A0A087X0W4_HUMAN Loading...

Acetyl-CoA carboxylase alpha

AlphaFold DB , UniProt , Accession A0A087X0W4, Species HUMAN (Homo sapiens, Human), Gene ACACA, Length 94 aa.

						>A0A087X0W4_HUMAN|A0A087X0W4|ACACA
MSGLHLVKQGRDRKKIDSQRDFTVASPAEFVTRFGGNKVIEKVLIANNGIAAVKCMRSIRRWSYEMFRNERAIRFVVMVTPEDLKANAEYIKMA
					

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(Predicted Aligned Error values between residue pairs)

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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	49.8	Very low	48.9	Very low	242 Å²	242	134.1 Å²	134.1	100%	1.192	72%	0.716	S	S	*	*				0	62.6	0	-77.3	-84.8	-85.4	0	0	110.3
2	S	57.2	Low	48.6	Very low	114 Å²	114	132 Å²	132	80%	0.797	71%	0.705	S	S	*	*			trans	-149.6	24.8	-172.2	49.7	0	0	0	0	114.1
3	G	48.2	Very low	48.3	Very low	57 Å²	57	138.6 Å²	138.6	59%	0.588	71%	0.714	S	S	*	*	S	Bend	trans	-103.8	-16.7	-177	0	0	0	0	0	116
4	L	52	Low	48	Very low	154 Å²	154	142.2 Å²	142.2	81%	0.806	72%	0.721	S	S	*	*	S	Bend	trans	-93.2	-12.3	-170.2	-87	129.2	0	0	0	115
5	H	47	Very low	47.7	Very low	158 Å²	158	144.1 Å²	144.1	73%	0.731	72%	0.723	S	S	*	*	H	α-helix	trans	-89.9	-19.6	-174.1	-140.1	-67.2	0	0	0	114.2
6	L	48.6	Very low	47.7	Very low	136 Å²	136	143.7 Å²	143.7	71%	0.712	72%	0.722	S	S	*	*	H	α-helix	trans	-86.1	-23.1	179	-89.5	158.1	0	0	0	113.5
7	V	50	Low	47.5	Very low	88 Å²	88	142.8 Å²	142.8	53%	0.533	72%	0.719	S	S	.	*	H	α-helix	trans	-79.3	-26.8	-178.5	-176.3	0	0	0	0	112.2
8	K	45.9	Very low	47.5	Very low	151 Å²	151	139.9 Å²	139.9	66%	0.657	72%	0.715	S	S	*	*	H	α-helix	trans	-71.5	-39	176.5	-75.2	-175.1	174.3	-178.4	0	112.3	G10 R11 D12	K8-G10 VanDerWaalsContact C-N 3.29Å; K8-G10 PolarHBondContact O-N 3.49Å; K8-R11 PolarHBondContact O-N 3.14Å; K8-D12 PolarHBondContact O-N 2.98Å
9	Q	50.2	Low	47.8	Very low	133 Å²	133	141.7 Å²	141.7	62%	0.621	72%	0.72	S	S	*	*	H	α-helix	trans	-65.3	-28	176.8	-86.5	-174.2	2.4	0	0	114.1
10	G	42.4	Very low	48.1	Very low	49 Å²	49	143.4 Å²	143.4	51%	0.505	72%	0.717	S	S	.	*	H	α-helix	trans	-77	-26.8	178	0	0	0	0	0	114.5	K8	K8-G10 VanDerWaalsContact C-N 3.29Å; K8-G10 PolarHBondContact O-N 3.49Å
11	R	46.9	Very low	48.7	Very low	193 Å²	193	142.3 Å²	142.3	73%	0.728	71%	0.714	S	S	*	*	H	α-helix	trans	-85.5	-30.7	178.7	-80.4	-177.6	179.3	162.5	0.8	113.1	K8	K8-R11 PolarHBondContact O-N 3.14Å
12	D	45.1	Very low	49.5	Very low	109 Å²	109	136.6 Å²	136.6	58%	0.583	68%	0.683	S	S	*	*	H	α-helix	trans	-78.1	-28.3	178.8	-68.8	-37	0	0	0	112.8	K8 K14 K15	K8-D12 PolarHBondContact O-N 2.98Å; D12-K14 VanDerWaalsContact C-N 3.33Å; D12-K14 PolarHBondContact O-N 2.82Å; D12-K15 PolarHBondContact O-N 3.5Å
13	R	44.7	Very low	50.4	Low	218 Å²	218	133.4 Å²	133.4	82%	0.823	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-69.4	-25	174.9	-96.6	-179.8	156.3	-175.9	-6	114.5
14	K	43.8	Very low	52.2	Low	189 Å²	189	131.3 Å²	131.3	82%	0.822	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-86.6	-4.3	179	-91.5	-173.9	175.7	-177.7	0	114.2	D12	D12-K14 VanDerWaalsContact C-N 3.33Å; D12-K14 PolarHBondContact O-N 2.82Å
15	K	43.5	Very low	53.8	Low	171 Å²	171	127.9 Å²	127.9	74%	0.743	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-99.1	-2.1	177.1	-99.1	-173.8	174.7	-176.2	0	114.5	D12 D17	D12-K15 PolarHBondContact O-N 3.5Å; K15-D17 VanDerWaalsContact C-N 3.26Å; K15-D17 PolarHBondContact O-N 3.34Å
16	I	47.2	Very low	56.1	Low	137 Å²	137	122.1 Å²	122.1	70%	0.703	61%	0.606	S	S	*	*	S	Bend	trans	-97.3	35.3	172.3	-41.1	175.9	0	0	0	110.2
17	D	45.4	Very low	58.3	Low	128 Å²	128	116.3 Å²	116.3	68%	0.684	58%	0.576	S	S	*	*			trans	-115.7	26.6	159.5	-136.6	12.1	0	0	0	109.4	K15 Q19	K15-D17 VanDerWaalsContact C-N 3.26Å; K15-D17 PolarHBondContact O-N 3.34Å; D17-Q19 PolarHBondContact O-N 3.42Å
18	S	47.6	Very low	60.5	Low	91 Å²	91	113.8 Å²	113.8	64%	0.636	56%	0.564	S	S	*	*	S	Bend	trans	-61	88.3	162.5	55.9	0	0	0	0	107.6	R20	S18-R20 PolarHBondContact O-N 3.15Å
19	Q	51.8	Low	62.8	Low	174 Å²	174	111.3 Å²	111.3	81%	0.813	56%	0.555	S	S	*	*			trans	47.7	67.4	148	-160.1	170.8	8.1	0	0	111.2	D17 D21	D17-Q19 PolarHBondContact O-N 3.42Å; Q19-D21 PolarHBondContact O-N 3.49Å
20	R	54.6	Low	64.9	Low	176 Å²	176	107 Å²	107	66%	0.664	53%	0.534	S	S	*	.			trans	-49.7	122.1	164.4	-67.7	-173.4	-164.1	-175.6	4.5	105.2	S18 F22	S18-R20 PolarHBondContact O-N 3.15Å; R20-F22 VanDerWaalsContact O-CD2 3.22Å; R20-F22 WeakPolarHBondContact O-CD2 3.48Å; R20-F22 PolarHBondContact O-N 2.88Å
21	D	60.3	Low	67.5	Low	121 Å²	121	105.7 Å²	105.7	65%	0.647	52%	0.516	S	S	*	.			trans	-52.1	102	169.4	-92.9	-37.8	0	0	0	106	Q19 T23	Q19-D21 PolarHBondContact O-N 3.49Å; D21-T23 PolarHBondContact O-N 3.16Å; D21-T23 VanDerWaalsContact O-N 3.13Å
22	F	66.5	Low	69.8	Low	122 Å²	122	102 Å²	102	54%	0.535	52%	0.515	S	S	.	.			trans	-72.7	4.2	177.2	-95.4	-86.6	0	0	0	110.5	R20 F34	R20-F22 VanDerWaalsContact O-CD2 3.22Å; R20-F22 WeakPolarHBondContact O-CD2 3.48Å; R20-F22 PolarHBondContact O-N 2.88Å; F22-F34 HydrophobicContact CD1-CZ 4.36Å
23	T	77.3	Confident	72.1	Confident	46 Å²	46	102.5 Å²	102.5	28%	0.282	51%	0.509	S	S	.	.			trans	-68.1	139.1	175.4	58.2	0	0	0	0	109.9	D21 M66 R68	D21-T23 PolarHBondContact O-N 3.16Å; D21-T23 VanDerWaalsContact O-N 3.13Å; T23-M66 WeakPolarHBondContact CA-O 3.18Å; T23-R68 HydrophobicContact CG2-CG 3.98Å
24	V	85.4	Confident	74.4	Confident	13 Å²	13	97.2 Å²	97.2	8%	0.079	49%	0.492	C	S	.	.			trans	-125.5	152.1	175	-70.5	0	0	0	0	108.1	E29 F30 M66 F67	V24-E29 HydrophobicContact CB-CB 4.37Å; V24-F30 HydrophobicContact CG2-CB 3.78Å; V24-F30 HydrophobicContact CG2-CD2 3.79Å; V24-F30 HydrophobicContact CG2-CG 4.29Å; V24-M66 PolarHBondContact N-O 3.41Å; V24-F67 HydrophobicContact CG2-CD1 3.68Å; V24-F67 HydrophobicContact CG2-CE1 3.45Å; V24-F67 VanDerWaalsContact CG2-CE1 3.45Å; V24-F67 HydrophobicContact CG2-CZ 4.36Å; V24-F67 WeakPolarHBondContact O-CD1 3.24Å
25	A	86.2	Confident	76.9	Confident	83 Å²	83	91.6 Å²	91.6	69%	0.686	49%	0.488	S	S	*	.	S	Bend	trans	-79.6	-25.7	-170.5	0	0	0	0	0	112.7	E29	A25-E29 VanDerWaalsContact CB-OE2 3.3Å; A25-E29 WeakPolarHBondContact CB-OE2 3.4Å; A25-E29 PolarHBondContact N-OE2 2.91Å
26	S	93.8	Very high	79.4	Confident	37 Å²	37	85.6 Å²	85.6	26%	0.259	48%	0.475	S	S	.	.	S	Bend	trans	-149.9	158.6	-175.9	70.8	0	0	0	0	114	A28 E29 F30 F67	S26-A28 PolarHBondContact O-N 3.3Å; S26-E29 PolarHBondContact O-N 2.97Å; S26-E29 PolarHBondContact OG-N 3.4Å; S26-F30 PolarHBondContact O-N 3.4Å; S26-F67 VanDerWaalsContact C-CE1 3.44Å; S26-F67 WeakPolarHBondContact O-CE1 3.13Å
27	P	95.2	Very high	81.8	Confident	14 Å²	14	86.8 Å²	86.8	9%	0.091	48%	0.482	C	S	.	.	H	α-helix	trans	-56.2	-32.1	173.2	-26.3	35.2	0	0	0	113.8	F30 V31 V39 E41 F67 A72 I73	P27-F30 WeakPolarHBondContact O-CB 3.44Å; P27-F30 PolarHBondContact O-N 3.36Å; P27-V31 WeakPolarHBondContact O-CG2 3.3Å; P27-V31 PolarHBondContact O-N 3.3Å; P27-V39 HydrophobicContact CB-CG1 4.04Å; P27-E41 HydrophobicContact CB-CG 4.39Å; P27-F67 HydrophobicContact CG-CE1 4.49Å; P27-F67 HydrophobicContact CG-CZ 4.49Å; P27-A72 HydrophobicContact CG-CB 4.5Å; P27-A72 WeakPolarHBondContact CG-O 3.22Å; P27-I73 HydrophobicContact CB-CD1 4.17Å; P27-I73 HydrophobicContact CG-CD1 3.83Å
28	A	95.9	Very high	84.3	Confident	35 Å²	35	88.2 Å²	88.2	29%	0.289	48%	0.483	S	S	.	.	H	α-helix	trans	-66.9	-43.4	177.8	0	0	0	0	0	112.4	S26 V31 T32 V39	S26-A28 PolarHBondContact O-N 3.3Å; A28-V31 PolarHBondContact O-N 3.31Å; A28-T32 PolarHBondContact O-N 3.23Å; A28-T32 VanDerWaalsContact O-N 3.14Å; A28-T32 PolarHBondContact O-OG1 3.21Å; A28-V39 HydrophobicContact CB-CG1 4.12Å; A28-V39 HydrophobicContact CB-CG2 4.11Å
29	E	94.4	Very high	86.7	Confident	98 Å²	98	86.5 Å²	86.5	46%	0.458	47%	0.468	S	S	.	.	H	α-helix	trans	-64.7	-41.2	173.3	-73.4	177.8	-175.2	0	0	111.5	V24 A25 S26 T32 R33	V24-E29 HydrophobicContact CB-CB 4.37Å; A25-E29 VanDerWaalsContact CB-OE2 3.3Å; A25-E29 WeakPolarHBondContact CB-OE2 3.4Å; A25-E29 PolarHBondContact N-OE2 2.91Å; S26-E29 PolarHBondContact O-N 2.97Å; S26-E29 PolarHBondContact OG-N 3.4Å; E29-T32 PolarHBondContact O-N 2.97Å; E29-R33 VanDerWaalsContact O-CB 3.24Å; E29-R33 WeakPolarHBondContact O-CB 3.27Å; E29-R33 PolarHBondContact O-N 2.83Å
30	F	95.5	Very high	88.8	Confident	42 Å²	42	83 Å²	83	18%	0.184	45%	0.454	C	S	.	.	H	α-helix	trans	-55.7	-54.4	175.3	-174.8	-89.4	0	0	0	111	V24 S26 P27 T32 R33 F34 W62 M66 F67	V24-F30 HydrophobicContact CG2-CB 3.78Å; V24-F30 HydrophobicContact CG2-CD2 3.79Å; V24-F30 HydrophobicContact CG2-CG 4.29Å; S26-F30 PolarHBondContact O-N 3.4Å; P27-F30 WeakPolarHBondContact O-CB 3.44Å; P27-F30 PolarHBondContact O-N 3.36Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.48Å; F30-R33 PolarHBondContact O-N 2.9Å; F30-R33 VanDerWaalsContact O-N 3.16Å; F30-F34 HydrophobicContact CD1-CD2 4.04Å; F30-F34 AromaticContact CD2-CD2 3.58Å; F30-F34 HydrophobicContact CD2-CD2 3.58Å; F30-F34 AromaticContact CD2-CE2 3.47Å; F30-F34 HydrophobicContact CD2-CE2 3.47Å; F30-F34 VanDerWaalsContact CD2-CE2 3.47Å; F30-F34 AromaticContact CE1-CD2 3.89Å; F30-F34 HydrophobicContact CE1-CD2 3.89Å; F30-F34 HydrophobicContact CE1-CG 4.38Å; F30-F34 AromaticContact CE2-CD2 3.43Å; F30-F34 HydrophobicContact CE2-CD2 3.43Å; F30-F34 VanDerWaalsContact CE2-CD2 3.43Å; F30-F34 AromaticContact CE2-CE2 3.23Å; F30-F34 HydrophobicContact CE2-CE2 3.23Å; F30-F34 HydrophobicContact CE2-CG 4.39Å; F30-F34 HydrophobicContact CE2-CZ 4.04Å; F30-F34 AromaticContact CG-CD2 3.87Å; F30-F34 HydrophobicContact CG-CD2 3.87Å; F30-F34 HydrophobicContact CG-CE2 4.21Å; F30-F34 AromaticContact CZ-CD2 3.57Å; F30-F34 HydrophobicContact CZ-CD2 3.57Å; F30-F34 AromaticContact CZ-CE2 3.8Å; F30-F34 HydrophobicContact CZ-CE2 3.8Å; F30-F34 HydrophobicContact CZ-CG 4.14Å; F30-F34 VanDerWaalsContact O-CD2 3.27Å; F30-F34 WeakPolarHBondContact O-CD2 3.27Å; F30-F34 PolarHBondContact O-N 3.31Å; F30-W62 HydrophobicContact CE1-CH2 4.31Å; F30-W62 HydrophobicContact CE1-CZ2 4.02Å; F30-W62 AromaticContact CE2-CZ2 3.94Å; F30-W62 HydrophobicContact CE2-CZ2 3.94Å; F30-W62 HydrophobicContact CZ-CH2 4.31Å; F30-W62 AromaticContact CZ-CZ2 3.63Å; F30-W62 HydrophobicContact CZ-CZ2 3.63Å; F30-M66 HydrophobicContact CE2-CG 4.35Å; F30-M66 HydrophobicContact CE2-SD 4.35Å; F30-F67 HydrophobicContact CB-CE1 3.75Å; F30-F67 HydrophobicContact CB-CZ 3.81Å; F30-F67 HydrophobicContact CD2-CE1 4.32Å; F30-F67 AromaticContact CD2-CZ 3.99Å; F30-F67 HydrophobicContact CD2-CZ 3.99Å; F30-F67 HydrophobicContact CG-CE1 4.28Å; F30-F67 AromaticContact CG-CZ 3.93Å; F30-F67 HydrophobicContact CG-CZ 3.93Å
31	V	96.1	Very high	90.8	Very high	22 Å²	22	78.8 Å²	78.8	13%	0.133	44%	0.442	C	S	.	.	H	α-helix	trans	-58.6	-45.6	-177.2	172	0	0	0	0	110.6	P27 A28 F34 G35 G36 V39	P27-V31 WeakPolarHBondContact O-CG2 3.3Å; P27-V31 PolarHBondContact O-N 3.3Å; A28-V31 PolarHBondContact O-N 3.31Å; V31-F34 PolarHBondContact O-N 3.2Å; V31-G35 PolarHBondContact O-N 3Å; V31-G35 VanDerWaalsContact O-N 3.15Å; V31-G36 VanDerWaalsContact CG1-C 3.42Å; V31-G36 WeakPolarHBondContact CG1-O 3.31Å; V31-G36 PolarHBondContact O-N 3.21Å; V31-V39 HydrophobicContact CB-CG2 4.1Å; V31-V39 HydrophobicContact CG1-CG2 4.21Å; V31-V39 HydrophobicContact CG2-CB 4.4Å; V31-V39 HydrophobicContact CG2-CG1 4.45Å; V31-V39 HydrophobicContact CG2-CG2 4.16Å
32	T	94.8	Very high	92.6	Very high	115 Å²	115	78.8 Å²	78.8	71%	0.706	44%	0.436	S	S	*	.	H	α-helix	trans	-61	-47.3	176.8	-55.4	0	0	0	0	111.8	A28 E29 F30 F34 G35	A28-T32 PolarHBondContact O-N 3.23Å; A28-T32 VanDerWaalsContact O-N 3.14Å; A28-T32 PolarHBondContact O-OG1 3.21Å; E29-T32 PolarHBondContact O-N 2.97Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.48Å; T32-F34 VanDerWaalsContact C-N 3.33Å; T32-F34 PolarHBondContact O-N 3.42Å; T32-G35 PolarHBondContact O-N 3.43Å
33	R	93.2	Very high	94.1	Very high	121 Å²	121	75 Å²	75	46%	0.457	42%	0.423	S	S	.	.	H	α-helix	trans	-65.5	-33.9	-176.9	-177.3	172.2	179.9	164.4	-5.5	113.2	E29 F30	E29-R33 VanDerWaalsContact O-CB 3.24Å; E29-R33 WeakPolarHBondContact O-CB 3.27Å; E29-R33 PolarHBondContact O-N 2.83Å; F30-R33 PolarHBondContact O-N 2.9Å; F30-R33 VanDerWaalsContact O-N 3.16Å
34	F	94.2	Very high	95.1	Very high	106 Å²	106	78 Å²	78	47%	0.465	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	10.2	-178.4	-69.7	-80.9	0	0	0	113.6	F22 F30 V31 T32 G36	F22-F34 HydrophobicContact CD1-CZ 4.36Å; F30-F34 HydrophobicContact CD1-CD2 4.04Å; F30-F34 AromaticContact CD2-CD2 3.58Å; F30-F34 HydrophobicContact CD2-CD2 3.58Å; F30-F34 AromaticContact CD2-CE2 3.47Å; F30-F34 HydrophobicContact CD2-CE2 3.47Å; F30-F34 VanDerWaalsContact CD2-CE2 3.47Å; F30-F34 AromaticContact CE1-CD2 3.89Å; F30-F34 HydrophobicContact CE1-CD2 3.89Å; F30-F34 HydrophobicContact CE1-CG 4.38Å; F30-F34 AromaticContact CE2-CD2 3.43Å; F30-F34 HydrophobicContact CE2-CD2 3.43Å; F30-F34 VanDerWaalsContact CE2-CD2 3.43Å; F30-F34 AromaticContact CE2-CE2 3.23Å; F30-F34 HydrophobicContact CE2-CE2 3.23Å; F30-F34 HydrophobicContact CE2-CG 4.39Å; F30-F34 HydrophobicContact CE2-CZ 4.04Å; F30-F34 AromaticContact CG-CD2 3.87Å; F30-F34 HydrophobicContact CG-CD2 3.87Å; F30-F34 HydrophobicContact CG-CE2 4.21Å; F30-F34 AromaticContact CZ-CD2 3.57Å; F30-F34 HydrophobicContact CZ-CD2 3.57Å; F30-F34 AromaticContact CZ-CE2 3.8Å; F30-F34 HydrophobicContact CZ-CE2 3.8Å; F30-F34 HydrophobicContact CZ-CG 4.14Å; F30-F34 VanDerWaalsContact O-CD2 3.27Å; F30-F34 WeakPolarHBondContact O-CD2 3.27Å; F30-F34 PolarHBondContact O-N 3.31Å; V31-F34 PolarHBondContact O-N 3.2Å; T32-F34 VanDerWaalsContact C-N 3.33Å; T32-F34 PolarHBondContact O-N 3.42Å; F34-G36 PolarHBondContact O-N 3.13Å
35	G	95.8	Very high	95.7	Very high	72 Å²	72	78 Å²	78	74%	0.742	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	23.2	174.2	0	0	0	0	0	114.8	V31 T32	V31-G35 PolarHBondContact O-N 3Å; V31-G35 VanDerWaalsContact O-N 3.15Å; T32-G35 PolarHBondContact O-N 3.43Å
36	G	96.8	Very high	96.2	Very high	44 Å²	44	77.8 Å²	77.8	45%	0.454	43%	0.434	S	S	.	.			trans	-79	165.6	171.3	0	0	0	0	0	112.4	V31 F34	V31-G36 VanDerWaalsContact CG1-C 3.42Å; V31-G36 WeakPolarHBondContact CG1-O 3.31Å; V31-G36 PolarHBondContact O-N 3.21Å; F34-G36 PolarHBondContact O-N 3.13Å
37	N	97	Very high	96.3	Very high	162 Å²	162	80.1 Å²	80.1	87%	0.866	44%	0.444	S	S	*	.	S	Bend	trans	-118.9	-8.6	-174.4	62.8	1	0	0	0	114.3
38	K	97.7	Very high	96.2	Very high	158 Å²	158	82.8 Å²	82.8	69%	0.687	46%	0.457	S	S	*	.			trans	-140.8	122.1	-178.2	-172.9	68.2	177.9	-178.3	0	110.7
39	V	97.6	Very high	96.1	Very high	55 Å²	55	82.6 Å²	82.6	33%	0.333	46%	0.459	S	S	.	.			trans	-81.7	130.4	175	-170.4	0	0	0	0	109.7	P27 A28 V31 E41	P27-V39 HydrophobicContact CB-CG1 4.04Å; A28-V39 HydrophobicContact CB-CG1 4.12Å; A28-V39 HydrophobicContact CB-CG2 4.11Å; V31-V39 HydrophobicContact CB-CG2 4.1Å; V31-V39 HydrophobicContact CG1-CG2 4.21Å; V31-V39 HydrophobicContact CG2-CB 4.4Å; V31-V39 HydrophobicContact CG2-CG1 4.45Å; V31-V39 HydrophobicContact CG2-CG2 4.16Å; V39-E41 HydrophobicContact CG1-CG 3.84Å
40	I	97.6	Very high	96.2	Very high	102 Å²	102	84.6 Å²	84.6	52%	0.523	47%	0.471	S	S	.	.			trans	-118.5	110.1	173.6	-57.1	172.5	0	0	0	107.7	V43 I73	I40-V43 HydrophobicContact CG2-CG2 3.91Å; I40-I73 VanDerWaalsContact O-CD1 3.31Å; I40-I73 WeakPolarHBondContact O-CD1 3.28Å
41	E	96.4	Very high	96.3	Very high	86 Å²	86	84.7 Å²	84.7	40%	0.402	48%	0.48	S	S	.	.			trans	-107.4	-12.4	179.2	-56.8	-176.8	166.3	0	0	113	P27 V39 R74	P27-E41 HydrophobicContact CB-CG 4.39Å; V39-E41 HydrophobicContact CG1-CG 3.84Å; E41-R74 WeakPolarHBondContact O-CB 3.39Å; E41-R74 PolarHBondContact O-N 2.72Å; E41-R74 IonicContact OE2-NH2 3.21Å; E41-R74 PolarHBondContact OE2-NH2 3.48Å
42	K	97.6	Very high	96.3	Very high	122 Å²	122	83.6 Å²	83.6	53%	0.53	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	130.5	-174.8	-168.4	-177.3	-65.8	-179.8	0	109.7	R74 V76	K42-R74 CarbonylContact C-O 3.59Å; K42-R74 VanDerWaalsContact CA-O 3.27Å; K42-R74 WeakPolarHBondContact CA-O 3.39Å; K42-R74 HydrophobicContact CB-CB 4.34Å; K42-R74 HydrophobicContact CG-CB 4.12Å; K42-V76 HydrophobicContact CD-CG2 3.7Å; K42-V76 HydrophobicContact CG-CG2 3.9Å
43	V	98	Very high	96.4	Very high	43 Å²	43	78.5 Å²	78.5	26%	0.261	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.6	-177.3	178.1	0	0	0	0	109	I40 I73 R74 F75 V76	I40-V43 HydrophobicContact CG2-CG2 3.91Å; V43-I73 HydrophobicContact CG2-CG2 3.85Å; V43-R74 PolarHBondContact N-O 2.98Å; V43-F75 HydrophobicContact CB-CD1 3.95Å; V43-F75 HydrophobicContact CB-CE1 4Å; V43-F75 HydrophobicContact CG1-CD1 4.34Å; V43-F75 HydrophobicContact CG1-CE1 4.32Å; V43-F75 HydrophobicContact CG2-CE1 4.45Å; V43-F75 CarbonylContact O-C 3.45Å; V43-F75 WeakPolarHBondContact O-CA 3.48Å; V43-V76 PolarHBondContact O-N 3Å
44	L	98	Very high	96.6	Very high	108 Å²	108	79 Å²	79	57%	0.565	45%	0.448	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.4	168.2	177.1	65.3	0	0	0	109.1	V76 M78	L44-V76 CarbonylContact C-O 3.52Å; L44-V76 VanDerWaalsContact CA-O 3.29Å; L44-V76 WeakPolarHBondContact CA-O 3.29Å; L44-V76 HydrophobicContact CD1-CB 4.06Å; L44-V76 HydrophobicContact CD1-CG1 3.77Å; L44-M78 HydrophobicContact CD1-CG 4.07Å
45	I	97.6	Very high	96.7	Very high	12 Å²	12	76.3 Å²	76.3	6%	0.062	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	102.4	171.8	-53.4	-176.4	0	0	0	107.7	N47 A52 M56 F75 V76 V77 M78	I45-N47 HydrophobicContact CG2-CB 4.08Å; I45-N47 PolarHBondContact O-N 3.22Å; I45-A52 HydrophobicContact CG2-CB 3.89Å; I45-M56 HydrophobicContact CD1-CE 4.43Å; I45-M56 HydrophobicContact CD1-CG 3.43Å; I45-M56 VanDerWaalsContact CD1-CG 3.43Å; I45-M56 HydrophobicContact CD1-SD 3.95Å; I45-F75 HydrophobicContact CD1-CB 4.46Å; I45-F75 HydrophobicContact CD1-CD1 3.72Å; I45-F75 HydrophobicContact CD1-CE1 4.35Å; I45-F75 HydrophobicContact CD1-CG 4.26Å; I45-F75 HydrophobicContact CG1-CD1 4.04Å; I45-V76 PolarHBondContact N-O 2.85Å; I45-V77 HydrophobicContact CB-CG1 4.16Å; I45-V77 HydrophobicContact CD1-CG1 4.2Å; I45-V77 HydrophobicContact CG1-CG1 4.42Å; I45-M78 PolarHBondContact O-N 2.8Å
46	A	97.1	Very high	96.8	Very high	79 Å²	79	72.9 Å²	72.9	65%	0.653	41%	0.406	S	S	*	.			trans	-87.4	49.2	170.9	0	0	0	0	0	110.6	M78	A46-M78 HydrophobicContact CB-SD 3.95Å
47	N	95.4	Very high	96.9	Very high	87 Å²	87	77.1 Å²	77.1	47%	0.465	41%	0.409	S	S	.	.			trans	-154.9	163.7	178.9	-155.4	-13.5	0	0	0	109	I45 A51	I45-N47 HydrophobicContact CG2-CB 4.08Å; I45-N47 PolarHBondContact O-N 3.22Å; N47-A51 VanDerWaalsContact ND2-CB 3.35Å; N47-A51 WeakPolarHBondContact ND2-CB 3.38Å
48	N	94.1	Very high	96.9	Very high	69 Å²	69	71.7 Å²	71.7	37%	0.369	38%	0.383	S	S	.	.			trans	-125.2	-166.2	179.4	67.5	0.2	0	0	0	111.6	A52 D83 Y90	N48-A52 PolarHBondContact O-N 2.84Å; N48-D83 PolarHBondContact ND2-OD1 3.04Å; N48-D83 PolarHBondContact ND2-OD2 3.43Å; N48-D83 VanDerWaalsContact ND2-OD2 3.08Å; N48-Y90 HydrophobicContact CB-CD1 4.44Å; N48-Y90 HydrophobicContact CB-CE1 3.71Å; N48-Y90 HydrophobicContact CB-CE2 4.43Å
49	G	94.4	Very high	96.9	Very high	32 Å²	32	66.3 Å²	66.3	33%	0.33	36%	0.362	S	S	.	.	H	α-helix	trans	53.7	-142.4	171.5	0	0	0	0	0	114.7	A51 A52 V53	G49-A51 VanDerWaalsContact C-N 3.29Å; G49-A51 PolarHBondContact O-N 2.76Å; G49-A52 PolarHBondContact O-N 3.25Å; G49-V53 WeakPolarHBondContact O-CG2 3.3Å; G49-V53 PolarHBondContact O-N 2.9Å
50	I	95.4	Very high	96.9	Very high	139 Å²	139	65.1 Å²	65.1	71%	0.713	35%	0.351	S	S	*	.	H	α-helix	trans	-66.1	-30.3	-174	-167.3	60.6	0	0	0	113.2	V53 K54	I50-V53 PolarHBondContact O-N 3.21Å; I50-K54 VanDerWaalsContact O-CB 3.28Å; I50-K54 WeakPolarHBondContact O-CB 3.3Å; I50-K54 PolarHBondContact O-N 3.22Å
51	A	96.7	Very high	96.9	Very high	44 Å²	44	68.8 Å²	68.8	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-46.2	179.7	0	0	0	0	0	110.7	N47 G49 C55	N47-A51 VanDerWaalsContact ND2-CB 3.35Å; N47-A51 WeakPolarHBondContact ND2-CB 3.38Å; G49-A51 VanDerWaalsContact C-N 3.29Å; G49-A51 PolarHBondContact O-N 2.76Å; A51-C55 VanDerWaalsContact O-CB 3.24Å; A51-C55 WeakPolarHBondContact O-CB 3.34Å; A51-C55 PolarHBondContact O-N 3.21Å
52	A	96.6	Very high	96.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-47.9	175.5	0	0	0	0	0	111.5	I45 N48 G49 K54 C55 M56 Y90	I45-A52 HydrophobicContact CG2-CB 3.89Å; N48-A52 PolarHBondContact O-N 2.84Å; G49-A52 PolarHBondContact O-N 3.25Å; A52-K54 PolarHBondContact O-N 3.47Å; A52-C55 PolarHBondContact O-N 3.19Å; A52-M56 HydrophobicContact CB-CE 4.37Å; A52-M56 WeakPolarHBondContact O-CE 3.48Å; A52-M56 WeakPolarHBondContact O-CG 3.22Å; A52-M56 PolarHBondContact O-N 2.83Å; A52-Y90 HydrophobicContact CB-CD2 4.02Å; A52-Y90 HydrophobicContact CB-CG 3.92Å
53	V	96.6	Very high	96.8	Very high	8 Å²	8	63.5 Å²	63.5	5%	0.048	33%	0.331	C	S	.	.	H	α-helix	trans	-59.7	-49	178.7	172.8	0	0	0	0	111.5	G49 I50 C55 M56 R57 E89 M93	G49-V53 WeakPolarHBondContact O-CG2 3.3Å; G49-V53 PolarHBondContact O-N 2.9Å; I50-V53 PolarHBondContact O-N 3.21Å; V53-C55 PolarHBondContact O-N 3.42Å; V53-M56 PolarHBondContact O-N 3.4Å; V53-R57 HydrophobicContact CG1-CG 4.35Å; V53-R57 WeakPolarHBondContact O-CB 3.41Å; V53-R57 WeakPolarHBondContact O-CG 3.18Å; V53-R57 PolarHBondContact O-N 3.47Å; V53-E89 HydrophobicContact CG2-CB 4.2Å; V53-E89 HydrophobicContact CG2-CG 4.5Å; V53-M93 HydrophobicContact CB-SD 4.35Å; V53-M93 HydrophobicContact CG1-SD 3.85Å; V53-M93 HydrophobicContact CG2-SD 4.19Å
54	K	97.5	Very high	96.7	Very high	130 Å²	130	67.6 Å²	67.6	57%	0.565	34%	0.343	S	S	*	.	H	α-helix	trans	-65.4	-40.6	-177.8	-176.2	60.6	173.7	65.9	0	111.6	I50 A52 S58	I50-K54 VanDerWaalsContact O-CB 3.28Å; I50-K54 WeakPolarHBondContact O-CB 3.3Å; I50-K54 PolarHBondContact O-N 3.22Å; A52-K54 PolarHBondContact O-N 3.47Å; K54-S58 PolarHBondContact NZ-OG 3.04Å; K54-S58 VanDerWaalsContact O-CB 3.31Å; K54-S58 WeakPolarHBondContact O-CB 3.41Å; K54-S58 PolarHBondContact O-N 3.06Å; K54-S58 PolarHBondContact O-OG 2.84Å
55	C	97.6	Very high	96.5	Very high	50 Å²	50	66.4 Å²	66.4	34%	0.338	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-55.2	175.9	-177	0	0	0	0	110.5	A51 A52 V53 R57 S58 I59	A51-C55 VanDerWaalsContact O-CB 3.24Å; A51-C55 WeakPolarHBondContact O-CB 3.34Å; A51-C55 PolarHBondContact O-N 3.21Å; A52-C55 PolarHBondContact O-N 3.19Å; V53-C55 PolarHBondContact O-N 3.42Å; C55-R57 PolarHBondContact O-N 3.23Å; C55-S58 PolarHBondContact O-N 2.7Å; C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 2.75Å
56	M	97.6	Very high	96.3	Very high	0 Å²	0	68 Å²	68	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-49.2	-179.3	-70.7	-173.3	-74.5	0	0	112.1	I45 A52 V53 S58 I59 R60 F75 V77 Y90 M93	I45-M56 HydrophobicContact CD1-CE 4.43Å; I45-M56 HydrophobicContact CD1-CG 3.43Å; I45-M56 VanDerWaalsContact CD1-CG 3.43Å; I45-M56 HydrophobicContact CD1-SD 3.95Å; A52-M56 HydrophobicContact CB-CE 4.37Å; A52-M56 WeakPolarHBondContact O-CE 3.48Å; A52-M56 WeakPolarHBondContact O-CG 3.22Å; A52-M56 PolarHBondContact O-N 2.83Å; V53-M56 PolarHBondContact O-N 3.4Å; M56-S58 VanDerWaalsContact C-N 3.29Å; M56-S58 PolarHBondContact O-N 3.22Å; M56-I59 PolarHBondContact O-N 2.76Å; M56-R60 VanDerWaalsContact O-CB 3.22Å; M56-R60 WeakPolarHBondContact O-CB 3.37Å; M56-R60 VanDerWaalsContact O-CG 3.23Å; M56-R60 WeakPolarHBondContact O-CG 3.5Å; M56-R60 PolarHBondContact O-N 3.05Å; M56-F75 HydrophobicContact CB-CD2 4.35Å; M56-F75 HydrophobicContact CB-CE2 4.29Å; M56-F75 HydrophobicContact CG-CB 4.37Å; M56-F75 HydrophobicContact CG-CD1 4.04Å; M56-F75 HydrophobicContact CG-CD2 3.78Å; M56-F75 HydrophobicContact CG-CE1 4.32Å; M56-F75 HydrophobicContact CG-CE2 4.08Å; M56-F75 HydrophobicContact CG-CG 3.76Å; M56-F75 HydrophobicContact CG-CZ 4.35Å; M56-F75 HydrophobicContact SD-CB 4.09Å; M56-F75 HydrophobicContact SD-CD2 4.24Å; M56-F75 HydrophobicContact SD-CG 4.11Å; M56-V77 HydrophobicContact SD-CG1 4.33Å; M56-Y90 WeakPolarHBondContact CE-O 3.48Å; M56-M93 HydrophobicContact CB-CE 4.26Å; M56-M93 HydrophobicContact CE-CB 3.61Å; M56-M93 HydrophobicContact CE-SD 4.46Å; M56-M93 HydrophobicContact SD-CB 3.97Å
57	R	97.5	Very high	96.1	Very high	134 Å²	134	65 Å²	65	51%	0.506	32%	0.315	S	S	.	.	H	α-helix	trans	-59.2	-40.6	179.5	-72.4	-177.2	-179.2	-176	0.4	112.4	V53 C55 R61 E89 M93	V53-R57 HydrophobicContact CG1-CG 4.35Å; V53-R57 WeakPolarHBondContact O-CB 3.41Å; V53-R57 WeakPolarHBondContact O-CG 3.18Å; V53-R57 PolarHBondContact O-N 3.47Å; C55-R57 PolarHBondContact O-N 3.23Å; R57-R61 VanDerWaalsContact O-CB 3.29Å; R57-R61 WeakPolarHBondContact O-CB 3.29Å; R57-R61 PolarHBondContact O-N 3.06Å; R57-E89 IonicContact CZ-OE1 3.63Å; R57-E89 IonicContact NE-OE1 3.98Å; R57-E89 IonicContact NH2-OE1 2.62Å; R57-E89 PolarHBondContact NH2-OE1 3.28Å; R57-E89 IonicContact NH2-OE2 3.74Å; R57-M93 HydrophobicContact CG-CE 3.38Å; R57-M93 HydrophobicContact CG-SD 4.37Å
58	S	98.2	Very high	96.1	Very high	47 Å²	47	68 Å²	68	33%	0.329	32%	0.319	S	S	.	.	H	α-helix	trans	-69.4	-47.1	-177.5	-51.9	0	0	0	0	111.3	K54 C55 M56 R61 W62	K54-S58 PolarHBondContact NZ-OG 3.04Å; K54-S58 VanDerWaalsContact O-CB 3.31Å; K54-S58 WeakPolarHBondContact O-CB 3.41Å; K54-S58 PolarHBondContact O-N 3.06Å; K54-S58 PolarHBondContact O-OG 2.84Å; C55-S58 PolarHBondContact O-N 2.7Å; M56-S58 VanDerWaalsContact C-N 3.29Å; M56-S58 PolarHBondContact O-N 3.22Å; S58-R61 PolarHBondContact O-N 3.15Å; S58-W62 PolarHBondContact O-N 3.41Å
59	I	97.8	Very high	96.1	Very high	46 Å²	46	68.5 Å²	68.5	24%	0.236	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-38.1	178.9	-64.6	169.5	0	0	0	110.9	C55 M56 W62 S63 I73 F75	C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 2.75Å; M56-I59 PolarHBondContact O-N 2.76Å; I59-W62 HydrophobicContact CG2-CE3 4.42Å; I59-W62 PolarHBondContact O-N 2.9Å; I59-S63 VanDerWaalsContact O-CB 3.26Å; I59-S63 WeakPolarHBondContact O-CB 3.35Å; I59-S63 PolarHBondContact O-N 3.26Å; I59-S63 PolarHBondContact O-OG 3.02Å; I59-I73 HydrophobicContact CG2-CB 4.05Å; I59-I73 HydrophobicContact CG2-CG1 4.12Å; I59-I73 HydrophobicContact CG2-CG2 4.23Å; I59-F75 HydrophobicContact CB-CZ 3.73Å; I59-F75 HydrophobicContact CD1-CE1 3.89Å; I59-F75 HydrophobicContact CD1-CZ 3.87Å; I59-F75 HydrophobicContact CG1-CZ 4.4Å; I59-F75 HydrophobicContact CG2-CE2 4.44Å; I59-F75 HydrophobicContact CG2-CZ 3.66Å
60	R	97.4	Very high	96.1	Very high	30 Å²	30	71.1 Å²	71.1	11%	0.113	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-43.4	175.8	-76.8	-160.9	170.2	153	5.7	112.6	M56 S63 Y64 E70 F75 M93 A94	M56-R60 VanDerWaalsContact O-CB 3.22Å; M56-R60 WeakPolarHBondContact O-CB 3.37Å; M56-R60 VanDerWaalsContact O-CG 3.23Å; M56-R60 WeakPolarHBondContact O-CG 3.5Å; M56-R60 PolarHBondContact O-N 3.05Å; R60-S63 PolarHBondContact O-N 3.17Å; R60-Y64 WeakPolarHBondContact O-CB 3.41Å; R60-Y64 PolarHBondContact O-N 3.22Å; R60-E70 HydrophobicContact CB-CB 4.11Å; R60-E70 HydrophobicContact CG-CB 4.42Å; R60-E70 WeakPolarHBondContact CG-O 3.41Å; R60-F75 HydrophobicContact CG-CE2 4.07Å; R60-M93 PolarHBondContact NH1-O 3Å; R60-M93 PolarHBondContact NH2-O 3.07Å; R60-A94 PolarHBondContact NH2-OXT 3.04Å
61	R	97.4	Very high	96.1	Very high	179 Å²	179	72.4 Å²	72.4	68%	0.675	32%	0.322	S	S	*	.	H	α-helix	trans	-59.2	-50.4	174.6	178.1	176.8	175.4	164.4	2.1	110.9	R57 S58 S63 Y64 E65	R57-R61 VanDerWaalsContact O-CB 3.29Å; R57-R61 WeakPolarHBondContact O-CB 3.29Å; R57-R61 PolarHBondContact O-N 3.06Å; S58-R61 PolarHBondContact O-N 3.15Å; R61-S63 VanDerWaalsContact C-N 3.3Å; R61-S63 PolarHBondContact O-N 3.17Å; R61-Y64 PolarHBondContact O-N 3.45Å; R61-E65 WeakPolarHBondContact CG-OE1 3.47Å; R61-E65 IonicContact CZ-OE1 3.93Å; R61-E65 IonicContact NE-OE1 3.06Å; R61-E65 PolarHBondContact NE-OE1 3.39Å; R61-E65 IonicContact NH2-OE1 3.89Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 2.97Å
62	W	96.7	Very high	96	Very high	96 Å²	96	71.1 Å²	71.1	36%	0.364	31%	0.311	S	S	.	.	H	α-helix	trans	-59.4	-42	175.4	170.4	77.8	0	0	0	111.8	F30 S58 I59 Y64 E65 M66 F67 I73	F30-W62 HydrophobicContact CE1-CH2 4.31Å; F30-W62 HydrophobicContact CE1-CZ2 4.02Å; F30-W62 AromaticContact CE2-CZ2 3.94Å; F30-W62 HydrophobicContact CE2-CZ2 3.94Å; F30-W62 HydrophobicContact CZ-CH2 4.31Å; F30-W62 AromaticContact CZ-CZ2 3.63Å; F30-W62 HydrophobicContact CZ-CZ2 3.63Å; S58-W62 PolarHBondContact O-N 3.41Å; I59-W62 HydrophobicContact CG2-CE3 4.42Å; I59-W62 PolarHBondContact O-N 2.9Å; W62-Y64 VanDerWaalsContact C-N 3.31Å; W62-Y64 PolarHBondContact O-N 3.26Å; W62-E65 PolarHBondContact O-N 3.15Å; W62-E65 VanDerWaalsContact O-N 3.15Å; W62-M66 HydrophobicContact CD2-CG 4.18Å; W62-M66 HydrophobicContact CG-CG 4.34Å; W62-M66 HydrophobicContact CZ2-CG 3.98Å; W62-M66 WeakPolarHBondContact O-CG 3.35Å; W62-M66 PolarHBondContact O-N 3.03Å; W62-F67 AromaticContact CH2-CE2 3.85Å; W62-F67 HydrophobicContact CH2-CE2 3.85Å; W62-F67 HydrophobicContact CH2-CZ 4.18Å; W62-F67 AromaticContact CZ3-CE2 3.84Å; W62-F67 HydrophobicContact CZ3-CE2 3.84Å; W62-I73 HydrophobicContact CZ3-CG1 4.25Å
63	S	96	Very high	96.1	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.1	-37.2	178.5	-59.9	0	0	0	0	111.7	I59 R60 R61 M66 F67 N69	I59-S63 VanDerWaalsContact O-CB 3.26Å; I59-S63 WeakPolarHBondContact O-CB 3.35Å; I59-S63 PolarHBondContact O-N 3.26Å; I59-S63 PolarHBondContact O-OG 3.02Å; R60-S63 PolarHBondContact O-N 3.17Å; R61-S63 VanDerWaalsContact C-N 3.3Å; R61-S63 PolarHBondContact O-N 3.17Å; S63-M66 PolarHBondContact O-N 2.64Å; S63-F67 WeakPolarHBondContact O-CA 3.24Å; S63-F67 VanDerWaalsContact O-CB 3.3Å; S63-F67 WeakPolarHBondContact O-CB 3.31Å; S63-F67 VanDerWaalsContact O-CD2 3.3Å; S63-F67 WeakPolarHBondContact O-CD2 3.43Å; S63-F67 PolarHBondContact O-N 2.72Å; S63-N69 CarbonylContact C-O 3.48Å; S63-N69 WeakPolarHBondContact CB-O 3.43Å
64	Y	95.2	Very high	96.1	Very high	130 Å²	130	77.4 Å²	77.4	51%	0.51	33%	0.334	S	S	.	.	H	α-helix	trans	-68.5	-38.7	173.9	-174.8	-101.6	0	0	0	112.2	R60 R61 W62 M66 R68	R60-Y64 WeakPolarHBondContact O-CB 3.41Å; R60-Y64 PolarHBondContact O-N 3.22Å; R61-Y64 PolarHBondContact O-N 3.45Å; W62-Y64 VanDerWaalsContact C-N 3.31Å; W62-Y64 PolarHBondContact O-N 3.26Å; Y64-M66 VanDerWaalsContact C-N 3.35Å; Y64-R68 WeakPolarHBondContact O-CA 3.39Å; Y64-R68 PolarHBondContact O-N 3.41Å
65	E	93.8	Very high	96.1	Very high	82 Å²	82	71.8 Å²	71.8	38%	0.383	31%	0.31	S	S	.	.	H	α-helix	trans	-64.3	-38.9	175.5	-70.6	169.4	-170.8	0	0	111.6	R61 W62	R61-E65 WeakPolarHBondContact CG-OE1 3.47Å; R61-E65 IonicContact CZ-OE1 3.93Å; R61-E65 IonicContact NE-OE1 3.06Å; R61-E65 PolarHBondContact NE-OE1 3.39Å; R61-E65 IonicContact NH2-OE1 3.89Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 2.97Å; W62-E65 PolarHBondContact O-N 3.15Å; W62-E65 VanDerWaalsContact O-N 3.15Å
66	M	93.1	Very high	96.1	Very high	46 Å²	46	72.6 Å²	72.6	23%	0.227	31%	0.313	C	S	.	.	H	α-helix	trans	-91	-37.3	-175.8	-62.5	-60.2	95.2	0	0	115	T23 V24 F30 W62 S63 Y64	T23-M66 WeakPolarHBondContact CA-O 3.18Å; V24-M66 PolarHBondContact N-O 3.41Å; F30-M66 HydrophobicContact CE2-CG 4.35Å; F30-M66 HydrophobicContact CE2-SD 4.35Å; W62-M66 HydrophobicContact CD2-CG 4.18Å; W62-M66 HydrophobicContact CG-CG 4.34Å; W62-M66 HydrophobicContact CZ2-CG 3.98Å; W62-M66 WeakPolarHBondContact O-CG 3.35Å; W62-M66 PolarHBondContact O-N 3.03Å; S63-M66 PolarHBondContact O-N 2.64Å; Y64-M66 VanDerWaalsContact C-N 3.35Å
67	F	93.8	Very high	96.1	Very high	17 Å²	17	73.9 Å²	73.9	8%	0.075	32%	0.321	C	S	.	.	H	α-helix	trans	-113.8	-4.7	-173.1	-52.9	-81.7	0	0	0	112.9	V24 S26 P27 F30 W62 S63 N69 A72	V24-F67 HydrophobicContact CG2-CD1 3.68Å; V24-F67 HydrophobicContact CG2-CE1 3.45Å; V24-F67 VanDerWaalsContact CG2-CE1 3.45Å; V24-F67 HydrophobicContact CG2-CZ 4.36Å; V24-F67 WeakPolarHBondContact O-CD1 3.24Å; S26-F67 VanDerWaalsContact C-CE1 3.44Å; S26-F67 WeakPolarHBondContact O-CE1 3.13Å; P27-F67 HydrophobicContact CG-CE1 4.49Å; P27-F67 HydrophobicContact CG-CZ 4.49Å; F30-F67 HydrophobicContact CB-CE1 3.75Å; F30-F67 HydrophobicContact CB-CZ 3.81Å; F30-F67 HydrophobicContact CD2-CE1 4.32Å; F30-F67 AromaticContact CD2-CZ 3.99Å; F30-F67 HydrophobicContact CD2-CZ 3.99Å; F30-F67 HydrophobicContact CG-CE1 4.28Å; F30-F67 AromaticContact CG-CZ 3.93Å; F30-F67 HydrophobicContact CG-CZ 3.93Å; W62-F67 AromaticContact CH2-CE2 3.85Å; W62-F67 HydrophobicContact CH2-CE2 3.85Å; W62-F67 HydrophobicContact CH2-CZ 4.18Å; W62-F67 AromaticContact CZ3-CE2 3.84Å; W62-F67 HydrophobicContact CZ3-CE2 3.84Å; S63-F67 WeakPolarHBondContact O-CA 3.24Å; S63-F67 VanDerWaalsContact O-CB 3.3Å; S63-F67 WeakPolarHBondContact O-CB 3.31Å; S63-F67 VanDerWaalsContact O-CD2 3.3Å; S63-F67 WeakPolarHBondContact O-CD2 3.43Å; S63-F67 PolarHBondContact O-N 2.72Å; F67-N69 HydrophobicContact CB-CB 4.19Å; F67-N69 PolarHBondContact O-N 3.49Å; F67-A72 HydrophobicContact CB-CB 3.83Å; F67-A72 HydrophobicContact CD1-CB 4.35Å; F67-A72 HydrophobicContact CD2-CB 3.53Å; F67-A72 HydrophobicContact CE2-CB 4.21Å; F67-A72 HydrophobicContact CG-CB 3.66Å
68	R	93.8	Very high	96	Very high	148 Å²	148	72.9 Å²	72.9	56%	0.558	32%	0.324	S	S	*	.	S	Bend	trans	52.4	23.8	-165.1	-58.1	-61.1	-177.3	-153.2	0.2	112.9	T23 Y64	T23-R68 HydrophobicContact CG2-CG 3.98Å; Y64-R68 WeakPolarHBondContact O-CA 3.39Å; Y64-R68 PolarHBondContact O-N 3.41Å
69	N	94.6	Very high	95.9	Very high	80 Å²	80	73.7 Å²	73.7	43%	0.428	33%	0.326	S	S	.	.			trans	-143.1	106	-177.3	-179.8	0.3	0	0	0	108.9	S63 F67 R71 A72	S63-N69 CarbonylContact C-O 3.48Å; S63-N69 WeakPolarHBondContact CB-O 3.43Å; F67-N69 HydrophobicContact CB-CB 4.19Å; F67-N69 PolarHBondContact O-N 3.49Å; N69-R71 PolarHBondContact O-N 2.94Å; N69-R71 WeakPolarHBondContact OD1-CA 3.43Å; N69-R71 PolarHBondContact OD1-N 3.46Å; N69-A72 HydrophobicContact CB-CB 4.35Å; N69-A72 WeakPolarHBondContact O-CB 3.23Å; N69-A72 PolarHBondContact O-N 3.31Å; N69-A72 PolarHBondContact OD1-N 3.41Å
70	E	95	Very high	95.8	Very high	87 Å²	87	74.2 Å²	74.2	41%	0.407	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.4	177.8	60.8	164.3	-153.8	0	0	113	R60	R60-E70 HydrophobicContact CB-CB 4.11Å; R60-E70 HydrophobicContact CG-CB 4.42Å; R60-E70 WeakPolarHBondContact CG-O 3.41Å
71	R	95.1	Very high	95.8	Very high	167 Å²	167	77.5 Å²	77.5	63%	0.63	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	11.3	179.6	-59.2	-170	178.1	-171	-5.2	113.3	N69 I73	N69-R71 PolarHBondContact O-N 2.94Å; N69-R71 WeakPolarHBondContact OD1-CA 3.43Å; N69-R71 PolarHBondContact OD1-N 3.46Å; R71-I73 PolarHBondContact O-N 2.98Å
72	A	95.9	Very high	95.7	Very high	16 Å²	16	75.2 Å²	75.2	13%	0.132	35%	0.354	C	S	.	.	S	Bend	trans	-57.1	-33.8	175.5	0	0	0	0	0	111.9	P27 F67 N69	P27-A72 HydrophobicContact CG-CB 4.5Å; P27-A72 WeakPolarHBondContact CG-O 3.22Å; F67-A72 HydrophobicContact CB-CB 3.83Å; F67-A72 HydrophobicContact CD1-CB 4.35Å; F67-A72 HydrophobicContact CD2-CB 3.53Å; F67-A72 HydrophobicContact CE2-CB 4.21Å; F67-A72 HydrophobicContact CG-CB 3.66Å; N69-A72 HydrophobicContact CB-CB 4.35Å; N69-A72 WeakPolarHBondContact O-CB 3.23Å; N69-A72 PolarHBondContact O-N 3.31Å; N69-A72 PolarHBondContact OD1-N 3.41Å
73	I	97.1	Very high	95.6	Very high	14 Å²	14	71.6 Å²	71.6	7%	0.072	34%	0.342	C	S	.	.	S	Bend	trans	-106	121.5	169	-50.4	-60.2	0	0	0	108.8	P27 I40 V43 I59 W62 R71 F75	P27-I73 HydrophobicContact CB-CD1 4.17Å; P27-I73 HydrophobicContact CG-CD1 3.83Å; I40-I73 VanDerWaalsContact O-CD1 3.31Å; I40-I73 WeakPolarHBondContact O-CD1 3.28Å; V43-I73 HydrophobicContact CG2-CG2 3.85Å; I59-I73 HydrophobicContact CG2-CB 4.05Å; I59-I73 HydrophobicContact CG2-CG1 4.12Å; I59-I73 HydrophobicContact CG2-CG2 4.23Å; W62-I73 HydrophobicContact CZ3-CG1 4.25Å; R71-I73 PolarHBondContact O-N 2.98Å; I73-F75 HydrophobicContact CG2-CZ 4.33Å
74	R	96.9	Very high	95.5	Very high	126 Å²	126	77.2 Å²	77.2	48%	0.475	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	143.6	-179.8	-65.7	175.9	-74.5	-169.9	-7.8	110.8	E41 K42 V43	E41-R74 WeakPolarHBondContact O-CB 3.39Å; E41-R74 PolarHBondContact O-N 2.72Å; E41-R74 IonicContact OE2-NH2 3.21Å; E41-R74 PolarHBondContact OE2-NH2 3.48Å; K42-R74 CarbonylContact C-O 3.59Å; K42-R74 VanDerWaalsContact CA-O 3.27Å; K42-R74 WeakPolarHBondContact CA-O 3.39Å; K42-R74 HydrophobicContact CB-CB 4.34Å; K42-R74 HydrophobicContact CG-CB 4.12Å; V43-R74 PolarHBondContact N-O 2.98Å
75	F	97.8	Very high	95.5	Very high	12 Å²	12	80.1 Å²	80.1	5%	0.053	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	139.5	173.7	-64.3	-72.2	0	0	0	110.5	V43 I45 M56 I59 R60 I73	V43-F75 HydrophobicContact CB-CD1 3.95Å; V43-F75 HydrophobicContact CB-CE1 4Å; V43-F75 HydrophobicContact CG1-CD1 4.34Å; V43-F75 HydrophobicContact CG1-CE1 4.32Å; V43-F75 HydrophobicContact CG2-CE1 4.45Å; V43-F75 CarbonylContact O-C 3.45Å; V43-F75 WeakPolarHBondContact O-CA 3.48Å; I45-F75 HydrophobicContact CD1-CB 4.46Å; I45-F75 HydrophobicContact CD1-CD1 3.72Å; I45-F75 HydrophobicContact CD1-CE1 4.35Å; I45-F75 HydrophobicContact CD1-CG 4.26Å; I45-F75 HydrophobicContact CG1-CD1 4.04Å; M56-F75 HydrophobicContact CB-CD2 4.35Å; M56-F75 HydrophobicContact CB-CE2 4.29Å; M56-F75 HydrophobicContact CG-CB 4.37Å; M56-F75 HydrophobicContact CG-CD1 4.04Å; M56-F75 HydrophobicContact CG-CD2 3.78Å; M56-F75 HydrophobicContact CG-CE1 4.32Å; M56-F75 HydrophobicContact CG-CE2 4.08Å; M56-F75 HydrophobicContact CG-CG 3.76Å; M56-F75 HydrophobicContact CG-CZ 4.35Å; M56-F75 HydrophobicContact SD-CB 4.09Å; M56-F75 HydrophobicContact SD-CD2 4.24Å; M56-F75 HydrophobicContact SD-CG 4.11Å; I59-F75 HydrophobicContact CB-CZ 3.73Å; I59-F75 HydrophobicContact CD1-CE1 3.89Å; I59-F75 HydrophobicContact CD1-CZ 3.87Å; I59-F75 HydrophobicContact CG1-CZ 4.4Å; I59-F75 HydrophobicContact CG2-CE2 4.44Å; I59-F75 HydrophobicContact CG2-CZ 3.66Å; R60-F75 HydrophobicContact CG-CE2 4.07Å; I73-F75 HydrophobicContact CG2-CZ 4.33Å
76	V	97.4	Very high	95.4	Very high	67 Å²	67	79.9 Å²	79.9	41%	0.406	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	132.4	163.5	179.4	0	0	0	0	105.4	K42 V43 L44 I45	K42-V76 HydrophobicContact CD-CG2 3.7Å; K42-V76 HydrophobicContact CG-CG2 3.9Å; V43-V76 PolarHBondContact O-N 3Å; L44-V76 CarbonylContact C-O 3.52Å; L44-V76 VanDerWaalsContact CA-O 3.29Å; L44-V76 WeakPolarHBondContact CA-O 3.29Å; L44-V76 HydrophobicContact CD1-CB 4.06Å; L44-V76 HydrophobicContact CD1-CG1 3.77Å; I45-V76 PolarHBondContact N-O 2.85Å
77	V	96.8	Very high	95.2	Very high	27 Å²	27	82.5 Å²	82.5	16%	0.164	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.2	-177.6	-62.2	0	0	0	0	110	I45 M56 V79 Y90 A94	I45-V77 HydrophobicContact CB-CG1 4.16Å; I45-V77 HydrophobicContact CD1-CG1 4.2Å; I45-V77 HydrophobicContact CG1-CG1 4.42Å; M56-V77 HydrophobicContact SD-CG1 4.33Å; V77-V79 HydrophobicContact CG2-CG2 3.84Å; V77-Y90 HydrophobicContact CB-CD2 4.09Å; V77-Y90 HydrophobicContact CB-CE2 4.06Å; V77-Y90 HydrophobicContact CG1-CD2 4.17Å; V77-Y90 HydrophobicContact CG2-CD2 4.29Å; V77-Y90 HydrophobicContact CG2-CE2 4.22Å; V77-A94 HydrophobicContact CB-CB 4.24Å; V77-A94 HydrophobicContact CG1-CB 3.65Å; V77-A94 HydrophobicContact CG2-CB 3.54Å
78	M	96.4	Very high	94.9	Very high	114 Å²	114	82.5 Å²	82.5	56%	0.562	42%	0.416	S	S	*	.			trans	-85.5	137	165.9	-63.4	179.1	67.4	0	0	109	L44 I45 A46 Y90	L44-M78 HydrophobicContact CD1-CG 4.07Å; I45-M78 PolarHBondContact O-N 2.8Å; A46-M78 HydrophobicContact CB-SD 3.95Å; M78-Y90 WeakPolarHBondContact O-CE2 3.41Å; M78-Y90 PolarHBondContact O-OH 3.47Å
79	V	95.8	Very high	94.6	Very high	63 Å²	63	80 Å²	80	38%	0.382	41%	0.411	S	S	.	.			trans	-129.1	123.1	-176.2	-175.7	0	0	0	0	109.1	V77 D83 L84 Y90 I91	V77-V79 HydrophobicContact CG2-CG2 3.84Å; V79-D83 HydrophobicContact CG1-CB 4.13Å; V79-L84 HydrophobicContact CG1-CB 4.18Å; V79-Y90 HydrophobicContact CG2-CE2 4.2Å; V79-I91 HydrophobicContact CG1-CD1 3.5Å; V79-I91 HydrophobicContact CG1-CG1 3.94Å; V79-I91 HydrophobicContact CG2-CD1 4.43Å; V79-I91 HydrophobicContact CG2-CG1 3.94Å; V79-I91 HydrophobicContact CG2-CG2 4.44Å
80	T	96.1	Very high	94.2	Very high	57 Å²	57	76.2 Å²	76.2	35%	0.35	39%	0.391	S	S	.	.			trans	-82.8	157.3	171.3	67.3	0	0	0	0	110.3	E82 D83 L84	T80-E82 WeakPolarHBondContact CB-OE2 3.42Å; T80-E82 PolarHBondContact O-N 2.63Å; T80-E82 PolarHBondContact OG1-OE2 2.64Å; T80-D83 PolarHBondContact O-N 3.04Å; T80-D83 WeakPolarHBondContact OG1-CB 3.49Å; T80-D83 PolarHBondContact OG1-N 3.11Å; T80-D83 VanDerWaalsContact OG1-N 3.14Å; T80-D83 PolarHBondContact OG1-OD2 3.21Å; T80-L84 PolarHBondContact O-N 2.77Å; T80-L84 VanDerWaalsContact O-N 3.11Å
81	P	96.9	Very high	93.8	Very high	99 Å²	99	74.2 Å²	74.2	64%	0.643	38%	0.382	S	S	*	.	H	α-helix	trans	-54.9	-35.3	173.1	-26	35.6	0	0	0	113.2	L84 K85	P81-L84 PolarHBondContact O-N 3.25Å; P81-K85 WeakPolarHBondContact O-CB 3.23Å; P81-K85 PolarHBondContact O-N 3.46Å
82	E	95.9	Very high	93.4	Very high	132 Å²	132	73 Å²	73	62%	0.617	38%	0.382	S	S	*	.	H	α-helix	trans	-65.9	-45.3	178.2	-64.1	70.3	-153.4	0	0	111.5	T80 L84 K85 A86	T80-E82 WeakPolarHBondContact CB-OE2 3.42Å; T80-E82 PolarHBondContact O-N 2.63Å; T80-E82 PolarHBondContact OG1-OE2 2.64Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.08Å; E82-K85 PolarHBondContact O-N 3.18Å; E82-A86 VanDerWaalsContact O-CB 3.31Å; E82-A86 WeakPolarHBondContact O-CB 3.4Å; E82-A86 PolarHBondContact O-N 3.34Å
83	D	94.5	Very high	92.8	Very high	20 Å²	20	73.5 Å²	73.5	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-61.3	-40	176.2	-73.1	-56.9	0	0	0	111.3	N48 V79 T80 A86 N87 A88 Y90 I91	N48-D83 PolarHBondContact ND2-OD1 3.04Å; N48-D83 PolarHBondContact ND2-OD2 3.43Å; N48-D83 VanDerWaalsContact ND2-OD2 3.08Å; V79-D83 HydrophobicContact CG1-CB 4.13Å; T80-D83 PolarHBondContact O-N 3.04Å; T80-D83 WeakPolarHBondContact OG1-CB 3.49Å; T80-D83 PolarHBondContact OG1-N 3.11Å; T80-D83 VanDerWaalsContact OG1-N 3.14Å; T80-D83 PolarHBondContact OG1-OD2 3.21Å; D83-A86 PolarHBondContact O-N 3.21Å; D83-N87 PolarHBondContact O-N 3.31Å; D83-A88 HydrophobicContact CB-CB 4.15Å; D83-A88 WeakPolarHBondContact O-CB 3.46Å; D83-A88 PolarHBondContact O-N 3.14Å; D83-Y90 HydrophobicContact CB-CE1 3.96Å; D83-Y90 VanDerWaalsContact CB-OH 3.23Å; D83-Y90 WeakPolarHBondContact CB-OH 3.4Å; D83-Y90 PolarHBondContact OD2-OH 3.08Å; D83-Y90 VanDerWaalsContact OD2-OH 3.04Å; D83-I91 HydrophobicContact CB-CD1 4.18Å; D83-I91 WeakPolarHBondContact O-CD1 2.96Å
84	L	93.4	Very high	91.8	Very high	117 Å²	117	75.7 Å²	75.7	61%	0.613	40%	0.402	S	S	*	.	H	α-helix	trans	-65.7	-45.2	176.3	-172.8	66.1	0	0	0	111.4	V79 T80 P81 E82 A86 N87 I91	V79-L84 HydrophobicContact CG1-CB 4.18Å; T80-L84 PolarHBondContact O-N 2.77Å; T80-L84 VanDerWaalsContact O-N 3.11Å; P81-L84 PolarHBondContact O-N 3.25Å; E82-L84 VanDerWaalsContact C-N 3.3Å; E82-L84 PolarHBondContact O-N 3.08Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.11Å; L84-N87 PolarHBondContact O-N 3.13Å; L84-N87 VanDerWaalsContact O-N 3.08Å; L84-I91 HydrophobicContact CD1-CD1 4.48Å
85	K	94.6	Very high	91.6	Very high	192 Å²	192	73.2 Å²	73.2	84%	0.835	40%	0.398	S	S	*	.	H	α-helix	trans	-64.2	-36.5	177.8	-172.9	176.7	-178.3	179.8	0	112.1	P81 E82 N87	P81-K85 WeakPolarHBondContact O-CB 3.23Å; P81-K85 PolarHBondContact O-N 3.46Å; E82-K85 PolarHBondContact O-N 3.18Å; K85-N87 PolarHBondContact O-N 3.35Å
86	A	92.1	Very high	91.3	Very high	77 Å²	77	76.4 Å²	76.4	64%	0.636	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-4.1	175.6	0	0	0	0	0	113.5	E82 D83 L84 A88	E82-A86 VanDerWaalsContact O-CB 3.31Å; E82-A86 WeakPolarHBondContact O-CB 3.4Å; E82-A86 PolarHBondContact O-N 3.34Å; D83-A86 PolarHBondContact O-N 3.21Å; L84-A86 VanDerWaalsContact C-N 3.31Å; L84-A86 PolarHBondContact O-N 3.11Å; A86-A88 VanDerWaalsContact C-N 3.26Å; A86-A88 PolarHBondContact O-N 3.1Å
87	N	89.4	Confident	90.9	Very high	100 Å²	100	76.9 Å²	76.9	54%	0.535	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	42.5	-176.3	-160.7	15.5	0	0	0	112.3	D83 L84 K85 E89 K92	D83-N87 PolarHBondContact O-N 3.31Å; L84-N87 PolarHBondContact O-N 3.13Å; L84-N87 VanDerWaalsContact O-N 3.08Å; K85-N87 PolarHBondContact O-N 3.35Å; N87-E89 PolarHBondContact O-N 2.62Å; N87-K92 VanDerWaalsContact CG-NZ 3.34Å; N87-K92 PolarHBondContact ND2-NZ 3.37Å; N87-K92 WeakPolarHBondContact OD1-CE 3.41Å; N87-K92 PolarHBondContact OD1-NZ 3.41Å; N87-K92 VanDerWaalsContact OD1-NZ 3.07Å
88	A	88.4	Confident	90.6	Very high	17 Å²	17	79.9 Å²	79.9	14%	0.14	43%	0.432	C	S	.	.			trans	-56.8	134.7	-170.8	0	0	0	0	0	112.1	D83 A86 Y90 I91	D83-A88 HydrophobicContact CB-CB 4.15Å; D83-A88 WeakPolarHBondContact O-CB 3.46Å; D83-A88 PolarHBondContact O-N 3.14Å; A86-A88 VanDerWaalsContact C-N 3.26Å; A86-A88 PolarHBondContact O-N 3.1Å; A88-Y90 VanDerWaalsContact C-N 3.26Å; A88-Y90 HydrophobicContact CB-CD1 3.62Å; A88-Y90 HydrophobicContact CB-CE1 3.45Å; A88-Y90 VanDerWaalsContact CB-CE1 3.45Å; A88-Y90 PolarHBondContact O-N 2.94Å; A88-I91 HydrophobicContact CB-CD1 4.01Å; A88-I91 HydrophobicContact CB-CG1 4.31Å; A88-I91 WeakPolarHBondContact O-CB 3.31Å; A88-I91 PolarHBondContact O-N 3.45Å; A88-I91 VanDerWaalsContact O-N 3.11Å
89	E	86.6	Confident	90.2	Very high	96 Å²	96	77.8 Å²	77.8	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-57.6	-38.7	-170.3	-169.5	-170.7	165	0	0	112.9	V53 R57 N87 I91 K92 M93	V53-E89 HydrophobicContact CG2-CB 4.2Å; V53-E89 HydrophobicContact CG2-CG 4.5Å; R57-E89 IonicContact CZ-OE1 3.63Å; R57-E89 IonicContact NE-OE1 3.98Å; R57-E89 IonicContact NH2-OE1 2.62Å; R57-E89 PolarHBondContact NH2-OE1 3.28Å; R57-E89 IonicContact NH2-OE2 3.74Å; N87-E89 PolarHBondContact O-N 2.62Å; E89-I91 PolarHBondContact O-N 3.39Å; E89-I91 VanDerWaalsContact O-N 3.13Å; E89-K92 PolarHBondContact O-N 3.18Å; E89-K92 VanDerWaalsContact O-N 3.1Å; E89-M93 HydrophobicContact CG-CG 4.38Å; E89-M93 HydrophobicContact CG-SD 4.33Å; E89-M93 WeakPolarHBondContact O-CG 3.47Å; E89-M93 PolarHBondContact O-N 3.47Å
90	Y	86.6	Confident	89.9	Confident	1 Å²	1	78.7 Å²	78.7	0%	0.004	43%	0.427	C	S	.	.	H	α-helix	trans	-61.5	-25.1	-176.7	79.8	-88	0	0	0	113	N48 A52 M56 V77 M78 V79 D83 A88 M93 A94	N48-Y90 HydrophobicContact CB-CD1 4.44Å; N48-Y90 HydrophobicContact CB-CE1 3.71Å; N48-Y90 HydrophobicContact CB-CE2 4.43Å; A52-Y90 HydrophobicContact CB-CD2 4.02Å; A52-Y90 HydrophobicContact CB-CG 3.92Å; M56-Y90 WeakPolarHBondContact CE-O 3.48Å; V77-Y90 HydrophobicContact CB-CD2 4.09Å; V77-Y90 HydrophobicContact CB-CE2 4.06Å; V77-Y90 HydrophobicContact CG1-CD2 4.17Å; V77-Y90 HydrophobicContact CG2-CD2 4.29Å; V77-Y90 HydrophobicContact CG2-CE2 4.22Å; M78-Y90 WeakPolarHBondContact O-CE2 3.41Å; M78-Y90 PolarHBondContact O-OH 3.47Å; V79-Y90 HydrophobicContact CG2-CE2 4.2Å; D83-Y90 HydrophobicContact CB-CE1 3.96Å; D83-Y90 VanDerWaalsContact CB-OH 3.23Å; D83-Y90 WeakPolarHBondContact CB-OH 3.4Å; D83-Y90 PolarHBondContact OD2-OH 3.08Å; D83-Y90 VanDerWaalsContact OD2-OH 3.04Å; A88-Y90 VanDerWaalsContact C-N 3.26Å; A88-Y90 HydrophobicContact CB-CD1 3.62Å; A88-Y90 HydrophobicContact CB-CE1 3.45Å; A88-Y90 VanDerWaalsContact CB-CE1 3.45Å; A88-Y90 PolarHBondContact O-N 2.94Å; Y90-M93 PolarHBondContact O-N 2.87Å; Y90-A94 PolarHBondContact O-N 3.44Å; Y90-A94 VanDerWaalsContact O-N 3.17Å
91	I	85.8	Confident	89.4	Confident	44 Å²	44	80.3 Å²	80.3	23%	0.226	43%	0.432	C	S	.	.	H	α-helix	trans	-67.1	-41.6	177.9	-56.5	170.6	0	0	0	110.6	V79 D83 L84 A88 E89 M93	V79-I91 HydrophobicContact CG1-CD1 3.5Å; V79-I91 HydrophobicContact CG1-CG1 3.94Å; V79-I91 HydrophobicContact CG2-CD1 4.43Å; V79-I91 HydrophobicContact CG2-CG1 3.94Å; V79-I91 HydrophobicContact CG2-CG2 4.44Å; D83-I91 HydrophobicContact CB-CD1 4.18Å; D83-I91 WeakPolarHBondContact O-CD1 2.96Å; L84-I91 HydrophobicContact CD1-CD1 4.48Å; A88-I91 HydrophobicContact CB-CD1 4.01Å; A88-I91 HydrophobicContact CB-CG1 4.31Å; A88-I91 WeakPolarHBondContact O-CB 3.31Å; A88-I91 PolarHBondContact O-N 3.45Å; A88-I91 VanDerWaalsContact O-N 3.11Å; E89-I91 PolarHBondContact O-N 3.39Å; E89-I91 VanDerWaalsContact O-N 3.13Å; I91-M93 VanDerWaalsContact C-N 3.28Å
92	K	86.3	Confident	88.8	Confident	142 Å²	142	78.8 Å²	78.8	62%	0.617	42%	0.416	S	S	*	.	H	α-helix	trans	-75.8	-22.4	178.2	-63.6	177	-172.8	163.4	0	112.4	N87 E89	N87-K92 VanDerWaalsContact CG-NZ 3.34Å; N87-K92 PolarHBondContact ND2-NZ 3.37Å; N87-K92 WeakPolarHBondContact OD1-CE 3.41Å; N87-K92 PolarHBondContact OD1-NZ 3.41Å; N87-K92 VanDerWaalsContact OD1-NZ 3.07Å; E89-K92 PolarHBondContact O-N 3.18Å; E89-K92 VanDerWaalsContact O-N 3.1Å
93	M	84.8	Confident	88.2	Confident	27 Å²	27	74.4 Å²	74.4	13%	0.133	40%	0.399	C	S	.	.	H	α-helix	trans	-80.1	-27.5	178.8	-71.2	-167.4	71.7	0	0	112.5	V53 M56 R57 R60 E89 Y90 I91	V53-M93 HydrophobicContact CB-SD 4.35Å; V53-M93 HydrophobicContact CG1-SD 3.85Å; V53-M93 HydrophobicContact CG2-SD 4.19Å; M56-M93 HydrophobicContact CB-CE 4.26Å; M56-M93 HydrophobicContact CE-CB 3.61Å; M56-M93 HydrophobicContact CE-SD 4.46Å; M56-M93 HydrophobicContact SD-CB 3.97Å; R57-M93 HydrophobicContact CG-CE 3.38Å; R57-M93 HydrophobicContact CG-SD 4.37Å; R60-M93 PolarHBondContact NH1-O 3Å; R60-M93 PolarHBondContact NH2-O 3.07Å; E89-M93 HydrophobicContact CG-CG 4.38Å; E89-M93 HydrophobicContact CG-SD 4.33Å; E89-M93 WeakPolarHBondContact O-CG 3.47Å; E89-M93 PolarHBondContact O-N 3.47Å; Y90-M93 PolarHBondContact O-N 2.87Å; I91-M93 VanDerWaalsContact C-N 3.28Å
94	A	76.4	Confident	87.7	Confident	60 Å²	60	79.4 Å²	79.4	50%	0.496	43%	0.426	S	S	.	.			trans	-58.2	0	-176.3	0	0	0	0	0	113	R60 V77 Y90	R60-A94 PolarHBondContact NH2-OXT 3.04Å; V77-A94 HydrophobicContact CB-CB 4.24Å; V77-A94 HydrophobicContact CG1-CB 3.65Å; V77-A94 HydrophobicContact CG2-CB 3.54Å; Y90-A94 PolarHBondContact O-N 3.44Å; Y90-A94 VanDerWaalsContact O-N 3.17Å

Retrieved 94 of 94 residues in 75.7 ms (Link to these results)

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