A0A087YNJ2_POEFO Loading...

Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit DAD1

Subunit of the oligosaccharyl transferase (OST) complex that catalyzes the initial transfer of a defined glycan (Glc(3)Man(9)GlcNAc(2) in eukaryotes) from the lipid carrier dolichol-pyrophosphate to an asparagine residue within an Asn-X-Ser/Thr consensus motif in nascent polypeptide chains, the first step in protein N-glycosylation. N-glycosylation occurs cotranslationally and the complex associates with the Sec61 complex at the channel-forming translocon complex that mediates protein translocation across the endoplasmic reticulum (ER). All subunits are required for a maximal enzyme activity.

AlphaFold DB (A0A3B3TZC9), UniProt , Accession A0A087YNJ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 113 aa.

						>A0A087YNJ2_POEFO|A0A087YNJ2
MSNSVVSVISRFLEEYTTTTPNKLKVVDAYLLYILLTGAMQFLYCLLVGTFPFNSFLSGFISCVGSFILAVCLRIQINPQNKGDFLSISPERAFADFLFAHTVLHLVVMNFIG
					

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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	51.6	Low	83.1	Confident	227 Å²	227	112 Å²	112	100%	1.118	62%	0.622	S	S	*	*				0	109.7	0	-67.8	177	-172	0	0	106.9	N3	M1-N3 PolarHBondContact O-N 2.95Å; M1-N3 VanDerWaalsContact O-N 3.09Å
2	S	53.1	Low	84.1	Confident	115 Å²	115	115.2 Å²	115.2	80%	0.804	63%	0.625	S	S	*	*			trans	-69.9	105.9	175.5	57.2	0	0	0	0	107.8	S4	S2-S4 PolarHBondContact O-N 3.44Å
3	N	67.3	Low	84.9	Confident	141 Å²	141	113.7 Å²	113.7	75%	0.754	62%	0.616	S	S	*	*			trans	-66.7	89.3	172.2	-69.4	-20.6	0	0	0	107.8	M1	M1-N3 PolarHBondContact O-N 2.95Å; M1-N3 VanDerWaalsContact O-N 3.09Å
4	S	86.8	Confident	85.7	Confident	59 Å²	59	115.1 Å²	115.1	41%	0.413	62%	0.617	S	S	.	*			trans	-73.9	142	174	177.4	0	0	0	0	108.5	S2 V6 S7 V8	S2-S4 PolarHBondContact O-N 3.44Å; S4-V6 PolarHBondContact O-N 3.09Å; S4-V6 PolarHBondContact OG-N 2.75Å; S4-S7 PolarHBondContact N-OG 3.09Å; S4-S7 WeakPolarHBondContact O-CA 3.48Å; S4-S7 WeakPolarHBondContact O-CB 3.2Å; S4-S7 PolarHBondContact O-N 3Å; S4-S7 PolarHBondContact O-OG 3.27Å; S4-V8 PolarHBondContact O-N 3.2Å
5	V	91.4	Very high	86.3	Confident	108 Å²	108	115.3 Å²	115.3	66%	0.655	61%	0.612	S	S	*	*	H	α-helix	trans	-51.7	-34.5	174.7	179.6	0	0	0	0	110.7	S7 V8 I9	V5-S7 PolarHBondContact O-N 2.75Å; V5-V8 PolarHBondContact O-N 3.42Å; V5-I9 HydrophobicContact CG1-CD1 3.9Å; V5-I9 HydrophobicContact CG1-CG1 4.43Å; V5-I9 WeakPolarHBondContact O-CG1 3.47Å; V5-I9 PolarHBondContact O-N 3.43Å
6	V	92.1	Very high	86.9	Confident	106 Å²	106	112.4 Å²	112.4	64%	0.642	59%	0.591	S	S	*	*	H	α-helix	trans	-62.6	-39.4	175.6	-177.7	0	0	0	0	112.4	S4 V8 S10	S4-V6 PolarHBondContact O-N 3.09Å; S4-V6 PolarHBondContact OG-N 2.75Å; V6-V8 VanDerWaalsContact C-N 3.3Å; V6-V8 PolarHBondContact O-N 3.43Å; V6-S10 WeakPolarHBondContact O-CB 3.43Å; V6-S10 PolarHBondContact O-N 3.23Å; V6-S10 PolarHBondContact O-OG 3.45Å
7	S	92.4	Very high	87.2	Confident	42 Å²	42	110.5 Å²	110.5	29%	0.294	59%	0.585	S	S	.	*	H	α-helix	trans	-69.1	-28.2	176.9	65.3	0	0	0	0	113	S4 V5 S10 R11	S4-S7 PolarHBondContact N-OG 3.09Å; S4-S7 WeakPolarHBondContact O-CA 3.48Å; S4-S7 WeakPolarHBondContact O-CB 3.2Å; S4-S7 PolarHBondContact O-N 3Å; S4-S7 PolarHBondContact O-OG 3.27Å; V5-S7 PolarHBondContact O-N 2.75Å; S7-S10 WeakPolarHBondContact CA-OG 3.45Å; S7-S10 PolarHBondContact O-OG 3.47Å; S7-S10 VanDerWaalsContact O-OG 3.1Å; S7-R11 WeakPolarHBondContact O-CG 3.38Å; S7-R11 PolarHBondContact O-N 3.45Å
8	V	94.9	Very high	87.6	Confident	91 Å²	91	110.1 Å²	110.1	55%	0.552	59%	0.587	S	S	*	*	H	α-helix	trans	-75.4	-46.2	176	179.5	0	0	0	0	110.3	S4 V5 V6 S10 R11 F12	S4-V8 PolarHBondContact O-N 3.2Å; V5-V8 PolarHBondContact O-N 3.42Å; V6-V8 VanDerWaalsContact C-N 3.3Å; V6-V8 PolarHBondContact O-N 3.43Å; V8-S10 PolarHBondContact O-N 3.34Å; V8-R11 PolarHBondContact O-N 3.23Å; V8-F12 WeakPolarHBondContact O-CB 3.2Å; V8-F12 PolarHBondContact O-N 3.13Å
9	I	94.8	Very high	87.9	Confident	94 Å²	94	108.4 Å²	108.4	48%	0.482	58%	0.582	S	S	.	*	H	α-helix	trans	-61.5	-46.1	178.9	-67	169.1	0	0	0	110.9	V5 R11 F12 L13	V5-I9 HydrophobicContact CG1-CD1 3.9Å; V5-I9 HydrophobicContact CG1-CG1 4.43Å; V5-I9 WeakPolarHBondContact O-CG1 3.47Å; V5-I9 PolarHBondContact O-N 3.43Å; I9-R11 PolarHBondContact O-N 2.98Å; I9-F12 PolarHBondContact O-N 3.16Å; I9-L13 HydrophobicContact CG2-CD1 3.88Å; I9-L13 HydrophobicContact CG2-CG 4.34Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 WeakPolarHBondContact O-CG 3.45Å; I9-L13 PolarHBondContact O-N 3.39Å
10	S	94.2	Very high	88.3	Confident	60 Å²	60	104 Å²	104	42%	0.42	56%	0.559	S	S	.	*	H	α-helix	trans	-60.2	-46.6	179	45.6	0	0	0	0	112.3	V6 S7 V8 F12 L13 E14	V6-S10 WeakPolarHBondContact O-CB 3.43Å; V6-S10 PolarHBondContact O-N 3.23Å; V6-S10 PolarHBondContact O-OG 3.45Å; S7-S10 WeakPolarHBondContact CA-OG 3.45Å; S7-S10 PolarHBondContact O-OG 3.47Å; S7-S10 VanDerWaalsContact O-OG 3.1Å; V8-S10 PolarHBondContact O-N 3.34Å; S10-F12 PolarHBondContact O-N 2.78Å; S10-L13 PolarHBondContact O-N 2.97Å; S10-E14 WeakPolarHBondContact O-CB 3.41Å; S10-E14 PolarHBondContact O-N 2.95Å
11	R	95.1	Very high	88.6	Confident	189 Å²	189	101.9 Å²	101.9	71%	0.713	55%	0.551	S	S	*	*	H	α-helix	trans	-60.7	-42.4	175.2	-76.4	-175.9	175.9	-160.9	-0.6	112.8	S7 V8 I9 E14 E15	S7-R11 WeakPolarHBondContact O-CG 3.38Å; S7-R11 PolarHBondContact O-N 3.45Å; V8-R11 PolarHBondContact O-N 3.23Å; I9-R11 PolarHBondContact O-N 2.98Å; R11-E14 PolarHBondContact O-N 3.26Å; R11-E15 WeakPolarHBondContact O-CB 3.32Å; R11-E15 PolarHBondContact O-N 3.35Å
12	F	95.5	Very high	90.6	Very high	150 Å²	150	96.9 Å²	96.9	66%	0.658	53%	0.529	S	S	*	.	H	α-helix	trans	-65.7	-39.9	179.3	-171.5	-95.5	0	0	0	112.2	V8 I9 S10 Y16	V8-F12 WeakPolarHBondContact O-CB 3.2Å; V8-F12 PolarHBondContact O-N 3.13Å; I9-F12 PolarHBondContact O-N 3.16Å; S10-F12 PolarHBondContact O-N 2.78Å; F12-Y16 VanDerWaalsContact O-CB 3.29Å; F12-Y16 WeakPolarHBondContact O-CB 3.45Å; F12-Y16 PolarHBondContact O-N 3.09Å
13	L	94.6	Very high	92.5	Very high	96 Å²	96	99.7 Å²	99.7	50%	0.503	53%	0.526	S	S	.	.	H	α-helix	trans	-66.9	-40.7	176.4	-74.7	173.7	0	0	0	112.4	I9 S10 T17	I9-L13 HydrophobicContact CG2-CD1 3.88Å; I9-L13 HydrophobicContact CG2-CG 4.34Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 WeakPolarHBondContact O-CG 3.45Å; I9-L13 PolarHBondContact O-N 3.39Å; S10-L13 PolarHBondContact O-N 2.97Å; L13-T17 WeakPolarHBondContact O-CB 3.33Å; L13-T17 PolarHBondContact O-N 3.43Å; L13-T17 PolarHBondContact O-OG1 3.05Å
14	E	96	Very high	93.8	Very high	134 Å²	134	93.4 Å²	93.4	63%	0.626	49%	0.493	S	S	*	.	H	α-helix	trans	-61.4	-51.7	175.7	-173.2	174	-173.5	0	0	110.5	S10 R11 Y16 T17 T18	S10-E14 WeakPolarHBondContact O-CB 3.41Å; S10-E14 PolarHBondContact O-N 2.95Å; R11-E14 PolarHBondContact O-N 3.26Å; E14-Y16 PolarHBondContact O-N 2.98Å; E14-T17 PolarHBondContact O-N 3.46Å; E14-T17 VanDerWaalsContact O-N 3.12Å; E14-T18 WeakPolarHBondContact O-CG2 3.32Å; E14-T18 PolarHBondContact O-N 3.02Å; E14-T18 PolarHBondContact O-OG1 3.44Å; E14-T18 VanDerWaalsContact O-OG1 3.13Å
15	E	95.1	Very high	94.3	Very high	118 Å²	118	93.1 Å²	93.1	55%	0.551	48%	0.484	S	S	*	.	H	α-helix	trans	-59.6	-45.5	178.4	-171.8	66.1	-165.8	0	0	112.1	R11 T17 T18 T19	R11-E15 WeakPolarHBondContact O-CB 3.32Å; R11-E15 PolarHBondContact O-N 3.35Å; E15-T17 VanDerWaalsContact C-N 3.28Å; E15-T17 PolarHBondContact O-N 3.02Å; E15-T18 PolarHBondContact O-N 2.72Å; E15-T18 PolarHBondContact O-OG1 2.99Å; E15-T18 VanDerWaalsContact O-OG1 3.06Å; E15-T19 HydrophobicContact CG-CG2 4.24Å; E15-T19 WeakPolarHBondContact O-CB 3.33Å; E15-T19 WeakPolarHBondContact O-CG2 3.47Å; E15-T19 PolarHBondContact O-N 2.96Å; E15-T19 PolarHBondContact O-OG1 2.88Å; E15-T19 WeakPolarHBondContact OE1-CG2 3.13Å
16	Y	95.1	Very high	94.6	Very high	68 Å²	68	92.9 Å²	92.9	27%	0.267	48%	0.482	S	S	.	.	H	α-helix	trans	-58.7	-42.5	176.2	170.4	-99.9	0	0	0	111.7	F12 E14 T20 D28	F12-Y16 VanDerWaalsContact O-CB 3.29Å; F12-Y16 WeakPolarHBondContact O-CB 3.45Å; F12-Y16 PolarHBondContact O-N 3.09Å; E14-Y16 PolarHBondContact O-N 2.98Å; Y16-T20 WeakPolarHBondContact CD2-OG1 3.35Å; Y16-T20 HydrophobicContact CE2-CG2 4.06Å; Y16-T20 WeakPolarHBondContact CE2-OG1 3.45Å; Y16-T20 WeakPolarHBondContact O-CB 3.5Å; Y16-T20 PolarHBondContact O-N 3.28Å; Y16-T20 VanDerWaalsContact O-N 3.09Å; Y16-T20 PolarHBondContact O-OG1 2.91Å; Y16-D28 WeakPolarHBondContact CE2-OD2 3.41Å; Y16-D28 WeakPolarHBondContact OH-CB 3.5Å; Y16-D28 PolarHBondContact OH-OD2 3.41Å
17	T	93.4	Very high	94.8	Very high	80 Å²	80	88.7 Å²	88.7	49%	0.491	46%	0.457	S	S	.	.	H	α-helix	trans	-70.8	-35.1	-176	-57.4	0	0	0	0	112	L13 E14 E15 K25	L13-T17 WeakPolarHBondContact O-CB 3.33Å; L13-T17 PolarHBondContact O-N 3.43Å; L13-T17 PolarHBondContact O-OG1 3.05Å; E14-T17 PolarHBondContact O-N 3.46Å; E14-T17 VanDerWaalsContact O-N 3.12Å; E15-T17 VanDerWaalsContact C-N 3.28Å; E15-T17 PolarHBondContact O-N 3.02Å; T17-K25 PolarHBondContact O-NZ 2.92Å
18	T	93.9	Very high	95.1	Very high	103 Å²	103	87.6 Å²	87.6	63%	0.632	45%	0.448	S	S	*	.	H	α-helix	trans	-81.3	-38.8	-180	54.5	0	0	0	0	112.7	E14 E15	E14-T18 WeakPolarHBondContact O-CG2 3.32Å; E14-T18 PolarHBondContact O-N 3.02Å; E14-T18 PolarHBondContact O-OG1 3.44Å; E14-T18 VanDerWaalsContact O-OG1 3.13Å; E15-T18 PolarHBondContact O-N 2.72Å; E15-T18 PolarHBondContact O-OG1 2.99Å; E15-T18 VanDerWaalsContact O-OG1 3.06Å
19	T	93.9	Very high	95.2	Very high	79 Å²	79	86.1 Å²	86.1	49%	0.485	45%	0.446	S	S	.	.	H	α-helix	trans	-86.7	-27.4	-174.2	59.2	0	0	0	0	114.3	E15 P21	E15-T19 HydrophobicContact CG-CG2 4.24Å; E15-T19 WeakPolarHBondContact O-CB 3.33Å; E15-T19 WeakPolarHBondContact O-CG2 3.47Å; E15-T19 PolarHBondContact O-N 2.96Å; E15-T19 PolarHBondContact O-OG1 2.88Å; E15-T19 WeakPolarHBondContact OE1-CG2 3.13Å; T19-P21 WeakPolarHBondContact O-CD 3.37Å
20	T	94.4	Very high	95.4	Very high	20 Å²	20	85.2 Å²	85.2	12%	0.123	44%	0.437	C	S	.	.	S	Bend	trans	-87.7	123.7	-173.3	-55.2	0	0	0	0	111.9	Y16 L24 K25	Y16-T20 WeakPolarHBondContact CD2-OG1 3.35Å; Y16-T20 HydrophobicContact CE2-CG2 4.06Å; Y16-T20 WeakPolarHBondContact CE2-OG1 3.45Å; Y16-T20 WeakPolarHBondContact O-CB 3.5Å; Y16-T20 PolarHBondContact O-N 3.28Å; Y16-T20 VanDerWaalsContact O-N 3.09Å; Y16-T20 PolarHBondContact O-OG1 2.91Å; T20-L24 HydrophobicContact CG2-CB 3.66Å; T20-K25 HydrophobicContact CG2-CG 3.92Å; T20-K25 WeakPolarHBondContact O-CE 3.43Å
21	P	94.6	Very high	95.6	Very high	59 Å²	59	83 Å²	83	38%	0.383	42%	0.42	S	S	.	.			trans	-61.6	148.9	174.3	-22.4	32.5	0	0	0	113.4	T19 K23 L24 K25	T19-P21 WeakPolarHBondContact O-CD 3.37Å; P21-K23 VanDerWaalsContact C-N 3.26Å; P21-K23 PolarHBondContact O-N 3Å; P21-K23 VanDerWaalsContact O-N 3.16Å; P21-L24 HydrophobicContact CB-CD1 3.99Å; P21-L24 HydrophobicContact CG-CD1 3.91Å; P21-L24 PolarHBondContact O-N 3.37Å; P21-K25 PolarHBondContact O-N 3.12Å; P21-K25 VanDerWaalsContact O-N 3.13Å
22	N	94.4	Very high	95.7	Very high	123 Å²	123	78.8 Å²	78.8	66%	0.658	41%	0.411	S	S	*	.	H	α-helix	trans	-55.8	-36.2	-178.8	-71.9	-23.4	0	0	0	113.8	L24 K25 V26	N22-L24 VanDerWaalsContact C-N 3.32Å; N22-L24 PolarHBondContact O-N 3.4Å; N22-K25 PolarHBondContact O-N 3.01Å; N22-V26 WeakPolarHBondContact O-CG2 3.42Å; N22-V26 PolarHBondContact O-N 3.09Å; N22-V26 VanDerWaalsContact O-N 3.09Å
23	K	93.3	Very high	95.8	Very high	173 Å²	173	78.6 Å²	78.6	75%	0.752	41%	0.407	S	S	*	.	H	α-helix	trans	-60.5	-41.2	176.3	-67.8	-174.7	178.7	-177	0	112.1	P21 V26 V27	P21-K23 VanDerWaalsContact C-N 3.26Å; P21-K23 PolarHBondContact O-N 3Å; P21-K23 VanDerWaalsContact O-N 3.16Å; K23-V26 PolarHBondContact O-N 2.63Å; K23-V27 PolarHBondContact O-N 3.28Å
24	L	95.1	Very high	96	Very high	9 Å²	9	74.4 Å²	74.4	5%	0.047	39%	0.385	C	S	.	.	H	α-helix	trans	-70.2	-38.2	176.5	-79.3	95.1	0	0	0	111.2	T20 P21 N22 V26 V27 D28 R74 I77 N78	T20-L24 HydrophobicContact CG2-CB 3.66Å; P21-L24 HydrophobicContact CB-CD1 3.99Å; P21-L24 HydrophobicContact CG-CD1 3.91Å; P21-L24 PolarHBondContact O-N 3.37Å; N22-L24 VanDerWaalsContact C-N 3.32Å; N22-L24 PolarHBondContact O-N 3.4Å; L24-V26 PolarHBondContact O-N 3.06Å; L24-V27 WeakPolarHBondContact O-CB 3.44Å; L24-V27 PolarHBondContact O-N 3.01Å; L24-V27 VanDerWaalsContact O-N 3.07Å; L24-D28 PolarHBondContact O-N 3.4Å; L24-D28 VanDerWaalsContact O-OD1 3.08Å; L24-R74 HydrophobicContact CD2-CG 4.1Å; L24-I77 HydrophobicContact CG-CG1 4.49Å; L24-N78 HydrophobicContact CD2-CB 4.06Å
25	K	96.4	Very high	96.1	Very high	53 Å²	53	72.7 Å²	72.7	23%	0.23	38%	0.38	C	S	.	.	H	α-helix	trans	-58.9	-34.9	174.6	-66.2	-179.9	178.3	165.8	0	113	T17 T20 P21 N22 D28 A29	T17-K25 PolarHBondContact O-NZ 2.92Å; T20-K25 HydrophobicContact CG2-CG 3.92Å; T20-K25 WeakPolarHBondContact O-CE 3.43Å; P21-K25 PolarHBondContact O-N 3.12Å; P21-K25 VanDerWaalsContact O-N 3.13Å; N22-K25 PolarHBondContact O-N 3.01Å; K25-D28 PolarHBondContact O-N 2.85Å; K25-A29 PolarHBondContact O-N 3.34Å
26	V	97.1	Very high	96.3	Very high	103 Å²	103	71.6 Å²	71.6	62%	0.624	38%	0.377	S	S	*	.	H	α-helix	trans	-65.6	-44.1	174.1	173.4	0	0	0	0	111.2	N22 K23 L24 D28 A29 Y30	N22-V26 WeakPolarHBondContact O-CG2 3.42Å; N22-V26 PolarHBondContact O-N 3.09Å; N22-V26 VanDerWaalsContact O-N 3.09Å; K23-V26 PolarHBondContact O-N 2.63Å; L24-V26 PolarHBondContact O-N 3.06Å; V26-D28 VanDerWaalsContact C-N 3.25Å; V26-D28 PolarHBondContact O-N 3.43Å; V26-A29 PolarHBondContact O-N 3.13Å; V26-Y30 PolarHBondContact O-N 3.36Å
27	V	97.1	Very high	96.4	Very high	19 Å²	19	69.9 Å²	69.9	12%	0.115	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-36.8	174.6	179.1	0	0	0	0	110.9	K23 L24 Y30 L31 R74 I77	K23-V27 PolarHBondContact O-N 3.28Å; L24-V27 WeakPolarHBondContact O-CB 3.44Å; L24-V27 PolarHBondContact O-N 3.01Å; L24-V27 VanDerWaalsContact O-N 3.07Å; V27-Y30 WeakPolarHBondContact O-CB 3.49Å; V27-Y30 PolarHBondContact O-N 2.62Å; V27-L31 HydrophobicContact CG1-CD1 4.31Å; V27-L31 WeakPolarHBondContact O-CG 3.42Å; V27-L31 PolarHBondContact O-N 2.99Å; V27-R74 HydrophobicContact CG1-CB 4Å; V27-I77 HydrophobicContact CG2-CD1 4.11Å
28	D	97.6	Very high	96.6	Very high	18 Å²	18	66.5 Å²	66.5	10%	0.096	35%	0.354	C	S	.	.	H	α-helix	trans	-69.2	-39.7	179.1	-64.5	-2	0	0	0	112.1	Y16 L24 K25 V26 Y30 L31 L32 R74	Y16-D28 WeakPolarHBondContact CE2-OD2 3.41Å; Y16-D28 WeakPolarHBondContact OH-CB 3.5Å; Y16-D28 PolarHBondContact OH-OD2 3.41Å; L24-D28 PolarHBondContact O-N 3.4Å; L24-D28 VanDerWaalsContact O-OD1 3.08Å; K25-D28 PolarHBondContact O-N 2.85Å; V26-D28 VanDerWaalsContact C-N 3.25Å; V26-D28 PolarHBondContact O-N 3.43Å; D28-Y30 VanDerWaalsContact C-N 3.32Å; D28-L31 PolarHBondContact O-N 2.85Å; D28-L32 PolarHBondContact O-N 3.34Å; D28-R74 VanDerWaalsContact CG-CZ 3.47Å; D28-R74 IonicContact OD1-CZ 3.04Å; D28-R74 IonicContact OD1-NE 3.52Å; D28-R74 IonicContact OD1-NH1 2.58Å; D28-R74 PolarHBondContact OD1-NH1 3.36Å; D28-R74 IonicContact OD1-NH2 3.67Å; D28-R74 IonicContact OD2-CZ 3.17Å; D28-R74 IonicContact OD2-NH1 2.85Å; D28-R74 PolarHBondContact OD2-NH1 2.92Å; D28-R74 IonicContact OD2-NH2 3Å; D28-R74 PolarHBondContact OD2-NH2 2.58Å
29	A	97.9	Very high	96.8	Very high	61 Å²	61	64.3 Å²	64.3	50%	0.504	35%	0.347	S	S	.	.	H	α-helix	trans	-63.1	-40.1	171.9	0	0	0	0	0	111.5	K25 V26 L32 Y33	K25-A29 PolarHBondContact O-N 3.34Å; V26-A29 PolarHBondContact O-N 3.13Å; A29-L32 PolarHBondContact O-N 2.87Å; A29-Y33 PolarHBondContact O-N 3.07Å
30	Y	97.9	Very high	97	Very high	75 Å²	75	66.3 Å²	66.3	29%	0.294	35%	0.352	S	S	.	.	H	α-helix	trans	-63.3	-44.3	173.7	176.9	-120.4	0	0	0	112.2	V26 V27 D28 L32 Y33 I34 A70 F97 H101	V26-Y30 PolarHBondContact O-N 3.36Å; V27-Y30 WeakPolarHBondContact O-CB 3.49Å; V27-Y30 PolarHBondContact O-N 2.62Å; D28-Y30 VanDerWaalsContact C-N 3.32Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 3.31Å; Y30-Y33 HydrophobicContact CD2-CD1 4.19Å; Y30-Y33 HydrophobicContact CE2-CD1 4.33Å; Y30-Y33 WeakPolarHBondContact O-CB 3.42Å; Y30-Y33 PolarHBondContact O-N 2.96Å; Y30-I34 HydrophobicContact CD1-CD1 3.74Å; Y30-I34 HydrophobicContact CD2-CD1 4.06Å; Y30-I34 HydrophobicContact CD2-CG1 4.23Å; Y30-I34 HydrophobicContact CE1-CD1 3.28Å; Y30-I34 HydrophobicContact CE1-CG1 4.37Å; Y30-I34 HydrophobicContact CE2-CD1 3.61Å; Y30-I34 HydrophobicContact CE2-CG1 3.83Å; Y30-I34 HydrophobicContact CG-CD1 4.12Å; Y30-I34 WeakPolarHBondContact O-CG1 3.36Å; Y30-I34 PolarHBondContact O-N 3.32Å; Y30-A70 HydrophobicContact CD1-CB 3.85Å; Y30-A70 HydrophobicContact CE1-CB 3.84Å; Y30-F97 HydrophobicContact CE1-CZ 4.27Å; Y30-H101 PolarHBondContact OH-NE2 3Å
31	L	98.3	Very high	97.1	Very high	14 Å²	14	68.2 Å²	68.2	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-58.5	-44.2	174.7	-79.7	167.5	0	0	0	111.9	V27 D28 I34 L35 F67 A70 V71	V27-L31 HydrophobicContact CG1-CD1 4.31Å; V27-L31 WeakPolarHBondContact O-CG 3.42Å; V27-L31 PolarHBondContact O-N 2.99Å; D28-L31 PolarHBondContact O-N 2.85Å; L31-I34 PolarHBondContact O-N 3.4Å; L31-L35 WeakPolarHBondContact O-CB 3.18Å; L31-L35 PolarHBondContact O-N 3.21Å; L31-F67 HydrophobicContact CB-CD2 4.43Å; L31-F67 HydrophobicContact CB-CE2 4.06Å; L31-F67 HydrophobicContact CD2-CD1 4.32Å; L31-F67 HydrophobicContact CD2-CD2 3.51Å; L31-F67 HydrophobicContact CD2-CE1 4.37Å; L31-F67 HydrophobicContact CD2-CE2 3.58Å; L31-F67 HydrophobicContact CD2-CG 3.91Å; L31-F67 HydrophobicContact CD2-CZ 4.02Å; L31-F67 WeakPolarHBondContact CD2-O 3.33Å; L31-F67 HydrophobicContact CG-CE2 4.42Å; L31-A70 HydrophobicContact CD2-CB 3.58Å; L31-A70 HydrophobicContact CG-CB 4.01Å; L31-V71 HydrophobicContact CD1-CG2 4.15Å; L31-V71 HydrophobicContact CD2-CG2 3.61Å
32	L	98.3	Very high	97.1	Very high	99 Å²	99	70.1 Å²	70.1	52%	0.518	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-44.8	176.7	-178.4	63.5	0	0	0	111.4	D28 A29 Y30 I34 L35 L36	D28-L32 PolarHBondContact O-N 3.34Å; A29-L32 PolarHBondContact O-N 2.87Å; Y30-L32 VanDerWaalsContact C-N 3.33Å; Y30-L32 PolarHBondContact O-N 3.31Å; L32-I34 PolarHBondContact O-N 3.35Å; L32-L35 PolarHBondContact O-N 2.83Å; L32-L36 HydrophobicContact CD1-CD1 4.3Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.1Å; L32-L36 HydrophobicContact CG-CG 4.48Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 3.16Å
33	Y	98.2	Very high	97.3	Very high	146 Å²	146	68.8 Å²	68.8	57%	0.573	36%	0.355	S	S	*	.	H	α-helix	trans	-57.7	-47.9	176.4	160.4	-102.9	0	0	0	112.3	A29 Y30 L36 T37	A29-Y33 PolarHBondContact O-N 3.07Å; Y30-Y33 HydrophobicContact CD2-CD1 4.19Å; Y30-Y33 HydrophobicContact CE2-CD1 4.33Å; Y30-Y33 WeakPolarHBondContact O-CB 3.42Å; Y30-Y33 PolarHBondContact O-N 2.96Å; Y33-L36 PolarHBondContact O-N 3.48Å; Y33-T37 WeakPolarHBondContact O-CB 3.23Å; Y33-T37 PolarHBondContact O-N 2.91Å; Y33-T37 PolarHBondContact O-OG1 2.92Å
34	I	98.1	Very high	97.4	Very high	8 Å²	8	67.7 Å²	67.7	4%	0.041	35%	0.347	C	S	.	.	H	α-helix	trans	-63.8	-43.7	179.1	-64.1	162.7	0	0	0	110.8	Y30 L31 L32 L36 T37 G38 C63 F67	Y30-I34 HydrophobicContact CD1-CD1 3.74Å; Y30-I34 HydrophobicContact CD2-CD1 4.06Å; Y30-I34 HydrophobicContact CD2-CG1 4.23Å; Y30-I34 HydrophobicContact CE1-CD1 3.28Å; Y30-I34 HydrophobicContact CE1-CG1 4.37Å; Y30-I34 HydrophobicContact CE2-CD1 3.61Å; Y30-I34 HydrophobicContact CE2-CG1 3.83Å; Y30-I34 HydrophobicContact CG-CD1 4.12Å; Y30-I34 WeakPolarHBondContact O-CG1 3.36Å; Y30-I34 PolarHBondContact O-N 3.32Å; L31-I34 PolarHBondContact O-N 3.4Å; L32-I34 PolarHBondContact O-N 3.35Å; I34-L36 PolarHBondContact O-N 3.02Å; I34-T37 PolarHBondContact O-N 3.34Å; I34-G38 PolarHBondContact O-N 3.33Å; I34-C63 HydrophobicContact CG2-CB 4.08Å; I34-C63 WeakPolarHBondContact CG2-O 3.43Å; I34-F67 HydrophobicContact CG2-CB 3.95Å
35	L	98.1	Very high	97.4	Very high	98 Å²	98	67.9 Å²	67.9	51%	0.513	35%	0.349	S	S	.	.	H	α-helix	trans	-58.7	-47.8	178.8	-178.8	71.7	0	0	0	111.3	L31 L32 T37 G38 A39 F67	L31-L35 WeakPolarHBondContact O-CB 3.18Å; L31-L35 PolarHBondContact O-N 3.21Å; L32-L35 PolarHBondContact O-N 2.83Å; L35-T37 VanDerWaalsContact C-N 3.31Å; L35-T37 PolarHBondContact O-N 3.47Å; L35-G38 PolarHBondContact O-N 3.31Å; L35-A39 WeakPolarHBondContact O-CB 3.4Å; L35-A39 PolarHBondContact O-N 2.95Å; L35-F67 HydrophobicContact CB-CD2 4.36Å; L35-F67 HydrophobicContact CB-CE2 4.12Å; L35-F67 HydrophobicContact CD1-CE2 4.42Å
36	L	98.3	Very high	97.3	Very high	95 Å²	95	70.8 Å²	70.8	50%	0.497	37%	0.366	S	S	.	.	H	α-helix	trans	-62.3	-40.3	177.4	-69	174.4	0	0	0	111.3	L32 Y33 I34 A39 M40	L32-L36 HydrophobicContact CD1-CD1 4.3Å; L32-L36 HydrophobicContact CD1-CG 4.29Å; L32-L36 HydrophobicContact CG-CD1 4.1Å; L32-L36 HydrophobicContact CG-CG 4.48Å; L32-L36 VanDerWaalsContact O-CG 3.28Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 3.16Å; Y33-L36 PolarHBondContact O-N 3.48Å; I34-L36 PolarHBondContact O-N 3.02Å; L36-A39 PolarHBondContact O-N 3.43Å; L36-M40 WeakPolarHBondContact O-CB 3.2Å; L36-M40 WeakPolarHBondContact O-CG 3.34Å; L36-M40 PolarHBondContact O-N 2.89Å
37	T	98.1	Very high	97.3	Very high	33 Å²	33	72.2 Å²	72.2	20%	0.202	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-47	177.3	-56.3	0	0	0	0	111.9	Y33 I34 L35 A39 M40 Q41	Y33-T37 WeakPolarHBondContact O-CB 3.23Å; Y33-T37 PolarHBondContact O-N 2.91Å; Y33-T37 PolarHBondContact O-OG1 2.92Å; I34-T37 PolarHBondContact O-N 3.34Å; L35-T37 VanDerWaalsContact C-N 3.31Å; L35-T37 PolarHBondContact O-N 3.47Å; T37-A39 PolarHBondContact O-N 3.34Å; T37-M40 PolarHBondContact O-N 3.22Å; T37-Q41 PolarHBondContact O-N 2.96Å
38	G	97.9	Very high	97.2	Very high	8 Å²	8	75.9 Å²	75.9	8%	0.082	39%	0.392	C	S	.	.	H	α-helix	trans	-63.7	-39.2	176.3	0	0	0	0	0	112.7	I34 L35 Q41 F42	I34-G38 PolarHBondContact O-N 3.33Å; L35-G38 PolarHBondContact O-N 3.31Å; G38-Q41 PolarHBondContact O-N 3.19Å; G38-F42 WeakPolarHBondContact O-CB 3.47Å; G38-F42 PolarHBondContact O-N 3.07Å
39	A	98.1	Very high	96.8	Very high	57 Å²	57	76.7 Å²	76.7	47%	0.471	40%	0.404	S	S	.	.	H	α-helix	trans	-63.5	-41.9	174.6	0	0	0	0	0	112	L35 L36 T37 F42 L43	L35-A39 WeakPolarHBondContact O-CB 3.4Å; L35-A39 PolarHBondContact O-N 2.95Å; L36-A39 PolarHBondContact O-N 3.43Å; T37-A39 PolarHBondContact O-N 3.34Å; A39-F42 PolarHBondContact O-N 3.49Å; A39-L43 WeakPolarHBondContact O-CB 3.49Å; A39-L43 PolarHBondContact O-N 2.96Å
40	M	97.5	Very high	96.5	Very high	121 Å²	121	77.7 Å²	77.7	60%	0.596	40%	0.404	S	S	*	.	H	α-helix	trans	-65.2	-42.5	175.4	-73.8	-173.7	-65.4	0	0	112.2	L36 T37 L43 Y44	L36-M40 WeakPolarHBondContact O-CB 3.2Å; L36-M40 WeakPolarHBondContact O-CG 3.34Å; L36-M40 PolarHBondContact O-N 2.89Å; T37-M40 PolarHBondContact O-N 3.22Å; M40-L43 PolarHBondContact O-N 3.17Å; M40-Y44 WeakPolarHBondContact O-CB 3.43Å; M40-Y44 PolarHBondContact O-N 3.45Å
41	Q	96.2	Very high	96.1	Very high	60 Å²	60	83.7 Å²	83.7	28%	0.28	43%	0.432	S	S	.	.	H	α-helix	trans	-60.7	-44.3	174.5	-78.6	179.5	-36.7	0	0	112	T37 G38 Y44 C45 G59 C63	T37-Q41 PolarHBondContact O-N 2.96Å; G38-Q41 PolarHBondContact O-N 3.19Å; Q41-Y44 PolarHBondContact O-N 3.3Å; Q41-C45 PolarHBondContact O-N 3.1Å; Q41-G59 VanDerWaalsContact OE1-C 3.32Å; Q41-G59 PolarHBondContact OE1-O 3.44Å; Q41-G59 VanDerWaalsContact OE1-O 3.09Å; Q41-C63 PolarHBondContact OE1-SG 3.46Å
42	F	96	Very high	95.7	Very high	99 Å²	99	86 Å²	86	43%	0.434	45%	0.448	S	S	.	.	H	α-helix	trans	-63.7	-44.7	177.4	-175.9	-107.9	0	0	0	111.6	G38 A39 Y44 C45 L46 F56 F60	G38-F42 WeakPolarHBondContact O-CB 3.47Å; G38-F42 PolarHBondContact O-N 3.07Å; A39-F42 PolarHBondContact O-N 3.49Å; F42-Y44 VanDerWaalsContact C-N 3.34Å; F42-Y44 PolarHBondContact O-N 2.97Å; F42-C45 WeakPolarHBondContact O-CB 3.4Å; F42-C45 PolarHBondContact O-N 3.38Å; F42-L46 HydrophobicContact CD1-CD1 3.96Å; F42-L46 HydrophobicContact CD1-CG 4.4Å; F42-L46 HydrophobicContact CE1-CD1 3.52Å; F42-L46 HydrophobicContact CE1-CD2 4.47Å; F42-L46 HydrophobicContact CE1-CG 4.09Å; F42-L46 HydrophobicContact CZ-CD1 4.05Å; F42-L46 HydrophobicContact CZ-CD2 4.17Å; F42-L46 HydrophobicContact CZ-CG 4.23Å; F42-L46 WeakPolarHBondContact O-CG 3.48Å; F42-L46 PolarHBondContact O-N 3.06Å; F42-F56 HydrophobicContact CD2-CZ 4.25Å; F42-F60 HydrophobicContact CB-CD2 4.41Å; F42-F60 HydrophobicContact CB-CE2 3.96Å; F42-F60 HydrophobicContact CD2-CE2 4.4Å
43	L	97.3	Very high	95.4	Very high	96 Å²	96	86.4 Å²	86.4	50%	0.503	45%	0.446	S	S	.	.	H	α-helix	trans	-60.5	-43.5	176	-178.1	62.1	0	0	0	111.7	A39 M40 C45 L46 L47	A39-L43 WeakPolarHBondContact O-CB 3.49Å; A39-L43 PolarHBondContact O-N 2.96Å; M40-L43 PolarHBondContact O-N 3.17Å; L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 2.98Å; L43-L46 PolarHBondContact O-N 3.08Å; L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.19Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 3.5Å
44	Y	95.4	Very high	95.2	Very high	149 Å²	149	82.6 Å²	82.6	58%	0.584	44%	0.436	S	S	*	.	H	α-helix	trans	-58	-45.4	174.9	174.6	-92.8	0	0	0	111.7	M40 Q41 F42 L46 L47 V48	M40-Y44 WeakPolarHBondContact O-CB 3.43Å; M40-Y44 PolarHBondContact O-N 3.45Å; Q41-Y44 PolarHBondContact O-N 3.3Å; F42-Y44 VanDerWaalsContact C-N 3.34Å; F42-Y44 PolarHBondContact O-N 2.97Å; Y44-L46 VanDerWaalsContact C-N 3.3Å; Y44-L46 PolarHBondContact O-N 2.91Å; Y44-L47 PolarHBondContact O-N 3.17Å; Y44-V48 HydrophobicContact CD2-CB 4.42Å; Y44-V48 HydrophobicContact CD2-CG2 3.81Å; Y44-V48 HydrophobicContact CE1-CB 4.3Å; Y44-V48 HydrophobicContact CE2-CB 4.02Å; Y44-V48 HydrophobicContact CE2-CG1 4.28Å; Y44-V48 HydrophobicContact CE2-CG2 3.55Å; Y44-V48 HydrophobicContact CG-CG2 4.49Å; Y44-V48 PolarHBondContact O-N 3.35Å
45	C	94.9	Very high	95	Very high	13 Å²	13	84.2 Å²	84.2	9%	0.088	45%	0.447	C	S	.	.	H	α-helix	trans	-60.6	-38.1	176.9	-174.9	0	0	0	0	112.6	Q41 F42 L43 G49 F56	Q41-C45 PolarHBondContact O-N 3.1Å; F42-C45 WeakPolarHBondContact O-CB 3.4Å; F42-C45 PolarHBondContact O-N 3.38Å; L43-C45 VanDerWaalsContact C-N 3.33Å; L43-C45 PolarHBondContact O-N 2.98Å; C45-G49 CarbonylContact O-C 3.43Å; C45-G49 VanDerWaalsContact O-CA 3.3Å; C45-G49 WeakPolarHBondContact O-CA 3.33Å; C45-G49 PolarHBondContact O-N 2.88Å; C45-G49 VanDerWaalsContact O-N 3.09Å; C45-F56 HydrophobicContact CB-CD2 3.61Å; C45-F56 HydrophobicContact CB-CE1 4.43Å; C45-F56 HydrophobicContact CB-CE2 3.4Å; C45-F56 VanDerWaalsContact CB-CE2 3.4Å; C45-F56 HydrophobicContact CB-CG 4.23Å; C45-F56 HydrophobicContact CB-CZ 3.86Å
46	L	95.3	Very high	94.9	Very high	114 Å²	114	81.5 Å²	81.5	60%	0.597	43%	0.432	S	S	*	.	H	α-helix	trans	-69.1	-35.3	176.7	-68.4	-179.8	0	0	0	112.7	F42 L43 Y44	F42-L46 HydrophobicContact CD1-CD1 3.96Å; F42-L46 HydrophobicContact CD1-CG 4.4Å; F42-L46 HydrophobicContact CE1-CD1 3.52Å; F42-L46 HydrophobicContact CE1-CD2 4.47Å; F42-L46 HydrophobicContact CE1-CG 4.09Å; F42-L46 HydrophobicContact CZ-CD1 4.05Å; F42-L46 HydrophobicContact CZ-CD2 4.17Å; F42-L46 HydrophobicContact CZ-CG 4.23Å; F42-L46 WeakPolarHBondContact O-CG 3.48Å; F42-L46 PolarHBondContact O-N 3.06Å; L43-L46 PolarHBondContact O-N 3.08Å; Y44-L46 VanDerWaalsContact C-N 3.3Å; Y44-L46 PolarHBondContact O-N 2.91Å
47	L	96.3	Very high	94.7	Very high	133 Å²	133	79.5 Å²	79.5	70%	0.696	42%	0.421	S	S	*	.	H	α-helix	trans	-84.5	-41.1	-175.4	-67.4	174.9	0	0	0	113.3	L43 Y44	L43-L47 HydrophobicContact CD1-CD1 4.06Å; L43-L47 HydrophobicContact CD1-CG 4.19Å; L43-L47 HydrophobicContact CG-CD1 3.91Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 VanDerWaalsContact O-CG 3.31Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 3.5Å; Y44-L47 PolarHBondContact O-N 3.17Å
48	V	95.1	Very high	94.7	Very high	96 Å²	96	78 Å²	78	58%	0.582	41%	0.412	S	S	*	.	H	α-helix	trans	-102.5	-22.1	-171.1	-176.2	0	0	0	0	112.1	Y44	Y44-V48 HydrophobicContact CD2-CB 4.42Å; Y44-V48 HydrophobicContact CD2-CG2 3.81Å; Y44-V48 HydrophobicContact CE1-CB 4.3Å; Y44-V48 HydrophobicContact CE2-CB 4.02Å; Y44-V48 HydrophobicContact CE2-CG1 4.28Å; Y44-V48 HydrophobicContact CE2-CG2 3.55Å; Y44-V48 HydrophobicContact CG-CG2 4.49Å; Y44-V48 PolarHBondContact O-N 3.35Å
49	G	90.3	Very high	94.6	Very high	35 Å²	35	78.2 Å²	78.2	36%	0.361	41%	0.414	S	S	.	.			trans	105.6	-174.4	-178.2	0	0	0	0	0	113.1	C45	C45-G49 CarbonylContact O-C 3.43Å; C45-G49 VanDerWaalsContact O-CA 3.3Å; C45-G49 WeakPolarHBondContact O-CA 3.33Å; C45-G49 PolarHBondContact O-N 2.88Å; C45-G49 VanDerWaalsContact O-N 3.09Å
50	T	90.1	Very high	94.6	Very high	82 Å²	82	78.2 Å²	78.2	50%	0.503	40%	0.404	S	S	.	.			trans	-107.1	2.6	-162.6	52.7	0	0	0	0	114.4	P52 F53	T50-P52 CarbonylContact O-C 3.11Å; T50-F53 HydrophobicContact CG2-CD2 4.46Å; T50-F53 WeakPolarHBondContact O-CA 3.49Å; T50-F53 WeakPolarHBondContact O-CB 3.38Å; T50-F53 PolarHBondContact O-N 3.42Å
51	F	90.1	Very high	94.5	Very high	201 Å²	201	76.3 Å²	76.3	88%	0.882	40%	0.395	S	S	*	.	S	Bend	trans	-94.8	126	179.7	-175.4	-95.9	0	0	0	111.1
52	P	90.7	Very high	94.6	Very high	63 Å²	63	74.4 Å²	74.4	41%	0.409	39%	0.388	S	S	.	.	S	Bend	cis	-81	132.1	-6.1	30.6	-33.1	0	0	0	113.7	T50 S55 F56	T50-P52 CarbonylContact O-C 3.11Å; P52-S55 WeakPolarHBondContact CG-OG 3.47Å; P52-S55 PolarHBondContact O-N 3.11Å; P52-F56 PolarHBondContact O-N 2.98Å
53	F	90.9	Very high	94.7	Very high	108 Å²	108	70.4 Å²	70.4	47%	0.474	37%	0.372	S	S	.	.	H	α-helix	trans	-72.1	-36.6	-171.2	-176.4	-109	0	0	0	112.7	T50 S55 F56 L57	T50-F53 HydrophobicContact CG2-CD2 4.46Å; T50-F53 WeakPolarHBondContact O-CA 3.49Å; T50-F53 WeakPolarHBondContact O-CB 3.38Å; T50-F53 PolarHBondContact O-N 3.42Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.42Å; F53-F56 HydrophobicContact CD2-CD1 4.26Å; F53-F56 HydrophobicContact CE2-CD1 4.15Å; F53-F56 PolarHBondContact O-N 3.43Å; F53-L57 HydrophobicContact CE1-CD2 4.16Å; F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.35Å
54	N	94	Very high	94.8	Very high	66 Å²	66	68.5 Å²	68.5	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-62.8	-41.4	177.5	-69	-5.6	0	0	0	111.6	L57 S58 F111	N54-L57 PolarHBondContact O-N 2.93Å; N54-S58 WeakPolarHBondContact O-CB 3.29Å; N54-S58 PolarHBondContact O-N 2.96Å; N54-F111 HydrophobicContact CB-CE1 4.41Å; N54-F111 HydrophobicContact CB-CZ 4.41Å
55	S	94.6	Very high	94.9	Very high	41 Å²	41	62.1 Å²	62.1	29%	0.287	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-39.8	177.9	-43.3	0	0	0	0	112	P52 F53 G59 I112	P52-S55 WeakPolarHBondContact CG-OG 3.47Å; P52-S55 PolarHBondContact O-N 3.11Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.42Å; S55-G59 PolarHBondContact O-N 3.34Å; S55-I112 WeakPolarHBondContact CA-O 3.42Å; S55-I112 WeakPolarHBondContact CB-O 3.48Å; S55-I112 PolarHBondContact OG-O 2.96Å
56	F	95.1	Very high	95.1	Very high	41 Å²	41	61.8 Å²	61.8	18%	0.18	34%	0.342	C	S	.	.	H	α-helix	trans	-60.5	-52.2	171.6	165.4	-105.3	0	0	0	111.1	F42 C45 P52 F53 S58 G59 F60	F42-F56 HydrophobicContact CD2-CZ 4.25Å; C45-F56 HydrophobicContact CB-CD2 3.61Å; C45-F56 HydrophobicContact CB-CE1 4.43Å; C45-F56 HydrophobicContact CB-CE2 3.4Å; C45-F56 VanDerWaalsContact CB-CE2 3.4Å; C45-F56 HydrophobicContact CB-CG 4.23Å; C45-F56 HydrophobicContact CB-CZ 3.86Å; P52-F56 PolarHBondContact O-N 2.98Å; F53-F56 HydrophobicContact CD2-CD1 4.26Å; F53-F56 HydrophobicContact CE2-CD1 4.15Å; F53-F56 PolarHBondContact O-N 3.43Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.46Å; F56-G59 PolarHBondContact O-N 2.97Å; F56-F60 HydrophobicContact CE2-CB 4.11Å; F56-F60 HydrophobicContact CE2-CD2 4.39Å; F56-F60 HydrophobicContact CE2-CG 4.4Å; F56-F60 HydrophobicContact CZ-CB 4.1Å; F56-F60 HydrophobicContact CZ-CD2 4.31Å; F56-F60 HydrophobicContact CZ-CG 4.11Å; F56-F60 VanDerWaalsContact O-CB 3.31Å; F56-F60 WeakPolarHBondContact O-CB 3.34Å; F56-F60 PolarHBondContact O-N 3.42Å
57	L	95.6	Very high	95.2	Very high	54 Å²	54	59.5 Å²	59.5	28%	0.283	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-42.3	-177.5	-174.2	65.2	0	0	0	111	F53 N54 F60 I61 F111	F53-L57 HydrophobicContact CE1-CD2 4.16Å; F53-L57 WeakPolarHBondContact O-CB 3.47Å; F53-L57 PolarHBondContact O-N 3.35Å; N54-L57 PolarHBondContact O-N 2.93Å; L57-F60 PolarHBondContact O-N 3Å; L57-I61 HydrophobicContact CD1-CD1 4.35Å; L57-I61 HydrophobicContact CD1-CG1 3.88Å; L57-I61 HydrophobicContact CG-CG1 4.18Å; L57-I61 VanDerWaalsContact O-CB 3.27Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 WeakPolarHBondContact O-CG1 3.24Å; L57-I61 PolarHBondContact O-N 3Å; L57-F111 HydrophobicContact CB-CE1 4.16Å; L57-F111 HydrophobicContact CD2-CE1 3.85Å; L57-F111 HydrophobicContact CD2-CZ 4.02Å; L57-F111 HydrophobicContact CG-CE1 4.12Å
58	S	97.1	Very high	95.3	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-58.5	-50.7	175	-178.6	0	0	0	0	111.8	N54 F56 F60 S62 V108	N54-S58 WeakPolarHBondContact O-CB 3.29Å; N54-S58 PolarHBondContact O-N 2.96Å; F56-S58 VanDerWaalsContact C-N 3.33Å; F56-S58 PolarHBondContact O-N 3.46Å; S58-F60 PolarHBondContact O-N 2.98Å; S58-S62 WeakPolarHBondContact O-CB 3.33Å; S58-S62 PolarHBondContact O-N 2.82Å; S58-V108 VanDerWaalsContact OG-CG1 3.3Å; S58-V108 WeakPolarHBondContact OG-CG1 3.32Å; S58-V108 PolarHBondContact OG-O 3.09Å
59	G	96.6	Very high	95.5	Very high	12 Å²	12	54.7 Å²	54.7	12%	0.124	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-43.7	177.7	0	0	0	0	0	112.9	Q41 S55 F56 S62 C63	Q41-G59 VanDerWaalsContact OE1-C 3.32Å; Q41-G59 PolarHBondContact OE1-O 3.44Å; Q41-G59 VanDerWaalsContact OE1-O 3.09Å; S55-G59 PolarHBondContact O-N 3.34Å; F56-G59 PolarHBondContact O-N 2.97Å; G59-S62 WeakPolarHBondContact O-CB 3.07Å; G59-S62 PolarHBondContact O-N 3.48Å; G59-C63 PolarHBondContact O-N 2.96Å; G59-C63 VanDerWaalsContact O-N 3.17Å
60	F	96.8	Very high	95.8	Very high	56 Å²	56	53.1 Å²	53.1	25%	0.246	28%	0.281	C	S	.	.	H	α-helix	trans	-68.1	-44.3	-179	-173	-104.5	0	0	0	112	F42 F56 L57 S58 S62 C63 V64	F42-F60 HydrophobicContact CB-CD2 4.41Å; F42-F60 HydrophobicContact CB-CE2 3.96Å; F42-F60 HydrophobicContact CD2-CE2 4.4Å; F56-F60 HydrophobicContact CE2-CB 4.11Å; F56-F60 HydrophobicContact CE2-CD2 4.39Å; F56-F60 HydrophobicContact CE2-CG 4.4Å; F56-F60 HydrophobicContact CZ-CB 4.1Å; F56-F60 HydrophobicContact CZ-CD2 4.31Å; F56-F60 HydrophobicContact CZ-CG 4.11Å; F56-F60 VanDerWaalsContact O-CB 3.31Å; F56-F60 WeakPolarHBondContact O-CB 3.34Å; F56-F60 PolarHBondContact O-N 3.42Å; L57-F60 PolarHBondContact O-N 3Å; S58-F60 PolarHBondContact O-N 2.98Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 3.42Å; F60-C63 WeakPolarHBondContact O-CB 3.48Å; F60-C63 PolarHBondContact O-N 3.34Å; F60-V64 HydrophobicContact CD1-CG2 4.16Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CZ-CG2 4.08Å; F60-V64 WeakPolarHBondContact O-CG2 3.38Å; F60-V64 PolarHBondContact O-N 3.24Å
61	I	96.9	Very high	96.2	Very high	81 Å²	81	51.3 Å²	51.3	42%	0.415	27%	0.27	S	S	.	.	H	α-helix	trans	-68.3	-31.2	176.4	-64.1	-60.1	0	0	0	111.4	L57 C63 V64 G65	L57-I61 HydrophobicContact CD1-CD1 4.35Å; L57-I61 HydrophobicContact CD1-CG1 3.88Å; L57-I61 HydrophobicContact CG-CG1 4.18Å; L57-I61 VanDerWaalsContact O-CB 3.27Å; L57-I61 WeakPolarHBondContact O-CB 3.38Å; L57-I61 WeakPolarHBondContact O-CG1 3.24Å; L57-I61 PolarHBondContact O-N 3Å; I61-C63 VanDerWaalsContact C-N 3.33Å; I61-C63 PolarHBondContact O-N 2.71Å; I61-V64 PolarHBondContact O-N 3.31Å; I61-G65 PolarHBondContact O-N 2.97Å
62	S	98.2	Very high	96.6	Very high	20 Å²	20	44.4 Å²	44.4	14%	0.14	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-45.6	169.6	-177.9	0	0	0	0	111.4	S58 G59 F60 S66	S58-S62 WeakPolarHBondContact O-CB 3.33Å; S58-S62 PolarHBondContact O-N 2.82Å; G59-S62 WeakPolarHBondContact O-CB 3.07Å; G59-S62 PolarHBondContact O-N 3.48Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 3.42Å; S62-S66 VanDerWaalsContact O-CB 3.24Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 3.44Å; S62-S66 PolarHBondContact O-OG 3Å
63	C	98.2	Very high	96.9	Very high	15 Å²	15	42 Å²	42	10%	0.101	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-50.5	175.3	-68	0	0	0	0	111.9	I34 Q41 G59 F60 I61 G65 S66 F67	I34-C63 HydrophobicContact CG2-CB 4.08Å; I34-C63 WeakPolarHBondContact CG2-O 3.43Å; Q41-C63 PolarHBondContact OE1-SG 3.46Å; G59-C63 PolarHBondContact O-N 2.96Å; G59-C63 VanDerWaalsContact O-N 3.17Å; F60-C63 WeakPolarHBondContact O-CB 3.48Å; F60-C63 PolarHBondContact O-N 3.34Å; I61-C63 VanDerWaalsContact C-N 3.33Å; I61-C63 PolarHBondContact O-N 2.71Å; C63-G65 PolarHBondContact O-N 2.97Å; C63-S66 PolarHBondContact O-N 2.93Å; C63-F67 WeakPolarHBondContact O-CB 3.41Å; C63-F67 PolarHBondContact O-N 3.17Å
64	V	98.2	Very high	97.2	Very high	56 Å²	56	40.5 Å²	40.5	34%	0.339	22%	0.221	S	C	.	.	H	α-helix	trans	-61.1	-46.2	-179.4	174	0	0	0	0	111.5	F60 I61 F67 I68	F60-V64 HydrophobicContact CD1-CG2 4.16Å; F60-V64 HydrophobicContact CE1-CG2 3.82Å; F60-V64 HydrophobicContact CZ-CG2 4.08Å; F60-V64 WeakPolarHBondContact O-CG2 3.38Å; F60-V64 PolarHBondContact O-N 3.24Å; I61-V64 PolarHBondContact O-N 3.31Å; V64-F67 WeakPolarHBondContact O-CB 3.24Å; V64-F67 PolarHBondContact O-N 3.4Å; V64-I68 HydrophobicContact CG1-CD1 3.89Å; V64-I68 WeakPolarHBondContact O-CG1 3.49Å; V64-I68 PolarHBondContact O-N 3.47Å
65	G	98.3	Very high	97.3	Very high	15 Å²	15	41 Å²	41	16%	0.155	22%	0.223	C	C	.	.	H	α-helix	trans	-62	-46	178.1	0	0	0	0	0	112	I61 C63 F67 I68 L69	I61-G65 PolarHBondContact O-N 2.97Å; C63-G65 PolarHBondContact O-N 2.97Å; G65-F67 VanDerWaalsContact C-N 3.29Å; G65-F67 PolarHBondContact O-N 2.8Å; G65-I68 PolarHBondContact O-N 3.39Å; G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.3Å; G65-L69 PolarHBondContact O-N 3.46Å
66	S	98.4	Very high	97.3	Very high	6 Å²	6	41.5 Å²	41.5	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-37.3	177.9	-57.9	0	0	0	0	111.9	S62 C63 A70	S62-S66 VanDerWaalsContact O-CB 3.24Å; S62-S66 WeakPolarHBondContact O-CB 3.4Å; S62-S66 PolarHBondContact O-N 3.44Å; S62-S66 PolarHBondContact O-OG 3Å; C63-S66 PolarHBondContact O-N 2.93Å; S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 3.36Å
67	F	98.4	Very high	97.3	Very high	66 Å²	66	41.5 Å²	41.5	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-63.5	-49.2	174.5	-173.3	-87.9	0	0	0	111.6	L31 I34 L35 C63 V64 G65 L69 A70 V71	L31-F67 HydrophobicContact CB-CD2 4.43Å; L31-F67 HydrophobicContact CB-CE2 4.06Å; L31-F67 HydrophobicContact CD2-CD1 4.32Å; L31-F67 HydrophobicContact CD2-CD2 3.51Å; L31-F67 HydrophobicContact CD2-CE1 4.37Å; L31-F67 HydrophobicContact CD2-CE2 3.58Å; L31-F67 HydrophobicContact CD2-CG 3.91Å; L31-F67 HydrophobicContact CD2-CZ 4.02Å; L31-F67 WeakPolarHBondContact CD2-O 3.33Å; L31-F67 HydrophobicContact CG-CE2 4.42Å; I34-F67 HydrophobicContact CG2-CB 3.95Å; L35-F67 HydrophobicContact CB-CD2 4.36Å; L35-F67 HydrophobicContact CB-CE2 4.12Å; L35-F67 HydrophobicContact CD1-CE2 4.42Å; C63-F67 WeakPolarHBondContact O-CB 3.41Å; C63-F67 PolarHBondContact O-N 3.17Å; V64-F67 WeakPolarHBondContact O-CB 3.24Å; V64-F67 PolarHBondContact O-N 3.4Å; G65-F67 VanDerWaalsContact C-N 3.29Å; G65-F67 PolarHBondContact O-N 2.8Å; F67-L69 PolarHBondContact O-N 3.28Å; F67-A70 PolarHBondContact O-N 3.38Å; F67-V71 HydrophobicContact CD1-CG2 4.02Å; F67-V71 HydrophobicContact CE1-CG2 3.69Å; F67-V71 HydrophobicContact CZ-CG2 4.2Å; F67-V71 WeakPolarHBondContact O-CG2 3.32Å; F67-V71 PolarHBondContact O-N 3.44Å
68	I	98.4	Very high	97.2	Very high	91 Å²	91	40.3 Å²	40.3	47%	0.467	22%	0.216	S	C	.	.	H	α-helix	trans	-58.9	-47.9	178.4	-68.1	167	0	0	0	110.5	V64 G65 A70 V71 C72	V64-I68 HydrophobicContact CG1-CD1 3.89Å; V64-I68 WeakPolarHBondContact O-CG1 3.49Å; V64-I68 PolarHBondContact O-N 3.47Å; G65-I68 PolarHBondContact O-N 3.39Å; I68-A70 VanDerWaalsContact C-N 3.31Å; I68-A70 PolarHBondContact O-N 3.23Å; I68-V71 PolarHBondContact O-N 3.31Å; I68-C72 PolarHBondContact O-N 3.01Å; I68-C72 PolarHBondContact O-SG 2.97Å
69	L	98.3	Very high	96.9	Very high	38 Å²	38	44.3 Å²	44.3	20%	0.199	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-40.2	179	-67.6	178.7	0	0	0	112	G65 F67 C72 L73 F97 A100 H101 L104	G65-L69 VanDerWaalsContact O-CG 3.31Å; G65-L69 WeakPolarHBondContact O-CG 3.3Å; G65-L69 PolarHBondContact O-N 3.46Å; F67-L69 PolarHBondContact O-N 3.28Å; L69-C72 PolarHBondContact O-N 3.2Å; L69-L73 PolarHBondContact O-N 2.94Å; L69-F97 HydrophobicContact CB-CD2 3.91Å; L69-F97 HydrophobicContact CB-CE2 3.8Å; L69-A100 HydrophobicContact CD1-CB 3.98Å; L69-A100 HydrophobicContact CD2-CB 3.72Å; L69-H101 HydrophobicContact CD1-CB 4.34Å; L69-L104 HydrophobicContact CD1-CD2 4.06Å
70	A	97.9	Very high	96.6	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	27%	0.272	C	S	.	.	H	α-helix	trans	-67.6	-36.8	176.9	0	0	0	0	0	112.6	Y30 L31 S66 F67 I68 L73 R74 F97	Y30-A70 HydrophobicContact CD1-CB 3.85Å; Y30-A70 HydrophobicContact CE1-CB 3.84Å; L31-A70 HydrophobicContact CD2-CB 3.58Å; L31-A70 HydrophobicContact CG-CB 4.01Å; S66-A70 WeakPolarHBondContact O-CB 3.48Å; S66-A70 PolarHBondContact O-N 3.36Å; F67-A70 PolarHBondContact O-N 3.38Å; I68-A70 VanDerWaalsContact C-N 3.31Å; I68-A70 PolarHBondContact O-N 3.23Å; A70-L73 PolarHBondContact O-N 2.98Å; A70-R74 WeakPolarHBondContact O-CB 3.33Å; A70-R74 PolarHBondContact O-N 2.94Å; A70-F97 HydrophobicContact CB-CE2 4.39Å
71	V	98.1	Very high	96.4	Very high	45 Å²	45	50.7 Å²	50.7	27%	0.273	27%	0.271	S	S	.	.	H	α-helix	trans	-64	-44.7	172	171.9	0	0	0	0	110.6	L31 F67 I68 L73 R74 I75	L31-V71 HydrophobicContact CD1-CG2 4.15Å; L31-V71 HydrophobicContact CD2-CG2 3.61Å; F67-V71 HydrophobicContact CD1-CG2 4.02Å; F67-V71 HydrophobicContact CE1-CG2 3.69Å; F67-V71 HydrophobicContact CZ-CG2 4.2Å; F67-V71 WeakPolarHBondContact O-CG2 3.32Å; F67-V71 PolarHBondContact O-N 3.44Å; I68-V71 PolarHBondContact O-N 3.31Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 2.96Å; V71-R74 WeakPolarHBondContact O-CB 3.32Å; V71-R74 PolarHBondContact O-N 3.26Å; V71-I75 HydrophobicContact CG1-CD1 3.79Å; V71-I75 HydrophobicContact CG1-CG1 4.42Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.1Å
72	C	97.1	Very high	95.9	Very high	55 Å²	55	54.4 Å²	54.4	37%	0.372	28%	0.284	S	S	.	.	H	α-helix	trans	-59.3	-46	176	-68.1	0	0	0	0	111.5	I68 L69 R74 I75 Q76	I68-C72 PolarHBondContact O-N 3.01Å; I68-C72 PolarHBondContact O-SG 2.97Å; L69-C72 PolarHBondContact O-N 3.2Å; C72-R74 PolarHBondContact O-N 2.79Å; C72-I75 PolarHBondContact O-N 3.01Å; C72-Q76 WeakPolarHBondContact O-CG 3.41Å; C72-Q76 PolarHBondContact O-N 2.91Å; C72-Q76 VanDerWaalsContact O-N 3.07Å
73	L	97.1	Very high	95.5	Very high	14 Å²	14	56 Å²	56	7%	0.073	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-48.6	174.9	178.9	65.8	0	0	0	110.8	L69 A70 V71 I75 Q76 I77 A93 F94 F97	L69-L73 PolarHBondContact O-N 2.94Å; A70-L73 PolarHBondContact O-N 2.98Å; V71-L73 VanDerWaalsContact C-N 3.35Å; V71-L73 PolarHBondContact O-N 2.96Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 3.46Å; L73-Q76 PolarHBondContact O-N 3.22Å; L73-I77 HydrophobicContact CD1-CG2 3.76Å; L73-I77 HydrophobicContact CG-CD1 4.36Å; L73-I77 HydrophobicContact CG-CG2 4.35Å; L73-I77 WeakPolarHBondContact O-CG1 3.46Å; L73-I77 WeakPolarHBondContact O-CG2 3.47Å; L73-I77 PolarHBondContact O-N 3.05Å; L73-A93 HydrophobicContact CD1-CB 4.16Å; L73-F94 HydrophobicContact CD2-CD2 4.28Å; L73-F97 HydrophobicContact CB-CB 4.42Å; L73-F97 HydrophobicContact CB-CD2 3.97Å; L73-F97 HydrophobicContact CB-CG 4.3Å; L73-F97 HydrophobicContact CD1-CB 4.11Å; L73-F97 HydrophobicContact CD2-CB 4.32Å; L73-F97 HydrophobicContact CD2-CD1 4.01Å; L73-F97 HydrophobicContact CD2-CD2 4.09Å; L73-F97 HydrophobicContact CD2-CE1 4.37Å; L73-F97 HydrophobicContact CD2-CE2 4.44Å; L73-F97 HydrophobicContact CD2-CG 3.87Å; L73-F97 HydrophobicContact CG-CG 4.46Å
74	R	97.3	Very high	95.1	Very high	76 Å²	76	61.3 Å²	61.3	29%	0.287	33%	0.331	S	S	.	.	H	α-helix	trans	-54.4	-46.1	178.1	-175	-163.9	172.3	134	13.3	111.8	L24 V27 D28 A70 V71 C72 N78	L24-R74 HydrophobicContact CD2-CG 4.1Å; V27-R74 HydrophobicContact CG1-CB 4Å; D28-R74 VanDerWaalsContact CG-CZ 3.47Å; D28-R74 IonicContact OD1-CZ 3.04Å; D28-R74 IonicContact OD1-NE 3.52Å; D28-R74 IonicContact OD1-NH1 2.58Å; D28-R74 PolarHBondContact OD1-NH1 3.36Å; D28-R74 IonicContact OD1-NH2 3.67Å; D28-R74 IonicContact OD2-CZ 3.17Å; D28-R74 IonicContact OD2-NH1 2.85Å; D28-R74 PolarHBondContact OD2-NH1 2.92Å; D28-R74 IonicContact OD2-NH2 3Å; D28-R74 PolarHBondContact OD2-NH2 2.58Å; A70-R74 WeakPolarHBondContact O-CB 3.33Å; A70-R74 PolarHBondContact O-N 2.94Å; V71-R74 WeakPolarHBondContact O-CB 3.32Å; V71-R74 PolarHBondContact O-N 3.26Å; C72-R74 PolarHBondContact O-N 2.79Å; R74-N78 WeakPolarHBondContact O-CB 3.47Å; R74-N78 PolarHBondContact O-N 3.49Å; R74-N78 VanDerWaalsContact O-N 3.17Å
75	I	96.1	Very high	94.7	Very high	75 Å²	75	61.2 Å²	61.2	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-63.9	-43	-179	-70.5	167.7	0	0	0	110.7	V71 C72 L73 N81 F85	V71-I75 HydrophobicContact CG1-CD1 3.79Å; V71-I75 HydrophobicContact CG1-CG1 4.42Å; V71-I75 WeakPolarHBondContact O-CG1 3.31Å; V71-I75 PolarHBondContact O-N 3.1Å; C72-I75 PolarHBondContact O-N 3.01Å; L73-I75 VanDerWaalsContact C-N 3.3Å; L73-I75 PolarHBondContact O-N 3.46Å; I75-N81 PolarHBondContact O-ND2 3.27Å; I75-F85 HydrophobicContact CG2-CE2 3.76Å; I75-F85 HydrophobicContact CG2-CZ 3.85Å
76	Q	95.4	Very high	93.7	Very high	53 Å²	53	67.9 Å²	67.9	25%	0.248	36%	0.357	C	S	.	.	H	α-helix	trans	-72.4	-34.6	-177.8	-69.4	175.6	15	0	0	113.1	C72 L73 F85 A93	C72-Q76 WeakPolarHBondContact O-CG 3.41Å; C72-Q76 PolarHBondContact O-N 2.91Å; C72-Q76 VanDerWaalsContact O-N 3.07Å; L73-Q76 PolarHBondContact O-N 3.22Å; Q76-F85 HydrophobicContact CG-CD1 4.43Å; Q76-F85 HydrophobicContact CG-CE1 4.23Å; Q76-F85 HydrophobicContact CG-CZ 4.31Å; Q76-A93 HydrophobicContact CB-CB 3.92Å; Q76-A93 VanDerWaalsContact OE1-CB 3.22Å
77	I	94.5	Very high	93.1	Very high	40 Å²	40	72.1 Å²	72.1	21%	0.205	39%	0.387	C	S	.	.	H	α-helix	trans	-88.2	-6.1	-179.6	72.8	-179.5	0	0	0	113.6	L24 V27 L73 P79 P90 A93	L24-I77 HydrophobicContact CG-CG1 4.49Å; V27-I77 HydrophobicContact CG2-CD1 4.11Å; L73-I77 HydrophobicContact CD1-CG2 3.76Å; L73-I77 HydrophobicContact CG-CD1 4.36Å; L73-I77 HydrophobicContact CG-CG2 4.35Å; L73-I77 WeakPolarHBondContact O-CG1 3.46Å; L73-I77 WeakPolarHBondContact O-CG2 3.47Å; L73-I77 PolarHBondContact O-N 3.05Å; I77-P79 WeakPolarHBondContact O-CD 3.45Å; I77-P90 HydrophobicContact CG2-CB 4.5Å; I77-A93 HydrophobicContact CG2-CB 4.14Å
78	N	94.6	Very high	92.7	Very high	29 Å²	29	71 Å²	71	16%	0.155	38%	0.383	C	S	.	.			trans	-69.1	119.7	177.3	-175.3	-1.5	0	0	0	110	L24 R74 Q80 N81	L24-N78 HydrophobicContact CD2-CB 4.06Å; R74-N78 WeakPolarHBondContact O-CB 3.47Å; R74-N78 PolarHBondContact O-N 3.49Å; R74-N78 VanDerWaalsContact O-N 3.17Å; N78-Q80 PolarHBondContact ND2-OE1 2.99Å; N78-Q80 PolarHBondContact O-N 3.02Å; N78-Q80 VanDerWaalsContact O-N 3.08Å; N78-Q80 PolarHBondContact OD1-N 3.27Å; N78-Q80 VanDerWaalsContact OD1-N 3.16Å; N78-N81 PolarHBondContact O-N 3.42Å
79	P	90.3	Very high	92.5	Very high	86 Å²	86	69 Å²	69	56%	0.558	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-56.6	-28.2	179.5	-25.8	35.2	0	0	0	114.3	I77 N81 K82	I77-P79 WeakPolarHBondContact O-CD 3.45Å; P79-N81 PolarHBondContact O-N 2.94Å; P79-K82 WeakPolarHBondContact O-CB 3.35Å; P79-K82 PolarHBondContact O-N 3.49Å
80	Q	90.8	Very high	92.2	Very high	163 Å²	163	70.7 Å²	70.7	76%	0.762	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-65.3	-28.9	177.9	-65.4	174.6	-29.9	0	0	112.6	N78	N78-Q80 PolarHBondContact ND2-OE1 2.99Å; N78-Q80 PolarHBondContact O-N 3.02Å; N78-Q80 VanDerWaalsContact O-N 3.08Å; N78-Q80 PolarHBondContact OD1-N 3.27Å; N78-Q80 VanDerWaalsContact OD1-N 3.16Å
81	N	91.8	Very high	92	Very high	40 Å²	40	77 Å²	77	21%	0.214	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-94.4	6.4	-177.5	-59.4	-13.1	0	0	0	112.6	I75 N78 P79 G83 D84 F85	I75-N81 PolarHBondContact O-ND2 3.27Å; N78-N81 PolarHBondContact O-N 3.42Å; P79-N81 PolarHBondContact O-N 2.94Å; N81-G83 PolarHBondContact O-N 3.12Å; N81-G83 VanDerWaalsContact O-N 3.11Å; N81-D84 PolarHBondContact O-N 3.33Å; N81-F85 HydrophobicContact CB-CD2 4.01Å; N81-F85 HydrophobicContact CB-CE2 3.97Å; N81-F85 WeakPolarHBondContact O-CD2 3.32Å; N81-F85 PolarHBondContact O-N 3.2Å
82	K	87.5	Confident	91.9	Very high	158 Å²	158	80.8 Å²	80.8	69%	0.687	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.6	-176.1	-170.3	177.7	-179.6	-176.6	0	112.9	P79 D84 F85	P79-K82 WeakPolarHBondContact O-CB 3.35Å; P79-K82 PolarHBondContact O-N 3.49Å; K82-D84 VanDerWaalsContact C-N 3.29Å; K82-D84 PolarHBondContact O-N 2.92Å; K82-F85 CarbonylContact O-C 3.6Å; K82-F85 PolarHBondContact O-N 3.39Å
83	G	88.3	Confident	91.9	Very high	53 Å²	53	78.2 Å²	78.2	55%	0.546	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.7	175.6	0	0	0	0	0	114.1	N81 L86	N81-G83 PolarHBondContact O-N 3.12Å; N81-G83 VanDerWaalsContact O-N 3.11Å; G83-L86 WeakPolarHBondContact O-CG 3.49Å
84	D	90.4	Very high	91.8	Very high	127 Å²	127	82.6 Å²	82.6	68%	0.679	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-20.7	-179.8	-56.4	-39.2	0	0	0	112	N81 K82	N81-D84 PolarHBondContact O-N 3.33Å; K82-D84 VanDerWaalsContact C-N 3.29Å; K82-D84 PolarHBondContact O-N 2.92Å
85	F	89.3	Confident	91.8	Very high	55 Å²	55	81.5 Å²	81.5	24%	0.241	44%	0.438	C	S	.	.			trans	-121.1	45.8	-174.3	-58.8	-69.2	0	0	0	112.8	I75 Q76 N81 K82 S87 I88	I75-F85 HydrophobicContact CG2-CE2 3.76Å; I75-F85 HydrophobicContact CG2-CZ 3.85Å; Q76-F85 HydrophobicContact CG-CD1 4.43Å; Q76-F85 HydrophobicContact CG-CE1 4.23Å; Q76-F85 HydrophobicContact CG-CZ 4.31Å; N81-F85 HydrophobicContact CB-CD2 4.01Å; N81-F85 HydrophobicContact CB-CE2 3.97Å; N81-F85 WeakPolarHBondContact O-CD2 3.32Å; N81-F85 PolarHBondContact O-N 3.2Å; K82-F85 CarbonylContact O-C 3.6Å; K82-F85 PolarHBondContact O-N 3.39Å; F85-S87 PolarHBondContact O-N 3.09Å; F85-I88 HydrophobicContact CB-CB 4.21Å; F85-I88 HydrophobicContact CB-CD1 4.48Å; F85-I88 HydrophobicContact CB-CG1 4.47Å; F85-I88 HydrophobicContact CD1-CD1 3.85Å; F85-I88 PolarHBondContact O-N 3.39Å
86	L	78.8	Confident	91.9	Very high	154 Å²	154	81.5 Å²	81.5	81%	0.806	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.8	-174	-66.9	168	0	0	0	115	G83	G83-L86 WeakPolarHBondContact O-CG 3.49Å
87	S	84.8	Confident	92	Very high	95 Å²	95	80.2 Å²	80.2	66%	0.664	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	2.8	-178.6	64.1	0	0	0	0	114.4	F85 R92	F85-S87 PolarHBondContact O-N 3.09Å; S87-R92 PolarHBondContact O-NH1 2.94Å
88	I	90.7	Very high	92.2	Very high	42 Å²	42	82.3 Å²	82.3	22%	0.215	44%	0.444	C	S	.	.			trans	-113.1	108.8	-177.4	-51.5	-175.8	0	0	0	108.6	F85 R92 A93	F85-I88 HydrophobicContact CB-CB 4.21Å; F85-I88 HydrophobicContact CB-CD1 4.48Å; F85-I88 HydrophobicContact CB-CG1 4.47Å; F85-I88 HydrophobicContact CD1-CD1 3.85Å; F85-I88 PolarHBondContact O-N 3.39Å; I88-R92 HydrophobicContact CG2-CB 4.48Å; I88-A93 HydrophobicContact CG2-CB 3.89Å
89	S	92.9	Very high	92.4	Very high	51 Å²	51	88.1 Å²	88.1	36%	0.357	47%	0.468	S	S	.	.			trans	-77.5	156.5	170.2	86.5	0	0	0	0	110.4	E91 R92 A93	S89-E91 WeakPolarHBondContact CB-OE2 3.34Å; S89-E91 PolarHBondContact O-N 2.89Å; S89-E91 PolarHBondContact OG-N 3.48Å; S89-E91 PolarHBondContact OG-OE2 3.19Å; S89-R92 WeakPolarHBondContact O-CB 3.28Å; S89-R92 PolarHBondContact O-N 3.46Å; S89-R92 VanDerWaalsContact O-N 3.09Å; S89-R92 PolarHBondContact OG-N 2.69Å; S89-A93 PolarHBondContact O-N 2.83Å
90	P	92.3	Very high	92.7	Very high	73 Å²	73	85.6 Å²	85.6	47%	0.474	45%	0.454	S	S	.	.	H	α-helix	trans	-56	-34.3	174.8	-26	35.6	0	0	0	113.5	I77 F94	I77-P90 HydrophobicContact CG2-CB 4.5Å; P90-F94 WeakPolarHBondContact O-CB 3.37Å; P90-F94 PolarHBondContact O-N 3.39Å
91	E	94.8	Very high	93.1	Very high	134 Å²	134	79.8 Å²	79.8	63%	0.626	43%	0.427	S	S	*	.	H	α-helix	trans	-68.1	-40.9	177.5	-55.9	71.1	-151.4	0	0	111.1	S89 F94 A95	S89-E91 WeakPolarHBondContact CB-OE2 3.34Å; S89-E91 PolarHBondContact O-N 2.89Å; S89-E91 PolarHBondContact OG-N 3.48Å; S89-E91 PolarHBondContact OG-OE2 3.19Å; E91-F94 PolarHBondContact O-N 2.94Å; E91-A95 WeakPolarHBondContact O-CB 3.34Å; E91-A95 PolarHBondContact O-N 3.46Å
92	R	95.7	Very high	93.4	Very high	123 Å²	123	82.5 Å²	82.5	46%	0.464	45%	0.445	S	S	.	.	H	α-helix	trans	-65.5	-47.8	174.4	-178	179.5	177.6	-170.1	3.1	111.5	S87 I88 S89 F94 A95 D96	S87-R92 PolarHBondContact O-NH1 2.94Å; I88-R92 HydrophobicContact CG2-CB 4.48Å; S89-R92 WeakPolarHBondContact O-CB 3.28Å; S89-R92 PolarHBondContact O-N 3.46Å; S89-R92 VanDerWaalsContact O-N 3.09Å; S89-R92 PolarHBondContact OG-N 2.69Å; R92-F94 PolarHBondContact O-N 3.5Å; R92-A95 PolarHBondContact O-N 3.41Å; R92-A95 VanDerWaalsContact O-N 3.09Å; R92-D96 IonicContact NE-OD2 3.98Å; R92-D96 PolarHBondContact O-N 3.26Å
93	A	96	Very high	93.9	Very high	1 Å²	1	78.2 Å²	78.2	1%	0.008	43%	0.432	C	S	.	.	H	α-helix	trans	-55.7	-41	176.3	0	0	0	0	0	111.6	L73 Q76 I77 I88 S89 F97	L73-A93 HydrophobicContact CD1-CB 4.16Å; Q76-A93 HydrophobicContact CB-CB 3.92Å; Q76-A93 VanDerWaalsContact OE1-CB 3.22Å; I77-A93 HydrophobicContact CG2-CB 4.14Å; I88-A93 HydrophobicContact CG2-CB 3.89Å; S89-A93 PolarHBondContact O-N 2.83Å; A93-F97 WeakPolarHBondContact O-CB 3.44Å; A93-F97 PolarHBondContact O-N 3.18Å
94	F	95.9	Very high	94.4	Very high	106 Å²	106	77.2 Å²	77.2	47%	0.465	41%	0.414	S	S	.	.	H	α-helix	trans	-68.9	-40	176.5	-171.6	-110.7	0	0	0	112.9	L73 P90 E91 R92 F97 L98	L73-F94 HydrophobicContact CD2-CD2 4.28Å; P90-F94 WeakPolarHBondContact O-CB 3.37Å; P90-F94 PolarHBondContact O-N 3.39Å; E91-F94 PolarHBondContact O-N 2.94Å; R92-F94 PolarHBondContact O-N 3.5Å; F94-F97 HydrophobicContact CD2-CD1 4.44Å; F94-F97 HydrophobicContact CE2-CD1 4.4Å; F94-F97 WeakPolarHBondContact O-CB 3.43Å; F94-F97 PolarHBondContact O-N 3.17Å; F94-L98 HydrophobicContact CD1-CD1 4.01Å; F94-L98 HydrophobicContact CD1-CG 4.42Å; F94-L98 HydrophobicContact CE1-CD1 3.6Å; F94-L98 HydrophobicContact CE1-CD2 4.49Å; F94-L98 HydrophobicContact CE1-CG 4.1Å; F94-L98 HydrophobicContact CZ-CD1 4.11Å; F94-L98 HydrophobicContact CZ-CD2 4.17Å; F94-L98 HydrophobicContact CZ-CG 4.2Å; F94-L98 WeakPolarHBondContact O-CG 3.17Å; F94-L98 PolarHBondContact O-N 3.49Å
95	A	97.6	Very high	94.7	Very high	53 Å²	53	74.3 Å²	74.3	44%	0.438	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-44.6	174.8	0	0	0	0	0	112	E91 R92 F97 L98 F99	E91-A95 WeakPolarHBondContact O-CB 3.34Å; E91-A95 PolarHBondContact O-N 3.46Å; R92-A95 PolarHBondContact O-N 3.41Å; R92-A95 VanDerWaalsContact O-N 3.09Å; A95-F97 VanDerWaalsContact C-N 3.31Å; A95-F97 PolarHBondContact O-N 3.02Å; A95-L98 PolarHBondContact O-N 3.47Å; A95-F99 PolarHBondContact O-N 3.42Å
96	D	97.6	Very high	95.1	Very high	75 Å²	75	77.9 Å²	77.9	40%	0.401	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-40.4	176.5	-67.9	-18.8	0	0	0	110.8	R92 F99 A100	R92-D96 IonicContact NE-OD2 3.98Å; R92-D96 PolarHBondContact O-N 3.26Å; D96-F99 PolarHBondContact O-N 3.16Å; D96-A100 WeakPolarHBondContact O-CB 3.27Å; D96-A100 PolarHBondContact O-N 2.85Å
97	F	97.7	Very high	96	Very high	27 Å²	27	74.7 Å²	74.7	12%	0.118	40%	0.404	C	S	.	.	H	α-helix	trans	-59.7	-49.8	173.2	171.6	-97.9	0	0	0	112.2	Y30 L69 A70 L73 A93 F94 A95 F99 A100 H101	Y30-F97 HydrophobicContact CE1-CZ 4.27Å; L69-F97 HydrophobicContact CB-CD2 3.91Å; L69-F97 HydrophobicContact CB-CE2 3.8Å; A70-F97 HydrophobicContact CB-CE2 4.39Å; L73-F97 HydrophobicContact CB-CB 4.42Å; L73-F97 HydrophobicContact CB-CD2 3.97Å; L73-F97 HydrophobicContact CB-CG 4.3Å; L73-F97 HydrophobicContact CD1-CB 4.11Å; L73-F97 HydrophobicContact CD2-CB 4.32Å; L73-F97 HydrophobicContact CD2-CD1 4.01Å; L73-F97 HydrophobicContact CD2-CD2 4.09Å; L73-F97 HydrophobicContact CD2-CE1 4.37Å; L73-F97 HydrophobicContact CD2-CE2 4.44Å; L73-F97 HydrophobicContact CD2-CG 3.87Å; L73-F97 HydrophobicContact CG-CG 4.46Å; A93-F97 WeakPolarHBondContact O-CB 3.44Å; A93-F97 PolarHBondContact O-N 3.18Å; F94-F97 HydrophobicContact CD2-CD1 4.44Å; F94-F97 HydrophobicContact CE2-CD1 4.4Å; F94-F97 WeakPolarHBondContact O-CB 3.43Å; F94-F97 PolarHBondContact O-N 3.17Å; A95-F97 VanDerWaalsContact C-N 3.31Å; A95-F97 PolarHBondContact O-N 3.02Å; F97-F99 VanDerWaalsContact C-N 3.35Å; F97-F99 PolarHBondContact O-N 2.78Å; F97-A100 PolarHBondContact O-N 2.79Å; F97-H101 AromaticContact CZ-CD2 3.95Å; F97-H101 WeakPolarHBondContact O-CB 3.38Å; F97-H101 PolarHBondContact O-N 3.45Å
98	L	98.1	Very high	96.7	Very high	84 Å²	84	70.8 Å²	70.8	44%	0.44	38%	0.376	S	S	.	.	H	α-helix	trans	-62.2	-41.8	179.3	-71.1	177.7	0	0	0	112.3	F94 A95 H101 T102	F94-L98 HydrophobicContact CD1-CD1 4.01Å; F94-L98 HydrophobicContact CD1-CG 4.42Å; F94-L98 HydrophobicContact CE1-CD1 3.6Å; F94-L98 HydrophobicContact CE1-CD2 4.49Å; F94-L98 HydrophobicContact CE1-CG 4.1Å; F94-L98 HydrophobicContact CZ-CD1 4.11Å; F94-L98 HydrophobicContact CZ-CD2 4.17Å; F94-L98 HydrophobicContact CZ-CG 4.2Å; F94-L98 WeakPolarHBondContact O-CG 3.17Å; F94-L98 PolarHBondContact O-N 3.49Å; A95-L98 PolarHBondContact O-N 3.47Å; L98-H101 PolarHBondContact O-N 2.95Å; L98-T102 WeakPolarHBondContact O-CB 3.46Å; L98-T102 PolarHBondContact O-N 3.38Å; L98-T102 PolarHBondContact O-OG1 2.84Å
99	F	98.4	Very high	96.9	Very high	150 Å²	150	75 Å²	75	66%	0.658	40%	0.397	S	S	*	.	H	α-helix	trans	-62.1	-52.4	177.3	177	-102	0	0	0	111.1	A95 D96 F97 H101 T102 V103	A95-F99 PolarHBondContact O-N 3.42Å; D96-F99 PolarHBondContact O-N 3.16Å; F97-F99 VanDerWaalsContact C-N 3.35Å; F97-F99 PolarHBondContact O-N 2.78Å; F99-H101 VanDerWaalsContact C-N 3.29Å; F99-H101 PolarHBondContact O-N 2.92Å; F99-T102 WeakPolarHBondContact O-CB 3.34Å; F99-T102 PolarHBondContact O-N 2.62Å; F99-V103 HydrophobicContact CE1-CG2 4.23Å; F99-V103 HydrophobicContact CE2-CG2 4.37Å; F99-V103 HydrophobicContact CZ-CG2 4.08Å; F99-V103 WeakPolarHBondContact O-CG2 3.18Å; F99-V103 PolarHBondContact O-N 3.45Å
100	A	98.3	Very high	97.1	Very high	33 Å²	33	79.5 Å²	79.5	27%	0.273	42%	0.416	S	S	.	.	H	α-helix	trans	-60.7	-39.1	178.4	0	0	0	0	0	112.1	L69 D96 F97 T102 V103 L104	L69-A100 HydrophobicContact CD1-CB 3.98Å; L69-A100 HydrophobicContact CD2-CB 3.72Å; D96-A100 WeakPolarHBondContact O-CB 3.27Å; D96-A100 PolarHBondContact O-N 2.85Å; F97-A100 PolarHBondContact O-N 2.79Å; A100-T102 VanDerWaalsContact C-N 3.35Å; A100-T102 PolarHBondContact O-N 3.24Å; A100-V103 PolarHBondContact O-N 3.27Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 PolarHBondContact O-N 3.38Å
101	H	97.8	Very high	97.2	Very high	41 Å²	41	80.2 Å²	80.2	19%	0.19	41%	0.412	C	S	.	.	H	α-helix	trans	-65.5	-38.1	177.7	-162	-85.2	0	0	0	112.1	Y30 L69 F97 L98 F99 L104 H105	Y30-H101 PolarHBondContact OH-NE2 3Å; L69-H101 HydrophobicContact CD1-CB 4.34Å; F97-H101 AromaticContact CZ-CD2 3.95Å; F97-H101 WeakPolarHBondContact O-CB 3.38Å; F97-H101 PolarHBondContact O-N 3.45Å; L98-H101 PolarHBondContact O-N 2.95Å; F99-H101 VanDerWaalsContact C-N 3.29Å; F99-H101 PolarHBondContact O-N 2.92Å; H101-L104 PolarHBondContact O-N 3.07Å; H101-H105 AromaticContact CE1-CE1 2.91Å; H101-H105 PolarHBondContact CE1-CE1 3.33Å; H101-H105 AromaticContact CE1-ND1 3.35Å; H101-H105 PolarHBondContact CE1-ND1 2.93Å; H101-H105 AromaticContact CE1-NE2 3.68Å; H101-H105 AromaticContact CG-ND1 3.89Å; H101-H105 AromaticContact ND1-CE1 3.32Å; H101-H105 PolarHBondContact ND1-CE1 3.25Å; H101-H105 VanDerWaalsContact ND1-CE1 3.32Å; H101-H105 AromaticContact ND1-ND1 3.21Å; H101-H105 PolarHBondContact ND1-ND1 3.2Å; H101-H105 AromaticContact NE2-CE1 3.4Å; H101-H105 PolarHBondContact NE2-CE1 3.43Å; H101-H105 PolarHBondContact O-N 3.45Å; H101-H105 PolarHBondContact O-ND1 3.03Å
102	T	98.4	Very high	97.1	Very high	98 Å²	98	77.2 Å²	77.2	60%	0.601	40%	0.4	S	S	*	.	H	α-helix	trans	-64.6	-46.1	175.7	-58	0	0	0	0	111	L98 F99 A100 H105 L106	L98-T102 WeakPolarHBondContact O-CB 3.46Å; L98-T102 PolarHBondContact O-N 3.38Å; L98-T102 PolarHBondContact O-OG1 2.84Å; F99-T102 WeakPolarHBondContact O-CB 3.34Å; F99-T102 PolarHBondContact O-N 2.62Å; A100-T102 VanDerWaalsContact C-N 3.35Å; A100-T102 PolarHBondContact O-N 3.24Å; T102-H105 PolarHBondContact O-N 2.91Å; T102-L106 WeakPolarHBondContact O-CB 3.38Å; T102-L106 PolarHBondContact O-N 3.47Å
103	V	98.4	Very high	96.6	Very high	68 Å²	68	75.9 Å²	75.9	41%	0.412	43%	0.425	S	S	.	.	H	α-helix	trans	-61.9	-44.8	176.5	175.2	0	0	0	0	110.9	F99 A100 H105 L106 V107	F99-V103 HydrophobicContact CE1-CG2 4.23Å; F99-V103 HydrophobicContact CE2-CG2 4.37Å; F99-V103 HydrophobicContact CZ-CG2 4.08Å; F99-V103 WeakPolarHBondContact O-CG2 3.18Å; F99-V103 PolarHBondContact O-N 3.45Å; A100-V103 PolarHBondContact O-N 3.27Å; V103-H105 PolarHBondContact O-N 3.37Å; V103-L106 PolarHBondContact O-N 2.86Å; V103-V107 WeakPolarHBondContact O-CG2 3.38Å; V103-V107 PolarHBondContact O-N 2.82Å; V103-V107 VanDerWaalsContact O-N 3.1Å
104	L	98.1	Very high	96.6	Very high	32 Å²	32	79.7 Å²	79.7	17%	0.168	45%	0.446	C	S	.	.	H	α-helix	trans	-55.6	-50	175.9	174.4	64.1	0	0	0	111.3	L69 A100 H101 L106 V107 V108	L69-L104 HydrophobicContact CD1-CD2 4.06Å; A100-L104 WeakPolarHBondContact O-CB 3.34Å; A100-L104 PolarHBondContact O-N 3.38Å; H101-L104 PolarHBondContact O-N 3.07Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L104-L106 PolarHBondContact O-N 2.84Å; L104-V107 PolarHBondContact O-N 3.36Å; L104-V108 HydrophobicContact CD1-CG2 4.12Å; L104-V108 HydrophobicContact CG-CG2 4.39Å; L104-V108 WeakPolarHBondContact O-CB 3.31Å; L104-V108 VanDerWaalsContact O-CG2 3.24Å; L104-V108 WeakPolarHBondContact O-CG2 3.31Å; L104-V108 PolarHBondContact O-N 3.41Å
105	H	97.6	Very high	96.6	Very high	66 Å²	66	78.3 Å²	78.3	31%	0.306	45%	0.445	S	S	.	.	H	α-helix	trans	-68.5	-33.2	-177.5	-76.6	71.8	0	0	0	112.6	H101 T102 V103 V108 M109	H101-H105 AromaticContact CE1-CE1 2.91Å; H101-H105 PolarHBondContact CE1-CE1 3.33Å; H101-H105 AromaticContact CE1-ND1 3.35Å; H101-H105 PolarHBondContact CE1-ND1 2.93Å; H101-H105 AromaticContact CE1-NE2 3.68Å; H101-H105 AromaticContact CG-ND1 3.89Å; H101-H105 AromaticContact ND1-CE1 3.32Å; H101-H105 PolarHBondContact ND1-CE1 3.25Å; H101-H105 VanDerWaalsContact ND1-CE1 3.32Å; H101-H105 AromaticContact ND1-ND1 3.21Å; H101-H105 PolarHBondContact ND1-ND1 3.2Å; H101-H105 AromaticContact NE2-CE1 3.4Å; H101-H105 PolarHBondContact NE2-CE1 3.43Å; H101-H105 PolarHBondContact O-N 3.45Å; H101-H105 PolarHBondContact O-ND1 3.03Å; T102-H105 PolarHBondContact O-N 2.91Å; V103-H105 PolarHBondContact O-N 3.37Å; H105-V108 PolarHBondContact O-N 2.89Å; H105-M109 WeakPolarHBondContact O-CB 3.3Å; H105-M109 VanDerWaalsContact O-CG 3.23Å; H105-M109 WeakPolarHBondContact O-CG 3.4Å; H105-M109 PolarHBondContact O-N 3.42Å
106	L	98.2	Very high	96.6	Very high	129 Å²	129	79.7 Å²	79.7	68%	0.675	45%	0.445	S	S	*	.	H	α-helix	trans	-60.5	-46.2	172.7	-176.9	68.2	0	0	0	111.4	T102 V103 L104 N110	T102-L106 WeakPolarHBondContact O-CB 3.38Å; T102-L106 PolarHBondContact O-N 3.47Å; V103-L106 PolarHBondContact O-N 2.86Å; L104-L106 VanDerWaalsContact C-N 3.34Å; L104-L106 PolarHBondContact O-N 2.84Å; L106-N110 WeakPolarHBondContact O-CB 3.44Å; L106-N110 PolarHBondContact O-N 3.2Å
107	V	97.6	Very high	96.5	Very high	87 Å²	87	79.9 Å²	79.9	53%	0.527	45%	0.448	S	S	.	.	H	α-helix	trans	-66.9	-43.7	179	175.7	0	0	0	0	111.3	V103 L104 M109 N110 F111	V103-V107 WeakPolarHBondContact O-CG2 3.38Å; V103-V107 PolarHBondContact O-N 2.82Å; V103-V107 VanDerWaalsContact O-N 3.1Å; L104-V107 PolarHBondContact O-N 3.36Å; V107-M109 PolarHBondContact O-N 3.38Å; V107-N110 PolarHBondContact O-N 3.44Å; V107-F111 WeakPolarHBondContact O-CB 3Å; V107-F111 PolarHBondContact O-N 3.09Å
108	V	97.7	Very high	96.5	Very high	14 Å²	14	83.3 Å²	83.3	9%	0.085	47%	0.468	C	S	.	.	H	α-helix	trans	-57.1	-49.5	176.4	164.6	0	0	0	0	110.8	S58 L104 H105 N110 F111 I112	S58-V108 VanDerWaalsContact OG-CG1 3.3Å; S58-V108 WeakPolarHBondContact OG-CG1 3.32Å; S58-V108 PolarHBondContact OG-O 3.09Å; L104-V108 HydrophobicContact CD1-CG2 4.12Å; L104-V108 HydrophobicContact CG-CG2 4.39Å; L104-V108 WeakPolarHBondContact O-CB 3.31Å; L104-V108 VanDerWaalsContact O-CG2 3.24Å; L104-V108 WeakPolarHBondContact O-CG2 3.31Å; L104-V108 PolarHBondContact O-N 3.41Å; H105-V108 PolarHBondContact O-N 2.89Å; V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 2.88Å; V108-F111 PolarHBondContact O-N 3.19Å; V108-F111 VanDerWaalsContact O-N 3.17Å; V108-I112 PolarHBondContact O-N 3.02Å
109	M	96.8	Very high	96.3	Very high	131 Å²	131	83.2 Å²	83.2	65%	0.645	47%	0.47	S	S	*	.	H	α-helix	trans	-66.2	-32	179.7	-69.6	-57.4	-62	0	0	112.7	H105 V107 I112	H105-M109 WeakPolarHBondContact O-CB 3.3Å; H105-M109 VanDerWaalsContact O-CG 3.23Å; H105-M109 WeakPolarHBondContact O-CG 3.4Å; H105-M109 PolarHBondContact O-N 3.42Å; V107-M109 PolarHBondContact O-N 3.38Å; M109-I112 WeakPolarHBondContact O-CG2 3.36Å
110	N	95.5	Very high	96.2	Very high	144 Å²	144	78.4 Å²	78.4	77%	0.77	46%	0.457	S	S	*	.	H	α-helix	trans	-71.6	-31.1	174.6	-176.7	-111.2	0	0	0	112.7	L106 V107 V108	L106-N110 WeakPolarHBondContact O-CB 3.44Å; L106-N110 PolarHBondContact O-N 3.2Å; V107-N110 PolarHBondContact O-N 3.44Å; V108-N110 VanDerWaalsContact C-N 3.3Å; V108-N110 PolarHBondContact O-N 2.88Å
111	F	94.7	Very high	96	Very high	88 Å²	88	81.9 Å²	81.9	39%	0.386	47%	0.471	S	S	.	.	H	α-helix	trans	-94.5	-14.2	-174.4	-174.7	-106	0	0	0	114.7	N54 L57 V107 V108 G113	N54-F111 HydrophobicContact CB-CE1 4.41Å; N54-F111 HydrophobicContact CB-CZ 4.41Å; L57-F111 HydrophobicContact CB-CE1 4.16Å; L57-F111 HydrophobicContact CD2-CE1 3.85Å; L57-F111 HydrophobicContact CD2-CZ 4.02Å; L57-F111 HydrophobicContact CG-CE1 4.12Å; V107-F111 WeakPolarHBondContact O-CB 3Å; V107-F111 PolarHBondContact O-N 3.09Å; V108-F111 PolarHBondContact O-N 3.19Å; V108-F111 VanDerWaalsContact O-N 3.17Å; F111-G113 PolarHBondContact O-N 3.02Å; F111-G113 VanDerWaalsContact O-N 3.16Å
112	I	92.3	Very high	95.9	Very high	71 Å²	71	85.3 Å²	85.3	36%	0.364	49%	0.494	S	S	.	.			trans	-63.9	-21.6	-172	-161	168	0	0	0	114.7	S55 V108 M109	S55-I112 WeakPolarHBondContact CA-O 3.42Å; S55-I112 WeakPolarHBondContact CB-O 3.48Å; S55-I112 PolarHBondContact OG-O 2.96Å; V108-I112 PolarHBondContact O-N 3.02Å; M109-I112 WeakPolarHBondContact O-CG2 3.36Å
113	G	85.4	Confident	95.7	Very high	96 Å²	96	84.2 Å²	84.2	99%	0.99	48%	0.484	S	S	*	.			trans	-83	0	178	0	0	0	0	0	112.8	F111	F111-G113 PolarHBondContact O-N 3.02Å; F111-G113 VanDerWaalsContact O-N 3.16Å

Retrieved 113 of 113 residues in 85 ms (Link to these results)

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