContact CB-CE3 4.2Å; V68-W70 HydrophobicContact CB-CH2 3.45Å; V68-W70 VanDerWaalsContact CB-CH2 3.45Å; V68-W70 HydrophobicContact CB-CZ2 4.22Å; V68-W70 HydrophobicContact CB-CZ3 3.45Å; V68-W70 VanDerWaalsContact CB-CZ3 3.45Å; V68-W70 HydrophobicContact CG1-CD2 4.06Å; V68-W70 HydrophobicContact CG1-CE3 3.82Å; V68-W70 HydrophobicContact CG1-CH2 3.19Å; V68-W70 HydrophobicContact CG1-CZ2 3.43Å; V68-W70 VanDerWaalsContact CG1-CZ2 3.43Å; V68-W70 HydrophobicContact CG1-CZ3 3.4Å; V68-W70 HydrophobicContact CG2-CH2 4.33Å; V68-W70 WeakPolarHBondContact O-CZ3 3.25Å; W70-L78 HydrophobicContact CB-CD1 3.45Å; W70-L78 VanDerWaalsContact CB-CD1 3.45Å; W70-L78 HydrophobicContact CG-CD1 4.04Å; W70-S81 PolarHBondContact NE1-OG 2.95Å; W70-V82 HydrophobicContact CD2-CG2 3.98Å; W70-V82 HydrophobicContact CE3-CG2 4.35Å; W70-V82 HydrophobicContact CG-CG2 4.31Å; W70-V82 HydrophobicContact CZ2-CG2 4.26Å; W70-F85 HydrophobicContact CH2-CB 4.5Å; W70-F85 AromaticContact CH2-CD1 3.68Å; W70-F85 HydrophobicContact CH2-CD1 3.68Å; W70-F85 HydrophobicContact CH2-CE1 4.12Å; W70-F85 HydrophobicContact CH2-CG 4.05Å; W70-F85 HydrophobicContact CZ2-CB 3.72Å; W70-F85 AromaticContact CZ2-CD1 3.74Å; W70-F85 HydrophobicContact CZ2-CD1 3.74Å; W70-F85 HydrophobicContact CZ2-CD2 4.27Å; W70-F85 HydrophobicContact CZ2-CE1 4.5Å; W70-F85 AromaticContact CZ2-CG 3.61Å; W70-F85 HydrophobicContact CZ2-CG 3.61Å
71	S	93.5	Very high	94.9	Very high	23 Å²	23	58 Å²	58	16%	0.161	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	124.7	167	178.3	0	0	0	0	108.1	K22 L23 I55 S56	K22-S71 WeakPolarHBondContact CB-OG 3.26Å; K22-S71 WeakPolarHBondContact CD-OG 3.48Å; L23-S71 CarbonylContact O-C 3.5Å; L23-S71 VanDerWaalsContact O-CA 3.28Å; L23-S71 WeakPolarHBondContact O-CA 3.35Å; I55-S71 CarbonylContact C-O 3.59Å; I55-S71 WeakPolarHBondContact CA-O 3.32Å; S56-S71 PolarHBondContact N-O 3.26Å; S56-S71 PolarHBondContact O-N 2.84Å
72	A	92.9	Very high	94.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	149.9	-175.7	0	0	0	0	0	112.3	L23 G54 I55 E74 L78	L23-A72 PolarHBondContact N-O 3.11Å; L23-A72 PolarHBondContact O-N 2.84Å; G54-A72 CarbonylContact O-C 3.58Å; G54-A72 VanDerWaalsContact O-CA 3.3Å; G54-A72 WeakPolarHBondContact O-CA 3.39Å; I55-A72 HydrophobicContact CB-CB 4.19Å; I55-A72 HydrophobicContact CD1-CB 3.97Å; I55-A72 HydrophobicContact CG1-CB 3.9Å; A72-E74 VanDerWaalsContact C-N 3.33Å; A72-L78 HydrophobicContact CB-CB 3.91Å; A72-L78 HydrophobicContact CB-CD1 4.29Å
73	D	91.9	Very high	94.7	Very high	88 Å²	88	56.2 Å²	56.2	47%	0.471	30%	0.296	S	S	.	.	S	Bend	trans	-77.1	-23.2	178.4	-55.2	-32.7	0	0	0	111.9	K22 G54	K22-D73 VanDerWaalsContact CE-OD1 3.23Å; K22-D73 WeakPolarHBondContact CE-OD1 3.23Å; K22-D73 IonicContact NZ-OD1 2.89Å; G54-D73 VanDerWaalsContact CA-OD2 3.22Å; G54-D73 WeakPolarHBondContact CA-OD2 3.32Å; G54-D73 PolarHBondContact O-N 3.4Å
74	E	91.9	Very high	94.5	Very high	113 Å²	113	56.4 Å²	56.4	53%	0.528	29%	0.29	S	S	.	.	S	Bend	trans	-134.5	140.4	-177.5	-66.4	178.9	-137.9	0	0	113.2	A72 R76 I77 L78	A72-E74 VanDerWaalsContact C-N 3.33Å; E74-R76 PolarHBondContact O-N 2.81Å; E74-I77 HydrophobicContact CB-CB 4.45Å; E74-I77 HydrophobicContact CB-CD1 4.01Å; E74-I77 HydrophobicContact CB-CG1 4.02Å; E74-I77 HydrophobicContact CG-CD1 4.32Å; E74-I77 PolarHBondContact O-N 3.29Å; E74-I77 VanDerWaalsContact O-N 3.14Å; E74-L78 PolarHBondContact O-N 3.35Å
75	A	93.3	Very high	94.4	Very high	64 Å²	64	54.4 Å²	54.4	53%	0.529	28%	0.275	S	S	.	.	H	α-helix	trans	-62.4	-33.1	179.8	0	0	0	0	0	112.4	L23 L78 R79	L23-A75 VanDerWaalsContact CD1-CA 3.41Å; L23-A75 HydrophobicContact CD1-CB 3.68Å; A75-L78 PolarHBondContact O-N 3.37Å; A75-R79 VanDerWaalsContact O-CB 3.29Å; A75-R79 WeakPolarHBondContact O-CB 3.34Å; A75-R79 PolarHBondContact O-N 2.87Å
76	R	93.1	Very high	94.3	Very high	199 Å²	199	55.8 Å²	55.8	75%	0.751	28%	0.281	S	S	*	.	H	α-helix	trans	-62.8	-45.5	176.3	179.7	-179.5	171.4	138.9	-0.5	111.2	E74 R79 V80	E74-R76 PolarHBondContact O-N 2.81Å; R76-R79 PolarHBondContact O-N 2.96Å; R76-V80 VanDerWaalsContact O-CG2 3.31Å; R76-V80 WeakPolarHBondContact O-CG2 3.46Å; R76-V80 PolarHBondContact O-N 3.11Å
77	I	90.8	Very high	94.2	Very high	49 Å²	49	61.1 Å²	61.1	25%	0.251	31%	0.309	S	S	.	.	H	α-helix	trans	-66.5	-44.6	-179.9	-58.5	175.6	0	0	0	109.7	I55 E74 R79 V80 S81	I55-I77 HydrophobicContact CB-CG2 3.82Å; I55-I77 HydrophobicContact CD1-CG2 3.93Å; I55-I77 HydrophobicContact CG1-CG2 4.48Å; I55-I77 HydrophobicContact CG2-CG2 3.97Å; E74-I77 HydrophobicContact CB-CB 4.45Å; E74-I77 HydrophobicContact CB-CD1 4.01Å; E74-I77 HydrophobicContact CB-CG1 4.02Å; E74-I77 HydrophobicContact CG-CD1 4.32Å; E74-I77 PolarHBondContact O-N 3.29Å; E74-I77 VanDerWaalsContact O-N 3.14Å; I77-R79 PolarHBondContact O-N 3.06Å; I77-V80 PolarHBondContact O-N 3.17Å; I77-S81 WeakPolarHBondContact O-CB 3.35Å; I77-S81 PolarHBondContact O-N 3.31Å
78	L	93.3	Very high	94.1	Very high	21 Å²	21	65.4 Å²	65.4	11%	0.11	33%	0.327	C	S	.	.	H	α-helix	trans	-56.4	-51.1	175.4	-174.1	59.1	0	0	0	111.6	L23 F25 W70 A72 E74 A75 V80 S81 V82	L23-L78 HydrophobicContact CB-CD2 3.83Å; F25-L78 HydrophobicContact CB-CD1 3.91Å; F25-L78 HydrophobicContact CB-CD2 4.14Å; F25-L78 HydrophobicContact CB-CG 4.34Å; W70-L78 HydrophobicContact CB-CD1 3.45Å; W70-L78 VanDerWaalsContact CB-CD1 3.45Å; W70-L78 HydrophobicContact CG-CD1 4.04Å; A72-L78 HydrophobicContact CB-CB 3.91Å; A72-L78 HydrophobicContact CB-CD1 4.29Å; E74-L78 PolarHBondContact O-N 3.35Å; A75-L78 PolarHBondContact O-N 3.37Å; L78-V80 PolarHBondContact O-N 2.94Å; L78-S81 PolarHBondContact O-N 3.12Å; L78-V82 HydrophobicContact CD1-CG2 4.11Å; L78-V82 HydrophobicContact CG-CG2 4.41Å; L78-V82 WeakPolarHBondContact O-CB 3.41Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 3.21Å
79	R	94.6	Very high	94.1	Very high	175 Å²	175	66.1 Å²	66.1	66%	0.66	33%	0.331	S	S	*	.	H	α-helix	trans	-58.5	-46.9	179.7	176.8	-177.7	151.9	-175.6	-5	112.1	A75 R76 I77 S81 N83	A75-R79 VanDerWaalsContact O-CB 3.29Å; A75-R79 WeakPolarHBondContact O-CB 3.34Å; A75-R79 PolarHBondContact O-N 2.87Å; R76-R79 PolarHBondContact O-N 2.96Å; I77-R79 PolarHBondContact O-N 3.06Å; R79-S81 VanDerWaalsContact C-N 3.33Å; R79-S81 PolarHBondContact O-N 3.29Å; R79-N83 WeakPolarHBondContact O-CB 3.34Å; R79-N83 VanDerWaalsContact O-CG 3.26Å; R79-N83 PolarHBondContact O-N 3.21Å; R79-N83 PolarHBondContact O-OD1 2.73Å
80	V	93.8	Very high	94.2	Very high	91 Å²	91	65 Å²	65	55%	0.552	34%	0.336	S	S	*	.	H	α-helix	trans	-62.5	-43.3	179.1	171.1	0	0	0	0	110.7	R76 I77 L78 S84	R76-V80 VanDerWaalsContact O-CG2 3.31Å; R76-V80 WeakPolarHBondContact O-CG2 3.46Å; R76-V80 PolarHBondContact O-N 3.11Å; I77-V80 PolarHBondContact O-N 3.17Å; L78-V80 PolarHBondContact O-N 2.94Å; V80-S84 WeakPolarHBondContact O-CB 3.47Å; V80-S84 PolarHBondContact O-N 2.95Å
81	S	92.9	Very high	94.2	Very high	28 Å²	28	69.7 Å²	69.7	20%	0.196	36%	0.361	C	S	.	.	H	α-helix	trans	-68	-41.9	-179.5	-170.7	0	0	0	0	113.2	W70 I77 L78 R79 F85	W70-S81 PolarHBondContact NE1-OG 2.95Å; I77-S81 WeakPolarHBondContact O-CB 3.35Å; I77-S81 PolarHBondContact O-N 3.31Å; L78-S81 PolarHBondContact O-N 3.12Å; R79-S81 VanDerWaalsContact C-N 3.33Å; R79-S81 PolarHBondContact O-N 3.29Å; S81-F85 WeakPolarHBondContact O-CB 3.31Å; S81-F85 PolarHBondContact O-N 3.24Å
82	V	94.7	Very high	94.3	Very high	14 Å²	14	69.5 Å²	69.5	9%	0.085	36%	0.358	C	S	.	.	H	α-helix	trans	-65.1	-47.8	177.3	171	0	0	0	0	110.3	F25 W70 L78 S84 F85 L86	F25-V82 HydrophobicContact CB-CG2 4.46Å; F25-V82 HydrophobicContact CD1-CG1 4.27Å; F25-V82 HydrophobicContact CD1-CG2 3.74Å; F25-V82 HydrophobicContact CE1-CG1 3.92Å; F25-V82 HydrophobicContact CE1-CG2 4.24Å; F25-V82 HydrophobicContact CG-CG2 4.19Å; F25-V82 HydrophobicContact CZ-CG1 4.43Å; W70-V82 HydrophobicContact CD2-CG2 3.98Å; W70-V82 HydrophobicContact CE3-CG2 4.35Å; W70-V82 HydrophobicContact CG-CG2 4.31Å; W70-V82 HydrophobicContact CZ2-CG2 4.26Å; L78-V82 HydrophobicContact CD1-CG2 4.11Å; L78-V82 HydrophobicContact CG-CG2 4.41Å; L78-V82 WeakPolarHBondContact O-CB 3.41Å; L78-V82 WeakPolarHBondContact O-CG2 3.46Å; L78-V82 PolarHBondContact O-N 3.21Å; V82-S84 PolarHBondContact O-N 3.03Å; V82-F85 WeakPolarHBondContact O-CB 3.45Å; V82-F85 PolarHBondContact O-N 3.46Å; V82-L86 HydrophobicContact CG1-CD1 4.11Å; V82-L86 HydrophobicContact CG1-CG 4.49Å; V82-L86 WeakPolarHBondContact O-CG 3.31Å; V82-L86 PolarHBondContact O-N 3.38Å
83	N	95.4	Very high	94.4	Very high	78 Å²	78	71.9 Å²	71.9	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-59.8	-49.8	178.8	-74	2.4	0	0	0	111.6	R79 F85 L86 D87	R79-N83 WeakPolarHBondContact O-CB 3.34Å; R79-N83 VanDerWaalsContact O-CG 3.26Å; R79-N83 PolarHBondContact O-N 3.21Å; R79-N83 PolarHBondContact O-OD1 2.73Å; N83-F85 PolarHBondContact O-N 3.41Å; N83-L86 PolarHBondContact O-N 2.91Å; N83-D87 VanDerWaalsContact O-CG 3.31Å; N83-D87 PolarHBondContact O-N 2.94Å
84	S	93.9	Very high	94.5	Very high	51 Å²	51	72.1 Å²	72.1	36%	0.357	37%	0.371	S	S	.	.	H	α-helix	trans	-59.6	-36.4	177.6	176.9	0	0	0	0	112.2	V80 V82 H88	V80-S84 WeakPolarHBondContact O-CB 3.47Å; V80-S84 PolarHBondContact O-N 2.95Å; V82-S84 PolarHBondContact O-N 3.03Å; S84-H88 PolarHBondContact O-N 2.81Å; S84-H88 PolarHBondContact O-ND1 2.98Å; S84-H88 PolarHBondContact OG-CE1 3.32Å
85	F	95.3	Very high	94.6	Very high	3 Å²	3	69.8 Å²	69.8	1%	0.013	37%	0.365	C	S	.	.	H	α-helix	trans	-65.2	-42.7	174.6	175	-92.5	0	0	0	112.4	L27 L44 L59 L66 V68 W70 S81 V82 N83 D87 H88 L89	L27-F85 HydrophobicContact CD2-CD1 4.21Å; L27-F85 HydrophobicContact CD2-CE1 3.86Å; L44-F85 HydrophobicContact CB-CE2 4.05Å; L44-F85 HydrophobicContact CD1-CE2 3.91Å; L44-F85 HydrophobicContact CD1-CZ 3.85Å; L44-F85 HydrophobicContact CD2-CE2 4.35Å; L44-F85 HydrophobicContact CG-CE2 4.33Å; L59-F85 HydrophobicContact CD2-CE2 3.89Å; L59-F85 HydrophobicContact CG-CE2 4.47Å; L66-F85 HydrophobicContact CD2-CZ 4.26Å; V68-F85 HydrophobicContact CB-CZ 4.45Å; V68-F85 HydrophobicContact CG1-CE2 4.49Å; V68-F85 HydrophobicContact CG2-CE1 3.93Å; V68-F85 HydrophobicContact CG2-CE2 4.05Å; V68-F85 HydrophobicContact CG2-CZ 3.49Å; V68-F85 VanDerWaalsContact CG2-CZ 3.49Å; W70-F85 HydrophobicContact CH2-CB 4.5Å; W70-F85 AromaticContact CH2-CD1 3.68Å; W70-F85 HydrophobicContact CH2-CD1 3.68Å; W70-F85 HydrophobicContact CH2-CE1 4.12Å; W70-F85 HydrophobicContact CH2-CG 4.05Å; W70-F85 HydrophobicContact CZ2-CB 3.72Å; W70-F85 AromaticContact CZ2-CD1 3.74Å; W70-F85 HydrophobicContact CZ2-CD1 3.74Å; W70-F85 HydrophobicContact CZ2-CD2 4.27Å; W70-F85 HydrophobicContact CZ2-CE1 4.5Å; W70-F85 AromaticContact CZ2-CG 3.61Å; W70-F85 HydrophobicContact CZ2-CG 3.61Å; S81-F85 WeakPolarHBondContact O-CB 3.31Å; S81-F85 PolarHBondContact O-N 3.24Å; V82-F85 WeakPolarHBondContact O-CB 3.45Å; V82-F85 PolarHBondContact O-N 3.46Å; N83-F85 PolarHBondContact O-N 3.41Å; F85-D87 VanDerWaalsContact C-N 3.34Å; F85-H88 PolarHBondContact O-N 2.67Å; F85-L89 HydrophobicContact CE1-CB 4.3Å; F85-L89 HydrophobicContact CE1-CD2 4.1Å; F85-L89 WeakPolarHBondContact O-CB 3.46Å; F85-L89 PolarHBondContact O-N 3.13Å
86	L	96.4	Very high	94.6	Very high	72 Å²	72	68.8 Å²	68.8	38%	0.377	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-37.7	178.7	-68.6	174.1	0	0	0	112.1	L27 V82 N83 L89 S90	L27-L86 HydrophobicContact CD2-CD2 3.75Å; V82-L86 HydrophobicContact CG1-CD1 4.11Å; V82-L86 HydrophobicContact CG1-CG 4.49Å; V82-L86 WeakPolarHBondContact O-CG 3.31Å; V82-L86 PolarHBondContact O-N 3.38Å; N83-L86 PolarHBondContact O-N 2.91Å; L86-L89 HydrophobicContact CD2-CD2 4.28Å; L86-L89 PolarHBondContact O-N 2.84Å; L86-S90 PolarHBondContact O-N 3.06Å
87	D	95.8	Very high	94.5	Very high	113 Å²	113	66.5 Å²	66.5	60%	0.604	35%	0.347	S	S	*	.	H	α-helix	trans	-60.4	-46.4	174.5	-62.1	-30.9	0	0	0	111	N83 F85 S90 L91	N83-D87 VanDerWaalsContact O-CG 3.31Å; N83-D87 PolarHBondContact O-N 2.94Å; F85-D87 VanDerWaalsContact C-N 3.34Å; D87-S90 PolarHBondContact O-N 3.23Å; D87-L91 PolarHBondContact O-N 3.12Å
88	H	95.3	Very high	94.5	Very high	105 Å²	105	70.6 Å²	70.6	49%	0.486	37%	0.369	S	S	.	.	H	α-helix	trans	-66.4	-38	175.8	-65	119.4	0	0	0	112.5	L44 S84 F85 L91 V92	L44-H88 HydrophobicContact CD2-CB 3.62Å; S84-H88 PolarHBondContact O-N 2.81Å; S84-H88 PolarHBondContact O-ND1 2.98Å; S84-H88 PolarHBondContact OG-CE1 3.32Å; F85-H88 PolarHBondContact O-N 2.67Å; H88-L91 PolarHBondContact O-N 3.1Å; H88-V92 WeakPolarHBondContact O-CG2 3.18Å; H88-V92 PolarHBondContact O-N 3.3Å
89	L	96.7	Very high	94.2	Very high	15 Å²	15	77.3 Å²	77.3	8%	0.079	40%	0.398	C	S	.	.	H	α-helix	trans	-62.6	-43.3	176.5	174.9	64.6	0	0	0	111	V29 F31 L44 L66 F85 L86 L91 V92 V93	V29-L89 HydrophobicContact CG1-CD2 4.27Å; V29-L89 HydrophobicContact CG2-CD2 3.9Å; F31-L89 HydrophobicContact CZ-CD1 3.91Å; L44-L89 HydrophobicContact CD1-CB 4.32Å; L44-L89 HydrophobicContact CD1-CD1 3.73Å; L66-L89 HydrophobicContact CD2-CD1 4.47Å; F85-L89 HydrophobicContact CE1-CB 4.3Å; F85-L89 HydrophobicContact CE1-CD2 4.1Å; F85-L89 WeakPolarHBondContact O-CB 3.46Å; F85-L89 PolarHBondContact O-N 3.13Å; L86-L89 HydrophobicContact CD2-CD2 4.28Å; L86-L89 PolarHBondContact O-N 2.84Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 3.47Å; L89-V92 PolarHBondContact O-N 3.45Å; L89-V93 HydrophobicContact CD1-CG2 4.17Å; L89-V93 WeakPolarHBondContact O-CG2 3.26Å; L89-V93 PolarHBondContact O-N 3.26Å
90	S	96.6	Very high	93.2	Very high	59 Å²	59	71.2 Å²	71.2	41%	0.413	39%	0.389	S	S	.	.	H	α-helix	trans	-55.9	-50.2	175.4	-162.6	0	0	0	0	110.7	L86 D87 V92 V93 E94	L86-S90 PolarHBondContact O-N 3.06Å; D87-S90 PolarHBondContact O-N 3.23Å; S90-V92 VanDerWaalsContact C-N 3.3Å; S90-V92 PolarHBondContact O-N 3.4Å; S90-V93 PolarHBondContact O-N 3.03Å; S90-V93 VanDerWaalsContact O-N 3.17Å; S90-E94 WeakPolarHBondContact O-CB 3.23Å; S90-E94 WeakPolarHBondContact O-CG 3.4Å; S90-E94 PolarHBondContact O-N 2.91Å; S90-E94 PolarHBondContact OG-OE1 3.46Å
91	L	95.6	Very high	91.9	Very high	102 Å²	102	72.2 Å²	72.2	53%	0.534	40%	0.398	S	S	.	.	H	α-helix	trans	-58.5	-41.4	178.6	-179.9	64	0	0	0	112.5	D87 H88 L89 T95	D87-L91 PolarHBondContact O-N 3.12Å; H88-L91 PolarHBondContact O-N 3.1Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 3.47Å; L91-T95 WeakPolarHBondContact O-CB 3.46Å; L91-T95 PolarHBondContact O-N 3.41Å; L91-T95 PolarHBondContact O-OG1 3.38Å
92	V	95.1	Very high	90.7	Very high	19 Å²	19	72.8 Å²	72.8	12%	0.115	40%	0.401	C	S	.	.	H	α-helix	trans	-65	-44.3	177.9	167.9	0	0	0	0	111.2	A40 L44 H88 L89 S90 T95 M96	A40-V92 HydrophobicContact CB-CG1 4.05Å; L44-V92 HydrophobicContact CD2-CG2 3.96Å; L44-V92 HydrophobicContact CG-CG2 4.16Å; H88-V92 WeakPolarHBondContact O-CG2 3.18Å; H88-V92 PolarHBondContact O-N 3.3Å; L89-V92 PolarHBondContact O-N 3.45Å; S90-V92 VanDerWaalsContact C-N 3.3Å; S90-V92 PolarHBondContact O-N 3.4Å; V92-T95 PolarHBondContact O-N 2.96Å; V92-M96 HydrophobicContact CG1-CE 3.69Å; V92-M96 HydrophobicContact CG1-SD 4.27Å; V92-M96 WeakPolarHBondContact O-CG 3.4Å; V92-M96 PolarHBondContact O-N 2.97Å
93	V	94.9	Very high	89.8	Confident	50 Å²	50	77.4 Å²	77.4	30%	0.303	43%	0.429	S	S	.	.	H	α-helix	trans	-63.9	-48.3	177.8	172.1	0	0	0	0	110.6	F31 L89 S90 T95 M96 E97	F31-V93 HydrophobicContact CE1-CG2 4.14Å; F31-V93 HydrophobicContact CZ-CG2 4.47Å; L89-V93 HydrophobicContact CD1-CG2 4.17Å; L89-V93 WeakPolarHBondContact O-CG2 3.26Å; L89-V93 PolarHBondContact O-N 3.26Å; S90-V93 PolarHBondContact O-N 3.03Å; S90-V93 VanDerWaalsContact O-N 3.17Å; V93-T95 VanDerWaalsContact C-N 3.25Å; V93-T95 PolarHBondContact O-N 2.99Å; V93-M96 WeakPolarHBondContact O-CB 3.3Å; V93-M96 PolarHBondContact O-N 2.91Å; V93-E97 WeakPolarHBondContact O-CG 3.35Å; V93-E97 PolarHBondContact O-N 3.04Å
94	E	95.2	Very high	88.6	Confident	94 Å²	94	80.9 Å²	80.9	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-56.6	-40.9	175.6	-72.6	166.8	-145.3	0	0	111.5	S90 E97 L98	S90-E94 WeakPolarHBondContact O-CB 3.23Å; S90-E94 WeakPolarHBondContact O-CG 3.4Å; S90-E94 PolarHBondContact O-N 2.91Å; S90-E94 PolarHBondContact OG-OE1 3.46Å; E94-E97 PolarHBondContact O-N 3.33Å; E94-L98 WeakPolarHBondContact O-CB 3.3Å; E94-L98 VanDerWaalsContact O-CG 3.23Å; E94-L98 WeakPolarHBondContact O-CG 3.33Å; E94-L98 PolarHBondContact O-N 2.72Å
95	T	94.1	Very high	86.9	Confident	64 Å²	64	89.3 Å²	89.3	39%	0.393	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-43.1	176	-58.3	0	0	0	0	111.5	L91 V92 V93 E97 L98 F99	L91-T95 WeakPolarHBondContact O-CB 3.46Å; L91-T95 PolarHBondContact O-N 3.41Å; L91-T95 PolarHBondContact O-OG1 3.38Å; V92-T95 PolarHBondContact O-N 2.96Å; V93-T95 VanDerWaalsContact C-N 3.25Å; V93-T95 PolarHBondContact O-N 2.99Å; T95-E97 VanDerWaalsContact C-N 3.32Å; T95-E97 PolarHBondContact O-N 2.94Å; T95-L98 PolarHBondContact O-N 2.7Å; T95-F99 HydrophobicContact CG2-CD2 3.8Å; T95-F99 HydrophobicContact CG2-CE2 4.24Å; T95-F99 VanDerWaalsContact O-CD2 3.3Å; T95-F99 WeakPolarHBondContact O-CD2 3.35Å; T95-F99 PolarHBondContact O-N 3.47Å
96	M	92.9	Very high	86.5	Confident	42 Å²	42	93.7 Å²	93.7	21%	0.207	51%	0.511	C	S	.	.	H	α-helix	trans	-63.5	-39	177.5	-71.1	175	176.4	0	0	112.2	F31 E36 M39 A40 V92 V93 G100	F31-M96 HydrophobicContact CD1-SD 4.43Å; F31-M96 HydrophobicContact CE1-SD 4.13Å; E36-M96 HydrophobicContact CB-SD 4.34Å; E36-M96 WeakPolarHBondContact O-CE 3.3Å; M39-M96 HydrophobicContact CB-CE 3.47Å; M39-M96 VanDerWaalsContact CB-CE 3.47Å; A40-M96 HydrophobicContact CB-CE 3.93Å; V92-M96 HydrophobicContact CG1-CE 3.69Å; V92-M96 HydrophobicContact CG1-SD 4.27Å; V92-M96 WeakPolarHBondContact O-CG 3.4Å; V92-M96 PolarHBondContact O-N 2.97Å; V93-M96 WeakPolarHBondContact O-CB 3.3Å; V93-M96 PolarHBondContact O-N 2.91Å; M96-G100 VanDerWaalsContact O-CA 3.3Å; M96-G100 WeakPolarHBondContact O-CA 3.23Å; M96-G100 PolarHBondContact O-N 3.07Å
97	E	90.4	Very high	85.9	Confident	151 Å²	151	94.8 Å²	94.8	71%	0.706	52%	0.518	S	S	*	.	H	α-helix	trans	-67.8	-41.9	177.3	-70.3	-179	168.9	0	0	111.9	V93 E94 T95	V93-E97 WeakPolarHBondContact O-CG 3.35Å; V93-E97 PolarHBondContact O-N 3.04Å; E94-E97 PolarHBondContact O-N 3.33Å; T95-E97 VanDerWaalsContact C-N 3.32Å; T95-E97 PolarHBondContact O-N 2.94Å
98	L	91.8	Very high	85.4	Confident	136 Å²	136	93.8 Å²	93.8	71%	0.712	51%	0.513	S	S	*	.	H	α-helix	trans	-71.9	-31.9	-178.4	-72.6	171.3	0	0	0	113.8	E94 T95	E94-L98 WeakPolarHBondContact O-CB 3.3Å; E94-L98 VanDerWaalsContact O-CG 3.23Å; E94-L98 WeakPolarHBondContact O-CG 3.33Å; E94-L98 PolarHBondContact O-N 2.72Å; T95-L98 PolarHBondContact O-N 2.7Å
99	F	86.2	Confident	84.8	Confident	162 Å²	162	93.1 Å²	93.1	71%	0.711	52%	0.515	S	S	*	.	S	Bend	trans	-115.9	14.1	-173.6	-62.4	-76.9	0	0	0	114	T95	T95-F99 HydrophobicContact CG2-CD2 3.8Å; T95-F99 HydrophobicContact CG2-CE2 4.24Å; T95-F99 VanDerWaalsContact O-CD2 3.3Å; T95-F99 WeakPolarHBondContact O-CD2 3.35Å; T95-F99 PolarHBondContact O-N 3.47Å
100	G	73.2	Confident	84.1	Confident	46 Å²	46	98 Å²	98	47%	0.474	54%	0.542	S	S	.	.			trans	-68.9	-178.6	-172.7	0	0	0	0	0	115.1	M96	M96-G100 VanDerWaalsContact O-CA 3.3Å; M96-G100 WeakPolarHBondContact O-CA 3.23Å; M96-G100 PolarHBondContact O-N 3.07Å
101	P	68	Low	83.2	Confident	113 Å²	113	100.6 Å²	100.6	73%	0.734	55%	0.551	S	S	*	*	S	Bend	cis	-73	163.7	-33.8	33.1	-32.5	0	0	0	110.2	V103	P101-V103 PolarHBondContact O-N 3.02Å
102	P	66.9	Low	82.4	Confident	40 Å²	40	100.5 Å²	100.5	26%	0.26	55%	0.552	S	S	.	*	P	Polyproline II helix	trans	-66.3	131.5	-173.9	4.8	4.1	0	0	0	111	R35 M39 D104	R35-P102 VanDerWaalsContact NH1-C 3.32Å; R35-P102 PolarHBondContact NH1-O 3.44Å; M39-P102 HydrophobicContact CE-CB 3.4Å; M39-P102 HydrophobicContact CE-CG 3.97Å; M39-P102 HydrophobicContact SD-CB 3.66Å; M39-P102 HydrophobicContact SD-CG 3.69Å; P102-D104 PolarHBondContact O-N 2.68Å
103	V	75.4	Confident	81.4	Confident	111 Å²	111	106.8 Å²	106.8	67%	0.673	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-67.7	127.4	-178.3	-81.2	0	0	0	0	111.2	R35 P101 L105	R35-V103 PolarHBondContact NH2-O 2.86Å; P101-V103 PolarHBondContact O-N 3.02Å; V103-L105 PolarHBondContact O-N 3.29Å; V103-L105 VanDerWaalsContact O-N 3.13Å
104	D	70.4	Confident	80.3	Confident	151 Å²	151	111.5 Å²	111.5	81%	0.807	61%	0.609	S	S	*	*			trans	-65.3	111.4	174.5	-62.8	-34	0	0	0	108.8	R35 P102	R35-D104 IonicContact CZ-OD1 3.93Å; R35-D104 IonicContact NH1-OD1 3.02Å; R35-D104 PolarHBondContact NH1-OD1 3.13Å; P102-D104 PolarHBondContact O-N 2.68Å
105	L	58.6	Low	78.9	Confident	228 Å²	228	113.1 Å²	113.1	100%	1.194	62%	0.624	S	S	*	*			trans	-105.5	0	174.6	-75.9	173.9	0	0	0	109.8	V103	V103-L105 PolarHBondContact O-N 3.29Å; V103-L105 VanDerWaalsContact O-N 3.13Å

Retrieved 105 of 105 residues in 297.5 ms (Link to these results)

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