A0A087XRE8_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB (A0A3B3TUR6), UniProt , Accession A0A087XRE8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 116 aa.

						>A0A087XRE8_POEFO|A0A087XRE8
MAGLLKKTTGLVGLAVSQNPHERLRILYAKILASLQTMPQDAAYRKYTEQLVNKRLDHVKTEPDIGKLEKKINGGQIEEVIFQAECELSLSRKMADWKPWEPLVEEPPPNQWKWPI
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	67.5	Low	244 Å²	244	111.6 Å²	111.6	100%	1.202	66%	0.655	S	S	*	*				0	105.8	0	-71.5	-165.5	-90.7	0	0	107.1	G3	M1-G3 PolarHBondContact O-N 3.33Å; M1-G3 VanDerWaalsContact O-N 3.17Å
2	A	41.8	Very low	69	Low	108 Å²	108	115.4 Å²	115.4	89%	0.893	68%	0.68	S	S	*	*			trans	-65.1	114.5	177.3	0	0	0	0	0	108
3	G	55.5	Low	70.3	Confident	60 Å²	60	113.1 Å²	113.1	62%	0.619	70%	0.695	S	S	*	*			trans	-59.4	158	178.5	0	0	0	0	0	111.3	M1 L5	M1-G3 PolarHBondContact O-N 3.33Å; M1-G3 VanDerWaalsContact O-N 3.17Å; G3-L5 PolarHBondContact O-N 3.44Å
4	L	60.1	Low	71.5	Confident	172 Å²	172	107.8 Å²	107.8	90%	0.901	66%	0.66	S	S	*	*			trans	-62.2	97.4	179	-148	121.4	0	0	0	109.2	K6	L4-K6 PolarHBondContact O-N 3.17Å
5	L	66.1	Low	72.5	Confident	118 Å²	118	106.3 Å²	106.3	62%	0.618	66%	0.663	S	S	*	*			trans	-81.5	111.1	-177.5	-108.6	155.7	0	0	0	109.6	G3 K7	G3-L5 PolarHBondContact O-N 3.44Å; L5-K7 PolarHBondContact O-N 2.87Å
6	K	71.4	Confident	73.3	Confident	64 Å²	64	102.1 Å²	102.1	28%	0.278	64%	0.636	S	S	.	*			trans	-63.8	122.3	175.9	-163.3	174.2	-179.2	-179.9	0	108.8	L4 V16 E69 Q76 E78	L4-K6 PolarHBondContact O-N 3.17Å; K6-V16 HydrophobicContact CB-CG1 4.09Å; K6-E69 IonicContact NZ-OE1 3.36Å; K6-Q76 VanDerWaalsContact CE-OE1 3.24Å; K6-E78 IonicContact NZ-OE1 3.52Å; K6-E78 IonicContact NZ-OE2 3.96Å; K6-E78 PolarHBondContact NZ-OE2 3.24Å
7	K	77.6	Confident	73.9	Confident	201 Å²	201	98.1 Å²	98.1	87%	0.874	61%	0.613	S	S	*	*	S	Bend	trans	-73.7	-40.6	-176.6	-71.5	-174.8	178	-178.3	0	112.4	L5	L5-K7 PolarHBondContact O-N 2.87Å
8	T	81.1	Confident	74.4	Confident	104 Å²	104	100.1 Å²	100.1	64%	0.638	61%	0.614	S	S	*	*			trans	-149.2	153.8	177.6	64.8	0	0	0	0	109.7	G10	T8-G10 VanDerWaalsContact C-N 3.35Å
9	T	79.8	Confident	75.1	Confident	12 Å²	12	100.2 Å²	100.2	7%	0.074	61%	0.61	C	S	.	*			trans	-80.8	-17.6	170.3	53.1	0	0	0	0	112.1	L11 L14 V16 Q76 E78	T9-L11 PolarHBondContact O-N 3.41Å; T9-L11 PolarHBondContact OG1-N 2.7Å; T9-L11 PolarHBondContact OG1-O 3.45Å; T9-L14 HydrophobicContact CG2-CD2 4.44Å; T9-L14 HydrophobicContact CG2-CG 4.37Å; T9-L14 WeakPolarHBondContact CG2-O 3.48Å; T9-L14 PolarHBondContact OG1-O 3.17Å; T9-V16 HydrophobicContact CG2-CG2 3.81Å; T9-Q76 PolarHBondContact O-NE2 3.38Å; T9-Q76 PolarHBondContact O-OE1 3.37Å; T9-E78 HydrophobicContact CG2-CB 4.24Å; T9-E78 HydrophobicContact CG2-CG 3.85Å
10	G	85.8	Confident	75.7	Confident	69 Å²	69	95.4 Å²	95.4	71%	0.711	58%	0.581	S	S	*	*	S	Bend	trans	71.3	4	-173.7	0	0	0	0	0	114	T8	T8-G10 VanDerWaalsContact C-N 3.35Å
11	L	86	Confident	76.3	Confident	76 Å²	76	93 Å²	93	40%	0.398	56%	0.563	S	S	.	*	S	Bend	trans	-112.5	132.6	177.5	-63.7	175.3	0	0	0	109.5	T9 L14 E79	T9-L11 PolarHBondContact O-N 3.41Å; T9-L11 PolarHBondContact OG1-N 2.7Å; T9-L11 PolarHBondContact OG1-O 3.45Å; L11-L14 HydrophobicContact CB-CB 4.14Å; L11-L14 HydrophobicContact CB-CD2 4.47Å; L11-L14 HydrophobicContact CD1-CD2 3.88Å; L11-E79 HydrophobicContact CD1-CG 4Å
12	V	85.8	Confident	78.9	Confident	157 Å²	157	87.3 Å²	87.3	95%	0.952	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	133.7	178.3	178.5	0	0	0	0	109.5	L14	V12-L14 VanDerWaalsContact C-N 3.27Å; V12-L14 PolarHBondContact O-N 3.24Å
13	G	85.6	Confident	81.3	Confident	85 Å²	85	88.1 Å²	88.1	88%	0.876	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	-3.2	177.3	0	0	0	0	0	115.3
14	L	86.9	Confident	83.1	Confident	39 Å²	39	85.2 Å²	85.2	20%	0.204	48%	0.484	C	S	.	.			trans	-106.9	101.2	176.8	-169.2	66.8	0	0	0	110.9	T9 L11 V12 E78 E79	T9-L14 HydrophobicContact CG2-CD2 4.44Å; T9-L14 HydrophobicContact CG2-CG 4.37Å; T9-L14 WeakPolarHBondContact CG2-O 3.48Å; T9-L14 PolarHBondContact OG1-O 3.17Å; L11-L14 HydrophobicContact CB-CB 4.14Å; L11-L14 HydrophobicContact CB-CD2 4.47Å; L11-L14 HydrophobicContact CD1-CD2 3.88Å; V12-L14 VanDerWaalsContact C-N 3.27Å; V12-L14 PolarHBondContact O-N 3.24Å; L14-E78 HydrophobicContact CD1-CB 4.08Å; L14-E78 HydrophobicContact CD2-CB 3.65Å; L14-E78 HydrophobicContact CG-CB 3.8Å; L14-E79 HydrophobicContact CD2-CG 3.64Å
15	A	86.4	Confident	84.7	Confident	86 Å²	86	84.7 Å²	84.7	71%	0.711	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-73.6	145.5	179.1	0	0	0	0	0	112	S17	A15-S17 PolarHBondContact O-N 2.78Å
16	V	86	Confident	86	Confident	38 Å²	38	83.3 Å²	83.3	23%	0.23	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-65.6	130.4	175.2	177.4	0	0	0	0	109.7	K6 T9	K6-V16 HydrophobicContact CB-CG1 4.09Å; T9-V16 HydrophobicContact CG2-CG2 3.81Å
17	S	82.9	Confident	87.1	Confident	34 Å²	34	80.8 Å²	80.8	24%	0.238	45%	0.452	C	S	.	.	P	Polyproline II helix	trans	-85.8	127.5	175.6	-174.2	0	0	0	0	110.7	A15	A15-S17 PolarHBondContact O-N 2.78Å
18	Q	82.8	Confident	88	Confident	135 Å²	135	71.3 Å²	71.3	63%	0.631	41%	0.411	S	S	*	.	S	Bend	trans	-70.1	-42.6	179.4	-63.1	-66.7	-30.5	0	0	112	P20	Q18-P20 WeakPolarHBondContact O-CD 3.4Å
19	N	87.6	Confident	88.6	Confident	101 Å²	101	68.9 Å²	68.9	54%	0.54	40%	0.401	S	S	.	.			trans	-126.7	74	-177.6	-68.8	-22.6	0	0	0	110.9	H21 E22 R23	N19-H21 PolarHBondContact O-N 3.26Å; N19-E22 HydrophobicContact CB-CB 4.49Å; N19-R23 PolarHBondContact O-N 3.43Å
20	P	87.5	Confident	89.4	Confident	5 Å²	5	73.9 Å²	73.9	3%	0.032	42%	0.422	C	S	.	.	H	α-helix	trans	-66	-36.4	-174	23.6	-32.3	0	0	0	113.4	Q18 R23 L24 I65 I77 I81	Q18-P20 WeakPolarHBondContact O-CD 3.4Å; P20-R23 PolarHBondContact O-N 2.92Å; P20-L24 WeakPolarHBondContact O-CB 3.3Å; P20-L24 VanDerWaalsContact O-CG 3.31Å; P20-L24 WeakPolarHBondContact O-CG 3.31Å; P20-L24 PolarHBondContact O-N 3.44Å; P20-I65 HydrophobicContact CG-CD1 3.81Å; P20-I65 HydrophobicContact CG-CG1 4.12Å; P20-I77 HydrophobicContact CB-CG1 3.71Å; P20-I77 HydrophobicContact CB-CG2 4.02Å; P20-I77 HydrophobicContact CG-CG1 4.42Å; P20-I77 HydrophobicContact CG-CG2 4.33Å; P20-I81 HydrophobicContact CB-CD1 3.86Å
21	H	89.4	Confident	89.8	Confident	44 Å²	44	70.6 Å²	70.6	20%	0.204	39%	0.388	C	S	.	.	H	α-helix	trans	-64	-47.3	-178.6	-70	-96.5	0	0	0	112.6	N19 L24 R25 V59 E62 L68	N19-H21 PolarHBondContact O-N 3.26Å; H21-L24 PolarHBondContact O-N 2.99Å; H21-R25 WeakPolarHBondContact O-CB 3.33Å; H21-R25 PolarHBondContact O-N 3.27Å; H21-V59 HydrophobicContact CB-CG1 4.42Å; H21-V59 PolarHBondContact ND1-O 2.99Å; H21-E62 PolarHBondContact CE1-O 2.99Å; H21-L68 VanDerWaalsContact CE1-CD2 3.48Å; H21-L68 WeakPolarHBondContact CE1-CD2 3.38Å
22	E	91.1	Very high	90.2	Very high	125 Å²	125	68.8 Å²	68.8	58%	0.584	38%	0.378	S	S	*	.	H	α-helix	trans	-64	-44.6	178.2	-68.1	-176.7	162.9	0	0	111	N19 L24 R25 I26	N19-E22 HydrophobicContact CB-CB 4.49Å; E22-L24 PolarHBondContact O-N 3.28Å; E22-R25 PolarHBondContact O-N 3.48Å; E22-I26 VanDerWaalsContact O-CG1 3.3Å; E22-I26 WeakPolarHBondContact O-CG1 3.35Å; E22-I26 PolarHBondContact O-N 2.77Å
23	R	92.4	Very high	90.6	Very high	125 Å²	125	63.8 Å²	63.8	47%	0.472	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-49.4	177.9	-171.1	72.5	179.6	-179.4	-0.4	111.2	N19 P20 R25 I26 L27 I81 E85	N19-R23 PolarHBondContact O-N 3.43Å; P20-R23 PolarHBondContact O-N 2.92Å; R23-R25 PolarHBondContact O-N 3.29Å; R23-I26 PolarHBondContact O-N 3.33Å; R23-L27 HydrophobicContact CG-CD1 4.18Å; R23-L27 WeakPolarHBondContact O-CG 3.48Å; R23-L27 PolarHBondContact O-N 2.87Å; R23-I81 HydrophobicContact CB-CD1 4.48Å; R23-I81 HydrophobicContact CG-CD1 4.45Å; R23-I81 HydrophobicContact CG-CG2 3.99Å; R23-E85 IonicContact CZ-OE1 2.82Å; R23-E85 IonicContact NE-OE1 2.57Å; R23-E85 IonicContact NH2-OE1 3.52Å; R23-E85 PolarHBondContact NH2-OE1 3.32Å
24	L	92.6	Very high	91	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.6	-42.7	177.8	-76.2	173.9	0	0	0	112.1	P20 H21 E22 I26 L27 Y28 V59 I77 V80 I81 A84	P20-L24 WeakPolarHBondContact O-CB 3.3Å; P20-L24 VanDerWaalsContact O-CG 3.31Å; P20-L24 WeakPolarHBondContact O-CG 3.31Å; P20-L24 PolarHBondContact O-N 3.44Å; H21-L24 PolarHBondContact O-N 2.99Å; E22-L24 PolarHBondContact O-N 3.28Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 3.02Å; L24-L27 PolarHBondContact O-N 2.87Å; L24-Y28 HydrophobicContact CB-CD2 4.23Å; L24-Y28 HydrophobicContact CB-CE2 3.99Å; L24-Y28 HydrophobicContact CD2-CE2 4.01Å; L24-Y28 HydrophobicContact CG-CE2 4.47Å; L24-Y28 WeakPolarHBondContact O-CB 3.38Å; L24-Y28 WeakPolarHBondContact O-CD2 3.37Å; L24-Y28 PolarHBondContact O-N 3.26Å; L24-V59 HydrophobicContact CB-CG1 4.44Å; L24-V59 HydrophobicContact CB-CG2 4.42Å; L24-V59 HydrophobicContact CD1-CG2 4.03Å; L24-I77 HydrophobicContact CD1-CD1 3.54Å; L24-I77 HydrophobicContact CD1-CG1 4.05Å; L24-V80 HydrophobicContact CD2-CG1 4.11Å; L24-I81 HydrophobicContact CD1-CG1 4.35Å; L24-I81 HydrophobicContact CD2-CB 4.32Å; L24-I81 HydrophobicContact CD2-CG1 3.57Å; L24-I81 HydrophobicContact CG-CG1 3.69Å; L24-A84 HydrophobicContact CD2-CB 4.41Å
25	R	93.3	Very high	91.2	Very high	160 Å²	160	58.9 Å²	58.9	60%	0.604	31%	0.309	S	S	*	.	H	α-helix	trans	-60.1	-43.5	177.6	-174.3	176.6	178.3	169.4	-0.9	111.8	H21 E22 R23 A29	H21-R25 WeakPolarHBondContact O-CB 3.33Å; H21-R25 PolarHBondContact O-N 3.27Å; E22-R25 PolarHBondContact O-N 3.48Å; R23-R25 PolarHBondContact O-N 3.29Å; R25-A29 VanDerWaalsContact O-CB 3.29Å; R25-A29 WeakPolarHBondContact O-CB 3.47Å; R25-A29 PolarHBondContact O-N 3Å
26	I	94.5	Very high	91.4	Very high	90 Å²	90	61.4 Å²	61.4	46%	0.462	31%	0.306	S	S	.	.	H	α-helix	trans	-64.9	-44.5	177.4	-66.5	164.9	0	0	0	110.6	E22 R23 L24 A29 K30	E22-I26 VanDerWaalsContact O-CG1 3.3Å; E22-I26 WeakPolarHBondContact O-CG1 3.35Å; E22-I26 PolarHBondContact O-N 2.77Å; R23-I26 PolarHBondContact O-N 3.33Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 3.02Å; I26-A29 PolarHBondContact O-N 2.82Å; I26-K30 HydrophobicContact CG2-CD 4.13Å; I26-K30 WeakPolarHBondContact O-CG 3.43Å; I26-K30 PolarHBondContact O-N 3.17Å
27	L	94.9	Very high	91.6	Very high	10 Å²	10	64.6 Å²	64.6	5%	0.052	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-49.1	180	-71.1	172.5	0	0	0	111.7	R23 L24 A29 K30 I31 I81 A84 E85 L88	R23-L27 HydrophobicContact CG-CD1 4.18Å; R23-L27 WeakPolarHBondContact O-CG 3.48Å; R23-L27 PolarHBondContact O-N 2.87Å; L24-L27 PolarHBondContact O-N 2.87Å; L27-A29 VanDerWaalsContact C-N 3.35Å; L27-A29 PolarHBondContact O-N 2.87Å; L27-K30 PolarHBondContact O-N 3.16Å; L27-K30 VanDerWaalsContact O-N 3.16Å; L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.32Å; L27-I31 PolarHBondContact O-N 3.42Å; L27-I81 HydrophobicContact CD1-CG2 3.95Å; L27-A84 HydrophobicContact CB-CB 4.12Å; L27-A84 HydrophobicContact CD1-CB 4Å; L27-E85 HydrophobicContact CD1-CG 3.7Å; L27-E85 HydrophobicContact CD2-CG 3.81Å; L27-E85 HydrophobicContact CG-CG 4.44Å; L27-L88 HydrophobicContact CD2-CD1 4.28Å
28	Y	94.8	Very high	91.9	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-39.8	177.9	-68.9	-45.4	0	0	0	112.6	L24 K30 I31 L32 V52 R55 L56 V59 A84	L24-Y28 HydrophobicContact CB-CD2 4.23Å; L24-Y28 HydrophobicContact CB-CE2 3.99Å; L24-Y28 HydrophobicContact CD2-CE2 4.01Å; L24-Y28 HydrophobicContact CG-CE2 4.47Å; L24-Y28 WeakPolarHBondContact O-CB 3.38Å; L24-Y28 WeakPolarHBondContact O-CD2 3.37Å; L24-Y28 PolarHBondContact O-N 3.26Å; Y28-K30 VanDerWaalsContact C-N 3.33Å; Y28-K30 PolarHBondContact O-N 3.03Å; Y28-I31 HydrophobicContact CD1-CD1 4.06Å; Y28-I31 PolarHBondContact O-N 3.49Å; Y28-L32 WeakPolarHBondContact O-CG 3.33Å; Y28-L32 PolarHBondContact O-N 3.42Å; Y28-V52 HydrophobicContact CD1-CB 4.42Å; Y28-V52 HydrophobicContact CD1-CG1 3.66Å; Y28-V52 HydrophobicContact CD1-CG2 4.27Å; Y28-V52 HydrophobicContact CG-CG1 4Å; Y28-R55 HydrophobicContact CE1-CB 4.39Å; Y28-R55 HydrophobicContact CE2-CB 4.17Å; Y28-R55 WeakPolarHBondContact OH-CD 3.41Å; Y28-L56 HydrophobicContact CD2-CD1 4.11Å; Y28-L56 HydrophobicContact CG-CD1 4.31Å; Y28-V59 HydrophobicContact CE2-CG2 4.22Å; Y28-A84 HydrophobicContact CE1-CB 4.13Å
29	A	94.9	Very high	92.3	Very high	53 Å²	53	59 Å²	59	44%	0.438	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-41.6	174.2	0	0	0	0	0	112.1	R25 I26 L27 L32 A33	R25-A29 VanDerWaalsContact O-CB 3.29Å; R25-A29 WeakPolarHBondContact O-CB 3.47Å; R25-A29 PolarHBondContact O-N 3Å; I26-A29 PolarHBondContact O-N 2.82Å; L27-A29 VanDerWaalsContact C-N 3.35Å; L27-A29 PolarHBondContact O-N 2.87Å; A29-L32 PolarHBondContact O-N 2.98Å; A29-A33 PolarHBondContact O-N 3.48Å
30	K	95.5	Very high	92.4	Very high	116 Å²	116	61.9 Å²	61.9	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-66.6	-38.9	175.5	-74	174.8	176.9	-178.9	0	112.6	I26 L27 Y28 A33 S34 L88	I26-K30 HydrophobicContact CG2-CD 4.13Å; I26-K30 WeakPolarHBondContact O-CG 3.43Å; I26-K30 PolarHBondContact O-N 3.17Å; L27-K30 PolarHBondContact O-N 3.16Å; L27-K30 VanDerWaalsContact O-N 3.16Å; Y28-K30 VanDerWaalsContact C-N 3.33Å; Y28-K30 PolarHBondContact O-N 3.03Å; K30-A33 PolarHBondContact O-N 2.96Å; K30-S34 PolarHBondContact O-N 3.2Å; K30-L88 HydrophobicContact CB-CD1 3.47Å; K30-L88 VanDerWaalsContact CB-CD1 3.47Å; K30-L88 HydrophobicContact CD-CD1 4.04Å; K30-L88 HydrophobicContact CG-CD1 4.41Å
31	I	94.9	Very high	92.5	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-61.1	-52.8	174.7	-67	161.9	0	0	0	109	L27 Y28 A33 S34 L35 V52 A84 E87 L88	L27-I31 VanDerWaalsContact O-CG1 3.32Å; L27-I31 WeakPolarHBondContact O-CG1 3.32Å; L27-I31 PolarHBondContact O-N 3.42Å; Y28-I31 HydrophobicContact CD1-CD1 4.06Å; Y28-I31 PolarHBondContact O-N 3.49Å; I31-A33 VanDerWaalsContact C-N 3.27Å; I31-A33 PolarHBondContact O-N 2.83Å; I31-S34 CarbonylContact O-C 3.57Å; I31-S34 WeakPolarHBondContact O-CA 3.5Å; I31-S34 WeakPolarHBondContact O-CB 3.11Å; I31-S34 PolarHBondContact O-N 3.19Å; I31-S34 PolarHBondContact O-OG 3.03Å; I31-L35 HydrophobicContact CG2-CD1 4Å; I31-L35 HydrophobicContact CG2-CG 4.11Å; I31-L35 WeakPolarHBondContact O-CG 3.4Å; I31-L35 PolarHBondContact O-N 3.31Å; I31-V52 HydrophobicContact CG2-CG2 3.97Å; I31-A84 HydrophobicContact CD1-CB 4.36Å; I31-E87 HydrophobicContact CD1-CB 4.14Å; I31-E87 HydrophobicContact CD1-CG 4.22Å; I31-L88 HydrophobicContact CD1-CB 4.42Å; I31-L88 HydrophobicContact CG1-CB 3.78Å; I31-L88 HydrophobicContact CG1-CD1 4.33Å; I31-L88 HydrophobicContact CG1-CG 4.38Å
32	L	94.6	Very high	92.6	Very high	37 Å²	37	66 Å²	66	19%	0.194	34%	0.335	C	S	.	.	H	α-helix	trans	-55.6	-41.3	178	-69.6	174.8	0	0	0	112.3	Y28 A29 S34 L35 Q36 E49 V52	Y28-L32 WeakPolarHBondContact O-CG 3.33Å; Y28-L32 PolarHBondContact O-N 3.42Å; A29-L32 PolarHBondContact O-N 2.98Å; L32-S34 PolarHBondContact O-N 3.48Å; L32-L35 HydrophobicContact CD2-CD1 4.43Å; L32-L35 PolarHBondContact O-N 3.02Å; L32-Q36 WeakPolarHBondContact O-CG 3.46Å; L32-Q36 PolarHBondContact O-N 2.98Å; L32-E49 HydrophobicContact CD2-CG 4.36Å; L32-V52 HydrophobicContact CD1-CG1 4.29Å; L32-V52 HydrophobicContact CD2-CB 4.29Å; L32-V52 HydrophobicContact CD2-CG1 3.88Å; L32-V52 HydrophobicContact CG-CG1 3.82Å
33	A	94.6	Very high	92.7	Very high	53 Å²	53	62.9 Å²	62.9	44%	0.438	33%	0.33	S	S	.	.	H	α-helix	trans	-62.7	-40	174.5	0	0	0	0	0	112.7	A29 K30 I31 Q36	A29-A33 PolarHBondContact O-N 3.48Å; K30-A33 PolarHBondContact O-N 2.96Å; I31-A33 VanDerWaalsContact C-N 3.27Å; I31-A33 PolarHBondContact O-N 2.83Å; A33-Q36 WeakPolarHBondContact O-CB 3.48Å; A33-Q36 PolarHBondContact O-N 3.26Å
34	S	92.6	Very high	92.7	Very high	21 Å²	21	59 Å²	59	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-68.3	-33	174	69.3	0	0	0	0	112.9	K30 I31 L32 Q36 T37 S91	K30-S34 PolarHBondContact O-N 3.2Å; I31-S34 CarbonylContact O-C 3.57Å; I31-S34 WeakPolarHBondContact O-CA 3.5Å; I31-S34 WeakPolarHBondContact O-CB 3.11Å; I31-S34 PolarHBondContact O-N 3.19Å; I31-S34 PolarHBondContact O-OG 3.03Å; L32-S34 PolarHBondContact O-N 3.48Å; S34-Q36 PolarHBondContact O-N 3.46Å; S34-T37 PolarHBondContact O-N 3.47Å; S34-T37 PolarHBondContact O-OG1 3.17Å; S34-S91 WeakPolarHBondContact OG-CB 3.48Å; S34-S91 PolarHBondContact OG-OG 2.96Å
35	L	91.6	Very high	92.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.5	-25.7	178.4	-64.3	179.6	0	0	0	112.3	I31 L32 T37 M38 Y44 R45 T48 E49	I31-L35 HydrophobicContact CG2-CD1 4Å; I31-L35 HydrophobicContact CG2-CG 4.11Å; I31-L35 WeakPolarHBondContact O-CG 3.4Å; I31-L35 PolarHBondContact O-N 3.31Å; L32-L35 HydrophobicContact CD2-CD1 4.43Å; L32-L35 PolarHBondContact O-N 3.02Å; L35-T37 PolarHBondContact O-N 2.97Å; L35-M38 HydrophobicContact CB-CE 4.24Å; L35-M38 HydrophobicContact CD2-CE 3.17Å; L35-M38 HydrophobicContact CG-CE 4.25Å; L35-M38 PolarHBondContact O-N 3.48Å; L35-Y44 HydrophobicContact CD2-CE1 4.1Å; L35-R45 HydrophobicContact CB-CG 4.41Å; L35-R45 WeakPolarHBondContact O-CD 3.41Å; L35-R45 PolarHBondContact O-NE 3.35Å; L35-T48 WeakPolarHBondContact CD1-OG1 3.32Å; L35-T48 WeakPolarHBondContact CD2-OG1 3.46Å; L35-E49 HydrophobicContact CB-CG 4.32Å; L35-E49 HydrophobicContact CD1-CB 4.49Å; L35-E49 HydrophobicContact CD1-CG 3.66Å
36	Q	90.9	Very high	92.8	Very high	138 Å²	138	58.2 Å²	58.2	65%	0.645	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.7	177.4	-72.4	176.7	-11	0	0	113.8	L32 A33 S34 M38	L32-Q36 WeakPolarHBondContact O-CG 3.46Å; L32-Q36 PolarHBondContact O-N 2.98Å; A33-Q36 WeakPolarHBondContact O-CB 3.48Å; A33-Q36 PolarHBondContact O-N 3.26Å; S34-Q36 PolarHBondContact O-N 3.46Å; Q36-M38 VanDerWaalsContact C-N 3.29Å
37	T	90.1	Very high	92.8	Very high	105 Å²	105	61.2 Å²	61.2	64%	0.644	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.5	178.7	67.3	0	0	0	0	113.1	S34 L35	S34-T37 PolarHBondContact O-N 3.47Å; S34-T37 PolarHBondContact O-OG1 3.17Å; L35-T37 PolarHBondContact O-N 2.97Å
38	M	89.5	Confident	92.8	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.02	32%	0.323	C	S	.	.	S	Bend	trans	-93.3	156.1	179.4	-64.8	-175.6	-81	0	0	110.7	L35 Q36 Y44 R45 M94 W100	L35-M38 HydrophobicContact CB-CE 4.24Å; L35-M38 HydrophobicContact CD2-CE 3.17Å; L35-M38 HydrophobicContact CG-CE 4.25Å; L35-M38 PolarHBondContact O-N 3.48Å; Q36-M38 VanDerWaalsContact C-N 3.29Å; M38-Y44 HydrophobicContact CE-CD1 3.96Å; M38-Y44 HydrophobicContact CE-CE1 3.91Å; M38-Y44 HydrophobicContact SD-CD1 4.01Å; M38-Y44 HydrophobicContact SD-CE1 4.32Å; M38-R45 PolarHBondContact O-NH1 3.12Å; M38-M94 HydrophobicContact SD-CB 4.2Å; M38-W100 HydrophobicContact CB-CH2 4.11Å; M38-W100 HydrophobicContact CB-CZ3 4.12Å; M38-W100 HydrophobicContact CG-CH2 3.56Å; M38-W100 HydrophobicContact CG-CZ3 3.61Å; M38-W100 HydrophobicContact SD-CE3 4.33Å; M38-W100 HydrophobicContact SD-CH2 3.98Å; M38-W100 HydrophobicContact SD-CZ3 3.42Å; M38-W100 WeakPolarHBondContact SD-CZ3 3.4Å
39	P	91.8	Very high	92.7	Very high	49 Å²	49	63.6 Å²	63.6	32%	0.318	33%	0.334	S	S	.	.			trans	-72.3	153.4	178.9	33	-36.7	0	0	0	111.8	D41 A42 R45 W100	P39-D41 VanDerWaalsContact C-N 3.28Å; P39-D41 WeakPolarHBondContact CB-OD1 3.43Å; P39-D41 VanDerWaalsContact CG-OD1 3.24Å; P39-D41 WeakPolarHBondContact CG-OD1 3.41Å; P39-D41 PolarHBondContact O-N 3.46Å; P39-A42 HydrophobicContact CG-CB 4.25Å; P39-A42 WeakPolarHBondContact O-CB 3.45Å; P39-A42 PolarHBondContact O-N 2.86Å; P39-R45 WeakPolarHBondContact O-CD 3.43Å; P39-W100 HydrophobicContact CG-CD2 4.13Å; P39-W100 HydrophobicContact CG-CG 4.14Å; P39-W100 HydrophobicContact CG-CZ2 4.41Å
40	Q	89.9	Confident	92.8	Very high	161 Å²	161	66.4 Å²	66.4	75%	0.752	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.2	-175.3	-74.8	-176.4	-8.8	0	0	113.9	A42	Q40-A42 VanDerWaalsContact C-N 3.33Å
41	D	89.8	Confident	92.7	Very high	133 Å²	133	64.8 Å²	64.8	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-23.8	176.9	64.6	-18.4	0	0	0	112.7	P39 A43	P39-D41 VanDerWaalsContact C-N 3.28Å; P39-D41 WeakPolarHBondContact CB-OD1 3.43Å; P39-D41 VanDerWaalsContact CG-OD1 3.24Å; P39-D41 WeakPolarHBondContact CG-OD1 3.41Å; P39-D41 PolarHBondContact O-N 3.46Å; D41-A43 PolarHBondContact O-N 3.36Å; D41-A43 VanDerWaalsContact O-N 3.14Å
42	A	91.4	Very high	92.7	Very high	3 Å²	3	65 Å²	65	3%	0.025	34%	0.336	C	S	.	.			trans	-58.1	119.2	179.1	0	0	0	0	0	110.7	P39 Q40 Y44 R45 K46 W100	P39-A42 HydrophobicContact CG-CB 4.25Å; P39-A42 WeakPolarHBondContact O-CB 3.45Å; P39-A42 PolarHBondContact O-N 2.86Å; Q40-A42 VanDerWaalsContact C-N 3.33Å; A42-Y44 PolarHBondContact O-N 2.94Å; A42-R45 HydrophobicContact CB-CB 4.18Å; A42-R45 WeakPolarHBondContact O-CB 3.29Å; A42-R45 PolarHBondContact O-N 3.4Å; A42-K46 PolarHBondContact O-N 3.47Å; A42-W100 HydrophobicContact CB-CB 3.8Å; A42-W100 HydrophobicContact CB-CD2 4.15Å; A42-W100 HydrophobicContact CB-CE3 4.05Å; A42-W100 HydrophobicContact CB-CG 4.08Å
43	A	92.6	Very high	92.7	Very high	58 Å²	58	66.4 Å²	66.4	48%	0.479	34%	0.343	S	S	.	.	H	α-helix	trans	-54.7	-42.1	179.1	0	0	0	0	0	111.8	D41 R45 K46 Y47	D41-A43 PolarHBondContact O-N 3.36Å; D41-A43 VanDerWaalsContact O-N 3.14Å; A43-R45 PolarHBondContact O-N 3.11Å; A43-K46 PolarHBondContact O-N 3.43Å; A43-Y47 HydrophobicContact CB-CD2 4.35Å; A43-Y47 HydrophobicContact CB-CE2 4.07Å; A43-Y47 WeakPolarHBondContact O-CD2 3.5Å; A43-Y47 PolarHBondContact O-N 3.48Å; A43-Y47 VanDerWaalsContact O-N 3.1Å
44	Y	92.7	Very high	92.7	Very high	43 Å²	43	70 Å²	70	17%	0.169	35%	0.349	C	S	.	.	H	α-helix	trans	-55.5	-48.3	176.8	178	-108.9	0	0	0	111.7	L35 M38 A42 K46 Y47 T48 E87 L90 M94	L35-Y44 HydrophobicContact CD2-CE1 4.1Å; M38-Y44 HydrophobicContact CE-CD1 3.96Å; M38-Y44 HydrophobicContact CE-CE1 3.91Å; M38-Y44 HydrophobicContact SD-CD1 4.01Å; M38-Y44 HydrophobicContact SD-CE1 4.32Å; A42-Y44 PolarHBondContact O-N 2.94Å; Y44-K46 PolarHBondContact O-N 2.81Å; Y44-Y47 PolarHBondContact O-N 3Å; Y44-T48 HydrophobicContact CD1-CG2 4.47Å; Y44-T48 HydrophobicContact CD2-CG2 3.75Å; Y44-T48 HydrophobicContact CE1-CG2 4.15Å; Y44-T48 HydrophobicContact CE2-CG2 3.35Å; Y44-T48 HydrophobicContact CG-CG2 4.29Å; Y44-T48 WeakPolarHBondContact O-CB 3.38Å; Y44-T48 VanDerWaalsContact O-CG2 3.28Å; Y44-T48 WeakPolarHBondContact O-CG2 3.5Å; Y44-T48 PolarHBondContact O-N 3.49Å; Y44-T48 PolarHBondContact O-OG1 2.93Å; Y44-E87 PolarHBondContact OH-OE1 2.9Å; Y44-L90 HydrophobicContact CE2-CD2 4.33Å; Y44-M94 HydrophobicContact CD1-CB 4.22Å; Y44-M94 HydrophobicContact CD1-CE 4.47Å; Y44-M94 HydrophobicContact CD1-CG 4.12Å; Y44-M94 HydrophobicContact CD2-CE 3.77Å; Y44-M94 HydrophobicContact CE1-CB 3.91Å; Y44-M94 HydrophobicContact CE1-CE 4.48Å; Y44-M94 HydrophobicContact CE1-CG 3.67Å; Y44-M94 HydrophobicContact CE2-CE 3.8Å; Y44-M94 HydrophobicContact CE2-CG 4.45Å; Y44-M94 HydrophobicContact CG-CE 4.13Å
45	R	93.6	Very high	92.6	Very high	29 Å²	29	71 Å²	71	11%	0.109	35%	0.35	C	S	.	.	H	α-helix	trans	-60	-49.1	179.5	-178	179.8	172.3	172.1	3.3	111.3	L35 M38 P39 A42 A43 Y47 T48 E49	L35-R45 HydrophobicContact CB-CG 4.41Å; L35-R45 WeakPolarHBondContact O-CD 3.41Å; L35-R45 PolarHBondContact O-NE 3.35Å; M38-R45 PolarHBondContact O-NH1 3.12Å; P39-R45 WeakPolarHBondContact O-CD 3.43Å; A42-R45 HydrophobicContact CB-CB 4.18Å; A42-R45 WeakPolarHBondContact O-CB 3.29Å; A42-R45 PolarHBondContact O-N 3.4Å; A43-R45 PolarHBondContact O-N 3.11Å; R45-Y47 PolarHBondContact O-N 3.17Å; R45-T48 WeakPolarHBondContact CA-OG1 3.35Å; R45-T48 PolarHBondContact O-N 3.49Å; R45-T48 PolarHBondContact O-OG1 3.41Å; R45-T48 VanDerWaalsContact O-OG1 3.07Å; R45-E49 HydrophobicContact CG-CG 4.23Å; R45-E49 IonicContact CZ-OE1 3.58Å; R45-E49 IonicContact NE-OE1 2.76Å; R45-E49 PolarHBondContact NE-OE1 3.39Å; R45-E49 IonicContact NH2-OE1 2.77Å; R45-E49 PolarHBondContact NH2-OE1 3.41Å; R45-E49 WeakPolarHBondContact O-CB 3.37Å; R45-E49 VanDerWaalsContact O-CG 3.3Å; R45-E49 WeakPolarHBondContact O-CG 3.45Å; R45-E49 PolarHBondContact O-N 2.96Å
46	K	93.8	Very high	92.7	Very high	116 Å²	116	71.9 Å²	71.9	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-58.2	-47.9	-178.5	-176.2	179.8	-180	179	0	112.4	A42 A43 Y44 Q50	A42-K46 PolarHBondContact O-N 3.47Å; A43-K46 PolarHBondContact O-N 3.43Å; Y44-K46 PolarHBondContact O-N 2.81Å; K46-Q50 VanDerWaalsContact O-CG 3.29Å; K46-Q50 WeakPolarHBondContact O-CG 3.5Å; K46-Q50 PolarHBondContact O-N 3.49Å
47	Y	94.8	Very high	92.8	Very high	152 Å²	152	69.2 Å²	69.2	60%	0.596	35%	0.345	S	S	*	.	H	α-helix	trans	-73.8	-38.3	-177.3	-64.7	-56.8	0	0	0	112.7	A43 Y44 R45 Q50 L51	A43-Y47 HydrophobicContact CB-CD2 4.35Å; A43-Y47 HydrophobicContact CB-CE2 4.07Å; A43-Y47 WeakPolarHBondContact O-CD2 3.5Å; A43-Y47 PolarHBondContact O-N 3.48Å; A43-Y47 VanDerWaalsContact O-N 3.1Å; Y44-Y47 PolarHBondContact O-N 3Å; R45-Y47 PolarHBondContact O-N 3.17Å; Y47-Q50 PolarHBondContact O-N 3.49Å; Y47-L51 WeakPolarHBondContact O-CB 3.38Å; Y47-L51 PolarHBondContact O-N 2.95Å
48	T	94.2	Very high	92.9	Very high	12 Å²	12	66.6 Å²	66.6	7%	0.074	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-42	177.4	50.8	0	0	0	0	111.9	L35 Y44 R45 Q50 L51 V52 E87	L35-T48 WeakPolarHBondContact CD1-OG1 3.32Å; L35-T48 WeakPolarHBondContact CD2-OG1 3.46Å; Y44-T48 HydrophobicContact CD1-CG2 4.47Å; Y44-T48 HydrophobicContact CD2-CG2 3.75Å; Y44-T48 HydrophobicContact CE1-CG2 4.15Å; Y44-T48 HydrophobicContact CE2-CG2 3.35Å; Y44-T48 HydrophobicContact CG-CG2 4.29Å; Y44-T48 WeakPolarHBondContact O-CB 3.38Å; Y44-T48 VanDerWaalsContact O-CG2 3.28Å; Y44-T48 WeakPolarHBondContact O-CG2 3.5Å; Y44-T48 PolarHBondContact O-N 3.49Å; Y44-T48 PolarHBondContact O-OG1 2.93Å; R45-T48 WeakPolarHBondContact CA-OG1 3.35Å; R45-T48 PolarHBondContact O-N 3.49Å; R45-T48 PolarHBondContact O-OG1 3.41Å; R45-T48 VanDerWaalsContact O-OG1 3.07Å; T48-Q50 PolarHBondContact O-N 3.17Å; T48-L51 PolarHBondContact O-N 2.86Å; T48-V52 VanDerWaalsContact O-CB 3.3Å; T48-V52 WeakPolarHBondContact O-CB 3.27Å; T48-V52 VanDerWaalsContact O-CG2 3.22Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.43Å; T48-E87 WeakPolarHBondContact CG2-OE1 3.3Å
49	E	94.2	Very high	92.9	Very high	51 Å²	51	67 Å²	67	24%	0.238	33%	0.327	C	S	.	.	H	α-helix	trans	-59.3	-45.8	174.3	-75.7	-178.1	172	0	0	111.3	L32 L35 R45 L51 V52 N53	L32-E49 HydrophobicContact CD2-CG 4.36Å; L35-E49 HydrophobicContact CB-CG 4.32Å; L35-E49 HydrophobicContact CD1-CB 4.49Å; L35-E49 HydrophobicContact CD1-CG 3.66Å; R45-E49 HydrophobicContact CG-CG 4.23Å; R45-E49 IonicContact CZ-OE1 3.58Å; R45-E49 IonicContact NE-OE1 2.76Å; R45-E49 PolarHBondContact NE-OE1 3.39Å; R45-E49 IonicContact NH2-OE1 2.77Å; R45-E49 PolarHBondContact NH2-OE1 3.41Å; R45-E49 WeakPolarHBondContact O-CB 3.37Å; R45-E49 VanDerWaalsContact O-CG 3.3Å; R45-E49 WeakPolarHBondContact O-CG 3.45Å; R45-E49 PolarHBondContact O-N 2.96Å; E49-L51 PolarHBondContact O-N 2.97Å; E49-V52 PolarHBondContact O-N 3.01Å; E49-N53 VanDerWaalsContact O-CB 3.25Å; E49-N53 WeakPolarHBondContact O-CB 3.41Å; E49-N53 PolarHBondContact O-N 3.24Å; E49-N53 PolarHBondContact O-ND2 3.48Å
50	Q	94.9	Very high	92.9	Very high	113 Å²	113	70.3 Å²	70.3	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-60.8	-46.1	177.2	-74.7	179.8	-1.4	0	0	112.2	K46 Y47 T48 K54	K46-Q50 VanDerWaalsContact O-CG 3.29Å; K46-Q50 WeakPolarHBondContact O-CG 3.5Å; K46-Q50 PolarHBondContact O-N 3.49Å; Y47-Q50 PolarHBondContact O-N 3.49Å; T48-Q50 PolarHBondContact O-N 3.17Å; Q50-K54 WeakPolarHBondContact O-CB 3.35Å; Q50-K54 PolarHBondContact O-N 3.5Å
51	L	93.6	Very high	92.9	Very high	82 Å²	82	67 Å²	67	43%	0.429	33%	0.328	S	S	.	.	H	α-helix	trans	-64.2	-47.3	179.4	-178.4	66.4	0	0	0	111.7	Y47 T48 E49 K54 R55	Y47-L51 WeakPolarHBondContact O-CB 3.38Å; Y47-L51 PolarHBondContact O-N 2.95Å; T48-L51 PolarHBondContact O-N 2.86Å; E49-L51 PolarHBondContact O-N 2.97Å; L51-K54 PolarHBondContact O-N 3.47Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 3.27Å
52	V	94.8	Very high	92.9	Very high	5 Å²	5	62.3 Å²	62.3	3%	0.03	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-43.7	-178.8	170.4	0	0	0	0	110.7	Y28 I31 L32 T48 E49 R55 L56	Y28-V52 HydrophobicContact CD1-CB 4.42Å; Y28-V52 HydrophobicContact CD1-CG1 3.66Å; Y28-V52 HydrophobicContact CD1-CG2 4.27Å; Y28-V52 HydrophobicContact CG-CG1 4Å; I31-V52 HydrophobicContact CG2-CG2 3.97Å; L32-V52 HydrophobicContact CD1-CG1 4.29Å; L32-V52 HydrophobicContact CD2-CB 4.29Å; L32-V52 HydrophobicContact CD2-CG1 3.88Å; L32-V52 HydrophobicContact CG-CG1 3.82Å; T48-V52 VanDerWaalsContact O-CB 3.3Å; T48-V52 WeakPolarHBondContact O-CB 3.27Å; T48-V52 VanDerWaalsContact O-CG2 3.22Å; T48-V52 WeakPolarHBondContact O-CG2 3.43Å; T48-V52 PolarHBondContact O-N 3.43Å; E49-V52 PolarHBondContact O-N 3.01Å; V52-R55 PolarHBondContact O-N 3.23Å; V52-L56 VanDerWaalsContact O-CB 3.22Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 PolarHBondContact O-N 2.73Å
53	N	94.8	Very high	92.7	Very high	66 Å²	66	67.5 Å²	67.5	35%	0.353	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-46	176.9	-75.1	-32.5	0	0	0	111.7	E49 R55 L56 D57	E49-N53 VanDerWaalsContact O-CB 3.25Å; E49-N53 WeakPolarHBondContact O-CB 3.41Å; E49-N53 PolarHBondContact O-N 3.24Å; E49-N53 PolarHBondContact O-ND2 3.48Å; N53-R55 VanDerWaalsContact C-N 3.33Å; N53-R55 PolarHBondContact O-N 3.48Å; N53-L56 WeakPolarHBondContact O-CB 3.22Å; N53-L56 PolarHBondContact O-N 3.47Å; N53-D57 VanDerWaalsContact O-CG 3.24Å; N53-D57 PolarHBondContact O-N 3.39Å
54	K	94.3	Very high	92.4	Very high	130 Å²	130	68.4 Å²	68.4	57%	0.565	33%	0.332	S	S	*	.	H	α-helix	trans	-58.1	-45	176.1	-177.4	177.6	179.4	-177.2	0	112.1	Q50 L51 D57 H58	Q50-K54 WeakPolarHBondContact O-CB 3.35Å; Q50-K54 PolarHBondContact O-N 3.5Å; L51-K54 PolarHBondContact O-N 3.47Å; K54-D57 PolarHBondContact O-N 3.05Å; K54-H58 PolarHBondContact O-CD2 3.08Å; K54-H58 PolarHBondContact O-N 2.87Å; K54-H58 VanDerWaalsContact O-N 3.1Å
55	R	92.4	Very high	92	Very high	40 Å²	40	69 Å²	69	15%	0.151	34%	0.338	C	S	.	.	H	α-helix	trans	-67.3	-41.2	177.7	-72.3	178.2	174.5	-158.7	-3.4	111.9	Y28 L51 V52 N53 D57 H58 V59	Y28-R55 HydrophobicContact CE1-CB 4.39Å; Y28-R55 HydrophobicContact CE2-CB 4.17Å; Y28-R55 WeakPolarHBondContact OH-CD 3.41Å; L51-R55 WeakPolarHBondContact O-CG 3.46Å; L51-R55 PolarHBondContact O-N 3.27Å; V52-R55 PolarHBondContact O-N 3.23Å; N53-R55 VanDerWaalsContact C-N 3.33Å; N53-R55 PolarHBondContact O-N 3.48Å; R55-D57 VanDerWaalsContact C-N 3.3Å; R55-D57 PolarHBondContact O-N 3.45Å; R55-H58 PolarHBondContact O-N 3.18Å; R55-V59 VanDerWaalsContact O-CG2 3.29Å; R55-V59 WeakPolarHBondContact O-CG2 3.48Å; R55-V59 PolarHBondContact O-N 2.92Å
56	L	92.9	Very high	91.6	Very high	19 Å²	19	69.1 Å²	69.1	10%	0.099	35%	0.348	C	S	.	.	H	α-helix	trans	-60	-41.7	175.7	-172.3	88.9	0	0	0	111	Y28 V52 N53 V59 K60	Y28-L56 HydrophobicContact CD2-CD1 4.11Å; Y28-L56 HydrophobicContact CG-CD1 4.31Å; V52-L56 VanDerWaalsContact O-CB 3.22Å; V52-L56 WeakPolarHBondContact O-CB 3.47Å; V52-L56 PolarHBondContact O-N 2.73Å; N53-L56 WeakPolarHBondContact O-CB 3.22Å; N53-L56 PolarHBondContact O-N 3.47Å; L56-V59 PolarHBondContact O-N 3.28Å; L56-K60 VanDerWaalsContact CD2-NZ 3.32Å; L56-K60 WeakPolarHBondContact O-CG 3.43Å; L56-K60 PolarHBondContact O-N 2.79Å
57	D	93.6	Very high	91.4	Very high	83 Å²	83	69.4 Å²	69.4	44%	0.444	35%	0.349	S	S	.	.	H	α-helix	trans	-65.2	-43.7	177.4	-68.8	-22	0	0	0	111.1	N53 K54 R55 V59 K60 T61	N53-D57 VanDerWaalsContact O-CG 3.24Å; N53-D57 PolarHBondContact O-N 3.39Å; K54-D57 PolarHBondContact O-N 3.05Å; R55-D57 VanDerWaalsContact C-N 3.3Å; R55-D57 PolarHBondContact O-N 3.45Å; D57-V59 VanDerWaalsContact C-N 3.31Å; D57-V59 PolarHBondContact O-N 3.45Å; D57-K60 PolarHBondContact O-N 3Å; D57-K60 VanDerWaalsContact O-N 3.12Å; D57-K60 IonicContact OD1-NZ 3.87Å; D57-T61 PolarHBondContact O-N 2.66Å; D57-T61 PolarHBondContact O-OG1 2.64Å
58	H	91.1	Very high	91.1	Very high	49 Å²	49	62.2 Å²	62.2	23%	0.227	32%	0.321	C	S	.	.	H	α-helix	trans	-58	-42.3	172.7	-66.3	-35.6	0	0	0	112.8	K54 R55 K60 T61 E62 L68	K54-H58 PolarHBondContact O-CD2 3.08Å; K54-H58 PolarHBondContact O-N 2.87Å; K54-H58 VanDerWaalsContact O-N 3.1Å; R55-H58 PolarHBondContact O-N 3.18Å; H58-K60 VanDerWaalsContact C-N 3.3Å; H58-K60 PolarHBondContact O-N 2.8Å; H58-T61 PolarHBondContact O-N 3.23Å; H58-E62 PolarHBondContact O-N 2.8Å; H58-E62 VanDerWaalsContact O-N 3.09Å; H58-L68 HydrophobicContact CB-CD1 4.12Å; H58-L68 WeakPolarHBondContact O-CD1 3.29Å
59	V	90.6	Very high	90.8	Very high	12 Å²	12	63.8 Å²	63.8	7%	0.073	33%	0.328	C	S	.	.	H	α-helix	trans	-65.4	-31.4	177	173.1	0	0	0	0	112.3	H21 L24 Y28 R55 L56 D57 L68	H21-V59 HydrophobicContact CB-CG1 4.42Å; H21-V59 PolarHBondContact ND1-O 2.99Å; L24-V59 HydrophobicContact CB-CG1 4.44Å; L24-V59 HydrophobicContact CB-CG2 4.42Å; L24-V59 HydrophobicContact CD1-CG2 4.03Å; Y28-V59 HydrophobicContact CE2-CG2 4.22Å; R55-V59 VanDerWaalsContact O-CG2 3.29Å; R55-V59 WeakPolarHBondContact O-CG2 3.48Å; R55-V59 PolarHBondContact O-N 2.92Å; L56-V59 PolarHBondContact O-N 3.28Å; D57-V59 VanDerWaalsContact C-N 3.31Å; D57-V59 PolarHBondContact O-N 3.45Å; V59-L68 HydrophobicContact CG2-CD1 4.17Å; V59-L68 HydrophobicContact CG2-CD2 4.11Å
60	K	90.3	Very high	90.5	Very high	120 Å²	120	69.8 Å²	69.8	52%	0.522	35%	0.353	S	S	.	.	H	α-helix	trans	-78.6	-38.7	176.2	-71.7	170.7	-176.5	167.8	0	112.6	L56 D57 H58	L56-K60 VanDerWaalsContact CD2-NZ 3.32Å; L56-K60 WeakPolarHBondContact O-CG 3.43Å; L56-K60 PolarHBondContact O-N 2.79Å; D57-K60 PolarHBondContact O-N 3Å; D57-K60 VanDerWaalsContact O-N 3.12Å; D57-K60 IonicContact OD1-NZ 3.87Å; H58-K60 VanDerWaalsContact C-N 3.3Å; H58-K60 PolarHBondContact O-N 2.8Å
61	T	91.3	Very high	90.3	Very high	92 Å²	92	69 Å²	69	56%	0.564	35%	0.348	S	S	*	.	H	α-helix	trans	-74.8	-40.6	-175.7	-54.2	0	0	0	0	112.1	D57 H58 P63	D57-T61 PolarHBondContact O-N 2.66Å; D57-T61 PolarHBondContact O-OG1 2.64Å; H58-T61 PolarHBondContact O-N 3.23Å; T61-P63 WeakPolarHBondContact O-CD 3.46Å
62	E	89.8	Confident	90	Very high	33 Å²	33	66.2 Å²	66.2	15%	0.154	33%	0.333	C	S	.	.			trans	-102.3	115.9	-177.4	-69.4	-61.4	149.7	0	0	111.2	H21 H58 D64 L68 K71	H21-E62 PolarHBondContact CE1-O 2.99Å; H58-E62 PolarHBondContact O-N 2.8Å; H58-E62 VanDerWaalsContact O-N 3.09Å; E62-D64 VanDerWaalsContact C-N 3.35Å; E62-L68 HydrophobicContact CB-CB 4.42Å; E62-K71 VanDerWaalsContact CD-NZ 3.3Å; E62-K71 HydrophobicContact CG-CD 3.74Å; E62-K71 VanDerWaalsContact CG-CE 3.47Å; E62-K71 VanDerWaalsContact CG-NZ 3.26Å; E62-K71 VanDerWaalsContact OE1-CE 3.24Å; E62-K71 WeakPolarHBondContact OE1-CE 3.48Å; E62-K71 IonicContact OE1-NZ 3.04Å; E62-K71 PolarHBondContact OE1-NZ 3.12Å
63	P	85.8	Confident	89.6	Confident	113 Å²	113	72.9 Å²	72.9	73%	0.734	37%	0.368	S	S	*	.			trans	-82.6	-13.6	173.1	32.6	-34.5	0	0	0	113.1	T61	T61-P63 WeakPolarHBondContact O-CD 3.46Å
64	D	87.8	Confident	88.9	Confident	76 Å²	76	71.2 Å²	71.2	41%	0.406	37%	0.367	S	S	.	.			trans	-94.3	128	-179.2	178.9	40.1	0	0	0	111.6	E62 G66 K67 L68	E62-D64 VanDerWaalsContact C-N 3.35Å; D64-G66 PolarHBondContact O-N 3.43Å; D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 HydrophobicContact CB-CD 4.33Å; D64-K67 PolarHBondContact O-N 3.28Å; D64-K67 WeakPolarHBondContact OD2-CG 3.24Å; D64-K67 PolarHBondContact OD2-N 3.37Å; D64-L68 WeakPolarHBondContact O-CB 3.31Å; D64-L68 PolarHBondContact O-N 3.45Å
65	I	84.1	Confident	88.6	Confident	56 Å²	56	67.2 Å²	67.2	29%	0.287	36%	0.363	S	S	.	.	H	α-helix	trans	-64.9	-43.6	-175.6	-59.2	168	0	0	0	110.5	P20 K67 L68 E69 I77	P20-I65 HydrophobicContact CG-CD1 3.81Å; P20-I65 HydrophobicContact CG-CG1 4.12Å; I65-K67 PolarHBondContact O-N 3.29Å; I65-L68 WeakPolarHBondContact O-CB 3.41Å; I65-L68 PolarHBondContact O-N 3.09Å; I65-E69 HydrophobicContact CG2-CG 4.4Å; I65-E69 WeakPolarHBondContact O-CG 3.42Å; I65-E69 PolarHBondContact O-N 3.41Å; I65-I77 HydrophobicContact CG2-CB 4.09Å; I65-I77 HydrophobicContact CG2-CG1 4.49Å; I65-I77 HydrophobicContact CG2-CG2 3.84Å
66	G	85.2	Confident	88.5	Confident	32 Å²	32	67.5 Å²	67.5	33%	0.33	37%	0.366	S	S	.	.	H	α-helix	trans	-66.7	-35.7	-176.2	0	0	0	0	0	113.3	D64 K70	D64-G66 PolarHBondContact O-N 3.43Å; G66-K70 WeakPolarHBondContact O-CG 3.5Å; G66-K70 PolarHBondContact O-N 2.98Å
67	K	88.1	Confident	88.4	Confident	122 Å²	122	66.7 Å²	66.7	53%	0.53	36%	0.362	S	S	.	.	H	α-helix	trans	-72.2	-38.7	171.8	-71.3	176.6	-172.1	177.5	0	111.9	D64 I65 K70 K71	D64-K67 HydrophobicContact CB-CB 4.4Å; D64-K67 HydrophobicContact CB-CD 4.33Å; D64-K67 PolarHBondContact O-N 3.28Å; D64-K67 WeakPolarHBondContact OD2-CG 3.24Å; D64-K67 PolarHBondContact OD2-N 3.37Å; I65-K67 PolarHBondContact O-N 3.29Å; K67-K70 PolarHBondContact O-N 2.87Å; K67-K71 WeakPolarHBondContact O-CG 3.46Å; K67-K71 PolarHBondContact O-N 3.36Å
68	L	88.4	Confident	88.2	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61	-46	178.3	-178.9	63	0	0	0	111.7	H21 H58 V59 E62 D64 I65 K70 K71 I72 I77	H21-L68 VanDerWaalsContact CE1-CD2 3.48Å; H21-L68 WeakPolarHBondContact CE1-CD2 3.38Å; H58-L68 HydrophobicContact CB-CD1 4.12Å; H58-L68 WeakPolarHBondContact O-CD1 3.29Å; V59-L68 HydrophobicContact CG2-CD1 4.17Å; V59-L68 HydrophobicContact CG2-CD2 4.11Å; E62-L68 HydrophobicContact CB-CB 4.42Å; D64-L68 WeakPolarHBondContact O-CB 3.31Å; D64-L68 PolarHBondContact O-N 3.45Å; I65-L68 WeakPolarHBondContact O-CB 3.41Å; I65-L68 PolarHBondContact O-N 3.09Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 2.57Å; L68-K71 PolarHBondContact O-N 2.91Å; L68-I72 HydrophobicContact CD1-CD1 3.69Å; L68-I72 HydrophobicContact CD1-CG1 4.07Å; L68-I72 HydrophobicContact CG-CD1 3.88Å; L68-I72 HydrophobicContact CG-CG1 4.49Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.97Å; L68-I77 HydrophobicContact CD2-CD1 3.66Å; L68-I77 HydrophobicContact CG-CD1 4.14Å
69	E	88.7	Confident	88.2	Confident	46 Å²	46	64.4 Å²	64.4	22%	0.215	35%	0.348	C	S	.	.	H	α-helix	trans	-56.1	-45.5	176	-73.6	178.8	161	0	0	111.3	K6 I65 K71 I72 N73 I77	K6-E69 IonicContact NZ-OE1 3.36Å; I65-E69 HydrophobicContact CG2-CG 4.4Å; I65-E69 WeakPolarHBondContact O-CG 3.42Å; I65-E69 PolarHBondContact O-N 3.41Å; E69-K71 PolarHBondContact O-N 3.47Å; E69-I72 PolarHBondContact O-N 3.47Å; E69-N73 PolarHBondContact O-N 3.17Å; E69-I77 HydrophobicContact CG-CB 4.04Å; E69-I77 PolarHBondContact OE1-N 3.31Å
70	K	89.1	Confident	88.3	Confident	176 Å²	176	64 Å²	64	77%	0.765	35%	0.346	S	S	*	.	H	α-helix	trans	-64.8	-37.8	177.5	-69.2	178	-176.3	-178	0	113.2	G66 K67 L68	G66-K70 WeakPolarHBondContact O-CG 3.5Å; G66-K70 PolarHBondContact O-N 2.98Å; K67-K70 PolarHBondContact O-N 2.87Å; L68-K70 VanDerWaalsContact C-N 3.31Å; L68-K70 PolarHBondContact O-N 2.57Å
71	K	89.6	Confident	88.4	Confident	97 Å²	97	59 Å²	59	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-70.6	-40.9	178.6	-75.6	-164.8	-173.7	-174.9	0	112.5	E62 K67 L68 E69 N73	E62-K71 VanDerWaalsContact CD-NZ 3.3Å; E62-K71 HydrophobicContact CG-CD 3.74Å; E62-K71 VanDerWaalsContact CG-CE 3.47Å; E62-K71 VanDerWaalsContact CG-NZ 3.26Å; E62-K71 VanDerWaalsContact OE1-CE 3.24Å; E62-K71 WeakPolarHBondContact OE1-CE 3.48Å; E62-K71 IonicContact OE1-NZ 3.04Å; E62-K71 PolarHBondContact OE1-NZ 3.12Å; K67-K71 WeakPolarHBondContact O-CG 3.46Å; K67-K71 PolarHBondContact O-N 3.36Å; L68-K71 PolarHBondContact O-N 2.91Å; E69-K71 PolarHBondContact O-N 3.47Å; K71-N73 VanDerWaalsContact C-N 3.33Å
72	I	86.9	Confident	88.5	Confident	23 Å²	23	60.5 Å²	60.5	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-73.3	-31.3	178.9	-65.3	177.9	0	0	0	110.5	L68 E69 G74 V80	L68-I72 HydrophobicContact CD1-CD1 3.69Å; L68-I72 HydrophobicContact CD1-CG1 4.07Å; L68-I72 HydrophobicContact CG-CD1 3.88Å; L68-I72 HydrophobicContact CG-CG1 4.49Å; L68-I72 WeakPolarHBondContact O-CG1 3.42Å; L68-I72 PolarHBondContact O-N 2.97Å; E69-I72 PolarHBondContact O-N 3.47Å; I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.99Å; I72-V80 HydrophobicContact CD1-CG1 4.41Å; I72-V80 HydrophobicContact CG2-CG1 4.46Å; I72-V80 HydrophobicContact CG2-CG2 4.09Å
73	N	86.9	Confident	88.7	Confident	145 Å²	145	63 Å²	63	78%	0.775	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	46.7	-178.8	-165.5	28.1	0	0	0	112.4	E69 K71	E69-N73 PolarHBondContact O-N 3.17Å; K71-N73 VanDerWaalsContact C-N 3.33Å
74	G	80.5	Confident	89.1	Confident	32 Å²	32	57.8 Å²	57.8	33%	0.33	30%	0.301	S	S	.	.	S	Bend	trans	-127.3	26.9	-173.4	0	0	0	0	0	113.6	I72	I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.99Å
75	G	88.7	Confident	89.5	Confident	46 Å²	46	57.5 Å²	57.5	47%	0.474	30%	0.298	S	S	.	.	S	Bend	trans	83.8	-148.1	-172.7	0	0	0	0	0	112.6
76	Q	89.9	Confident	90	Very high	46 Å²	46	57.7 Å²	57.7	22%	0.215	30%	0.303	C	S	.	.			trans	-77.1	154.9	179.2	-60.1	-174.5	32	0	0	111.6	K6 T9 E78 E79 V80	K6-Q76 VanDerWaalsContact CE-OE1 3.24Å; T9-Q76 PolarHBondContact O-NE2 3.38Å; T9-Q76 PolarHBondContact O-OE1 3.37Å; Q76-E78 PolarHBondContact O-N 3.34Å; Q76-E78 VanDerWaalsContact O-N 3.17Å; Q76-E79 HydrophobicContact CB-CG 4.35Å; Q76-E79 PolarHBondContact N-OE2 3.38Å; Q76-E79 WeakPolarHBondContact O-CB 3.35Å; Q76-E79 PolarHBondContact O-N 3.36Å; Q76-V80 PolarHBondContact O-N 3.23Å; Q76-V80 VanDerWaalsContact O-N 3.17Å
77	I	90.1	Very high	90.5	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-60	-31.5	-179.3	-160.9	62.9	0	0	0	112.5	P20 L24 I65 L68 E69 V80 I81	P20-I77 HydrophobicContact CB-CG1 3.71Å; P20-I77 HydrophobicContact CB-CG2 4.02Å; P20-I77 HydrophobicContact CG-CG1 4.42Å; P20-I77 HydrophobicContact CG-CG2 4.33Å; L24-I77 HydrophobicContact CD1-CD1 3.54Å; L24-I77 HydrophobicContact CD1-CG1 4.05Å; I65-I77 HydrophobicContact CG2-CB 4.09Å; I65-I77 HydrophobicContact CG2-CG1 4.49Å; I65-I77 HydrophobicContact CG2-CG2 3.84Å; L68-I77 HydrophobicContact CD2-CD1 3.66Å; L68-I77 HydrophobicContact CG-CD1 4.14Å; E69-I77 HydrophobicContact CG-CB 4.04Å; E69-I77 PolarHBondContact OE1-N 3.31Å; I77-V80 PolarHBondContact O-N 3.21Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 2.88Å
78	E	90.3	Very high	90.8	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.037	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-37.3	175.8	-65.4	84.9	178	0	0	112.7	K6 T9 L14 Q76 V80 I81 F82	K6-E78 IonicContact NZ-OE1 3.52Å; K6-E78 IonicContact NZ-OE2 3.96Å; K6-E78 PolarHBondContact NZ-OE2 3.24Å; T9-E78 HydrophobicContact CG2-CB 4.24Å; T9-E78 HydrophobicContact CG2-CG 3.85Å; L14-E78 HydrophobicContact CD1-CB 4.08Å; L14-E78 HydrophobicContact CD2-CB 3.65Å; L14-E78 HydrophobicContact CG-CB 3.8Å; Q76-E78 PolarHBondContact O-N 3.34Å; Q76-E78 VanDerWaalsContact O-N 3.17Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-I81 WeakPolarHBondContact O-CB 3.43Å; E78-I81 PolarHBondContact O-N 3.24Å; E78-F82 PolarHBondContact O-N 3.47Å
79	E	91	Very high	91.2	Very high	76 Å²	76	56.1 Å²	56.1	36%	0.355	30%	0.296	S	S	.	.	H	α-helix	trans	-67.5	-37.4	175.1	-62.9	177.5	102.4	0	0	110.7	L11 L14 Q76 I81 F82 Q83	L11-E79 HydrophobicContact CD1-CG 4Å; L14-E79 HydrophobicContact CD2-CG 3.64Å; Q76-E79 HydrophobicContact CB-CG 4.35Å; Q76-E79 PolarHBondContact N-OE2 3.38Å; Q76-E79 WeakPolarHBondContact O-CB 3.35Å; Q76-E79 PolarHBondContact O-N 3.36Å; E79-I81 VanDerWaalsContact C-N 3.32Å; E79-I81 PolarHBondContact O-N 2.9Å; E79-F82 PolarHBondContact O-N 3.01Å; E79-Q83 WeakPolarHBondContact O-CB 3.48Å; E79-Q83 PolarHBondContact O-N 3.32Å
80	V	92.8	Very high	91.5	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.012	30%	0.3	C	S	.	.	H	α-helix	trans	-64.8	-37.9	174.8	-179.9	0	0	0	0	111.2	L24 I72 Q76 I77 E78 Q83 A84	L24-V80 HydrophobicContact CD2-CG1 4.11Å; I72-V80 HydrophobicContact CD1-CG1 4.41Å; I72-V80 HydrophobicContact CG2-CG1 4.46Å; I72-V80 HydrophobicContact CG2-CG2 4.09Å; Q76-V80 PolarHBondContact O-N 3.23Å; Q76-V80 VanDerWaalsContact O-N 3.17Å; I77-V80 PolarHBondContact O-N 3.21Å; E78-V80 VanDerWaalsContact C-N 3.32Å; V80-Q83 PolarHBondContact O-N 3.07Å; V80-A84 WeakPolarHBondContact O-CB 3.28Å; V80-A84 PolarHBondContact O-N 2.85Å
81	I	92.5	Very high	91.7	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.077	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-48.5	173.2	-70.1	166	0	0	0	110.2	P20 R23 L24 L27 I77 E78 E79 Q83 A84 E85	P20-I81 HydrophobicContact CB-CD1 3.86Å; R23-I81 HydrophobicContact CB-CD1 4.48Å; R23-I81 HydrophobicContact CG-CD1 4.45Å; R23-I81 HydrophobicContact CG-CG2 3.99Å; L24-I81 HydrophobicContact CD1-CG1 4.35Å; L24-I81 HydrophobicContact CD2-CB 4.32Å; L24-I81 HydrophobicContact CD2-CG1 3.57Å; L24-I81 HydrophobicContact CG-CG1 3.69Å; L27-I81 HydrophobicContact CD1-CG2 3.95Å; I77-I81 WeakPolarHBondContact O-CG1 3.38Å; I77-I81 PolarHBondContact O-N 2.88Å; E78-I81 WeakPolarHBondContact O-CB 3.43Å; E78-I81 PolarHBondContact O-N 3.24Å; E79-I81 VanDerWaalsContact C-N 3.32Å; E79-I81 PolarHBondContact O-N 2.9Å; I81-Q83 VanDerWaalsContact C-N 3.3Å; I81-Q83 PolarHBondContact O-N 2.65Å; I81-A84 WeakPolarHBondContact O-CB 3.34Å; I81-A84 PolarHBondContact O-N 3.49Å; I81-A84 VanDerWaalsContact O-N 3.11Å; I81-E85 PolarHBondContact O-N 3.45Å
82	F	92.9	Very high	91.8	Very high	124 Å²	124	51 Å²	51	54%	0.544	27%	0.271	S	S	.	.	H	α-helix	trans	-60	-42.3	177.5	-179.4	-106.2	0	0	0	111.6	E78 E79 A84 E85 C86	E78-F82 PolarHBondContact O-N 3.47Å; E79-F82 PolarHBondContact O-N 3.01Å; F82-A84 VanDerWaalsContact C-N 3.31Å; F82-A84 PolarHBondContact O-N 3.36Å; F82-E85 PolarHBondContact O-N 3.37Å; F82-E85 VanDerWaalsContact O-N 3.17Å; F82-C86 PolarHBondContact O-N 3Å; F82-C86 PolarHBondContact O-SG 3.06Å
83	Q	93.5	Very high	92.2	Very high	87 Å²	87	54.8 Å²	54.8	41%	0.407	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-42.9	174.3	-171.4	-179.3	30.2	0	0	111.5	E79 V80 I81 E85 C86 E87	E79-Q83 WeakPolarHBondContact O-CB 3.48Å; E79-Q83 PolarHBondContact O-N 3.32Å; V80-Q83 PolarHBondContact O-N 3.07Å; I81-Q83 VanDerWaalsContact C-N 3.3Å; I81-Q83 PolarHBondContact O-N 2.65Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; Q83-C86 PolarHBondContact O-N 3.44Å; Q83-E87 WeakPolarHBondContact O-CB 3.22Å; Q83-E87 PolarHBondContact O-N 2.87Å
84	A	94.4	Very high	92.4	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	26%	0.257	C	S	.	.	H	α-helix	trans	-66.3	-34.5	177.1	0	0	0	0	0	112.5	L24 L27 Y28 I31 V80 I81 F82 E87 L88	L24-A84 HydrophobicContact CD2-CB 4.41Å; L27-A84 HydrophobicContact CB-CB 4.12Å; L27-A84 HydrophobicContact CD1-CB 4Å; Y28-A84 HydrophobicContact CE1-CB 4.13Å; I31-A84 HydrophobicContact CD1-CB 4.36Å; V80-A84 WeakPolarHBondContact O-CB 3.28Å; V80-A84 PolarHBondContact O-N 2.85Å; I81-A84 WeakPolarHBondContact O-CB 3.34Å; I81-A84 PolarHBondContact O-N 3.49Å; I81-A84 VanDerWaalsContact O-N 3.11Å; F82-A84 VanDerWaalsContact C-N 3.31Å; F82-A84 PolarHBondContact O-N 3.36Å; A84-E87 PolarHBondContact O-N 3.32Å; A84-L88 WeakPolarHBondContact O-CB 3.25Å; A84-L88 PolarHBondContact O-N 3.1Å
85	E	95.1	Very high	92.8	Very high	71 Å²	71	49.2 Å²	49.2	33%	0.332	25%	0.253	S	S	.	.	H	α-helix	trans	-67.4	-42.1	173.4	-69.3	-175.9	166	0	0	111.9	R23 L27 I81 F82 Q83 L88 S89	R23-E85 IonicContact CZ-OE1 2.82Å; R23-E85 IonicContact NE-OE1 2.57Å; R23-E85 IonicContact NH2-OE1 3.52Å; R23-E85 PolarHBondContact NH2-OE1 3.32Å; L27-E85 HydrophobicContact CD1-CG 3.7Å; L27-E85 HydrophobicContact CD2-CG 3.81Å; L27-E85 HydrophobicContact CG-CG 4.44Å; I81-E85 PolarHBondContact O-N 3.45Å; F82-E85 PolarHBondContact O-N 3.37Å; F82-E85 VanDerWaalsContact O-N 3.17Å; Q83-E85 VanDerWaalsContact C-N 3.35Å; E85-L88 PolarHBondContact O-N 2.95Å; E85-S89 PolarHBondContact O-N 3.17Å
86	C	95.7	Very high	92.9	Very high	60 Å²	60	53.3 Å²	53.3	41%	0.405	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-43.9	172.6	-73	0	0	0	0	111.8	F82 Q83 L88 S89 L90	F82-C86 PolarHBondContact O-N 3Å; F82-C86 PolarHBondContact O-SG 3.06Å; Q83-C86 PolarHBondContact O-N 3.44Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 3.43Å; C86-S89 WeakPolarHBondContact O-CB 3.37Å; C86-S89 PolarHBondContact O-N 2.64Å; C86-L90 WeakPolarHBondContact O-CB 3.14Å; C86-L90 PolarHBondContact O-N 3.42Å
87	E	95.3	Very high	93	Very high	44 Å²	44	59.1 Å²	59.1	21%	0.206	28%	0.284	C	S	.	.	H	α-helix	trans	-62.9	-39.9	177.5	-170.1	63.2	-156.2	0	0	111.6	I31 Y44 T48 Q83 A84 S89 L90 S91	I31-E87 HydrophobicContact CD1-CB 4.14Å; I31-E87 HydrophobicContact CD1-CG 4.22Å; Y44-E87 PolarHBondContact OH-OE1 2.9Å; T48-E87 WeakPolarHBondContact CG2-OE1 3.3Å; Q83-E87 WeakPolarHBondContact O-CB 3.22Å; Q83-E87 PolarHBondContact O-N 2.87Å; A84-E87 PolarHBondContact O-N 3.32Å; E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 3.04Å; E87-L90 PolarHBondContact O-N 2.76Å; E87-S91 WeakPolarHBondContact O-CB 3.41Å; E87-S91 PolarHBondContact O-N 3.07Å; E87-S91 PolarHBondContact O-OG 3.06Å
88	L	95	Very high	93	Very high	20 Å²	20	63.7 Å²	63.7	11%	0.105	30%	0.304	C	S	.	.	H	α-helix	trans	-65.3	-36.2	175.1	-177.9	149.2	0	0	0	112.4	L27 K30 I31 A84 E85 C86 S91 R92	L27-L88 HydrophobicContact CD2-CD1 4.28Å; K30-L88 HydrophobicContact CB-CD1 3.47Å; K30-L88 VanDerWaalsContact CB-CD1 3.47Å; K30-L88 HydrophobicContact CD-CD1 4.04Å; K30-L88 HydrophobicContact CG-CD1 4.41Å; I31-L88 HydrophobicContact CD1-CB 4.42Å; I31-L88 HydrophobicContact CG1-CB 3.78Å; I31-L88 HydrophobicContact CG1-CD1 4.33Å; I31-L88 HydrophobicContact CG1-CG 4.38Å; A84-L88 WeakPolarHBondContact O-CB 3.25Å; A84-L88 PolarHBondContact O-N 3.1Å; E85-L88 PolarHBondContact O-N 2.95Å; C86-L88 VanDerWaalsContact C-N 3.33Å; C86-L88 PolarHBondContact O-N 3.43Å; L88-S91 PolarHBondContact O-OG 3.4Å; L88-S91 VanDerWaalsContact O-OG 3.05Å; L88-R92 WeakPolarHBondContact O-CG 3.2Å; L88-R92 PolarHBondContact O-N 3.23Å
89	S	96.1	Very high	93	Very high	56 Å²	56	66.8 Å²	66.8	39%	0.392	32%	0.324	S	S	.	.	H	α-helix	trans	-68.3	-41.9	173.1	-172.2	0	0	0	0	111.1	E85 C86 E87 R92 K93	E85-S89 PolarHBondContact O-N 3.17Å; C86-S89 WeakPolarHBondContact O-CB 3.37Å; C86-S89 PolarHBondContact O-N 2.64Å; E87-S89 VanDerWaalsContact C-N 3.32Å; E87-S89 PolarHBondContact O-N 3.04Å; S89-R92 PolarHBondContact O-N 3.18Å; S89-K93 WeakPolarHBondContact O-CG 3.3Å; S89-K93 PolarHBondContact O-N 3.38Å
90	L	94.8	Very high	92.9	Very high	57 Å²	57	66.7 Å²	66.7	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-63.3	-47.7	177.3	-178.8	62.8	0	0	0	111.3	Y44 C86 E87 R92 K93 M94 W97	Y44-L90 HydrophobicContact CE2-CD2 4.33Å; C86-L90 WeakPolarHBondContact O-CB 3.14Å; C86-L90 PolarHBondContact O-N 3.42Å; E87-L90 PolarHBondContact O-N 2.76Å; L90-R92 PolarHBondContact O-N 3.44Å; L90-K93 CarbonylContact O-C 3.58Å; L90-K93 WeakPolarHBondContact O-CA 3.48Å; L90-K93 PolarHBondContact O-N 3.41Å; L90-M94 HydrophobicContact CD1-CE 4.28Å; L90-M94 HydrophobicContact CD1-CG 4.09Å; L90-M94 HydrophobicContact CD1-SD 4.31Å; L90-M94 HydrophobicContact CG-CE 4.45Å; L90-M94 HydrophobicContact CG-CG 4.05Å; L90-M94 VanDerWaalsContact O-CG 3.27Å; L90-M94 WeakPolarHBondContact O-CG 3.24Å; L90-M94 PolarHBondContact O-N 3.48Å; L90-W97 HydrophobicContact CD1-CZ3 4.26Å
91	S	92.9	Very high	92.7	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-59.1	-36.6	-178.5	69.4	0	0	0	0	112.3	S34 E87 L88 A95	S34-S91 WeakPolarHBondContact OG-CB 3.48Å; S34-S91 PolarHBondContact OG-OG 2.96Å; E87-S91 WeakPolarHBondContact O-CB 3.41Å; E87-S91 PolarHBondContact O-N 3.07Å; E87-S91 PolarHBondContact O-OG 3.06Å; L88-S91 PolarHBondContact O-OG 3.4Å; L88-S91 VanDerWaalsContact O-OG 3.05Å; S91-A95 PolarHBondContact O-N 3.11Å
92	R	93.6	Very high	92.5	Very high	155 Å²	155	77 Å²	77	59%	0.585	38%	0.378	S	S	*	.	H	α-helix	trans	-64.4	-45.8	172.8	-70.2	171.3	175.5	-172	-4.2	112.1	L88 S89 L90 A95 D96	L88-R92 WeakPolarHBondContact O-CG 3.2Å; L88-R92 PolarHBondContact O-N 3.23Å; S89-R92 PolarHBondContact O-N 3.18Å; L90-R92 PolarHBondContact O-N 3.44Å; R92-A95 WeakPolarHBondContact O-CB 3Å; R92-A95 PolarHBondContact O-N 2.96Å; R92-D96 PolarHBondContact O-N 3.48Å
93	K	93.9	Very high	92.3	Very high	103 Å²	103	77.4 Å²	77.4	45%	0.448	39%	0.386	S	S	.	.	H	α-helix	trans	-66	-37.6	177	-68.3	177.6	-178.4	-177.4	0	112.4	S89 L90 A95 D96 W97	S89-K93 WeakPolarHBondContact O-CG 3.3Å; S89-K93 PolarHBondContact O-N 3.38Å; L90-K93 CarbonylContact O-C 3.58Å; L90-K93 WeakPolarHBondContact O-CA 3.48Å; L90-K93 PolarHBondContact O-N 3.41Å; K93-A95 PolarHBondContact O-N 3.1Å; K93-D96 PolarHBondContact O-N 3.3Å; K93-D96 VanDerWaalsContact O-N 3.08Å; K93-W97 HydrophobicContact CB-CD2 4.29Å; K93-W97 HydrophobicContact CB-CE3 4.28Å; K93-W97 HydrophobicContact CB-CH2 4.1Å; K93-W97 HydrophobicContact CB-CZ2 4.08Å; K93-W97 HydrophobicContact CB-CZ3 4.18Å; K93-W97 HydrophobicContact CD-CH2 4.05Å; K93-W97 HydrophobicContact CD-CZ2 4.09Å; K93-W97 VanDerWaalsContact O-CG 3.3Å; K93-W97 PolarHBondContact O-N 3.49Å
94	M	91.1	Very high	92.1	Very high	32 Å²	32	80 Å²	80	16%	0.158	41%	0.407	C	S	.	.	H	α-helix	trans	-62.4	-33.4	176.4	-69	-62.7	-138.8	0	0	111.7	M38 Y44 L90 D96 W97 K98 P99 W100	M38-M94 HydrophobicContact SD-CB 4.2Å; Y44-M94 HydrophobicContact CD1-CB 4.22Å; Y44-M94 HydrophobicContact CD1-CE 4.47Å; Y44-M94 HydrophobicContact CD1-CG 4.12Å; Y44-M94 HydrophobicContact CD2-CE 3.77Å; Y44-M94 HydrophobicContact CE1-CB 3.91Å; Y44-M94 HydrophobicContact CE1-CE 4.48Å; Y44-M94 HydrophobicContact CE1-CG 3.67Å; Y44-M94 HydrophobicContact CE2-CE 3.8Å; Y44-M94 HydrophobicContact CE2-CG 4.45Å; Y44-M94 HydrophobicContact CG-CE 4.13Å; L90-M94 HydrophobicContact CD1-CE 4.28Å; L90-M94 HydrophobicContact CD1-CG 4.09Å; L90-M94 HydrophobicContact CD1-SD 4.31Å; L90-M94 HydrophobicContact CG-CE 4.45Å; L90-M94 HydrophobicContact CG-CG 4.05Å; L90-M94 VanDerWaalsContact O-CG 3.27Å; L90-M94 WeakPolarHBondContact O-CG 3.24Å; L90-M94 PolarHBondContact O-N 3.48Å; M94-D96 VanDerWaalsContact C-N 3.29Å; M94-D96 PolarHBondContact O-N 2.91Å; M94-W97 PolarHBondContact O-N 2.98Å; M94-W97 HydrophobicContact SD-CE3 3.91Å; M94-W97 HydrophobicContact SD-CZ3 4.35Å; M94-K98 PolarHBondContact O-N 3.45Å; M94-P99 HydrophobicContact CE-CG 4.5Å; M94-P99 WeakPolarHBondContact O-CD 3.34Å; M94-P99 HydrophobicContact SD-CG 3.81Å; M94-W100 WeakPolarHBondContact O-CZ3 3.38Å
95	A	89.9	Confident	91.9	Very high	28 Å²	28	87.5 Å²	87.5	23%	0.231	44%	0.442	C	S	.	.	H	α-helix	trans	-63	-37.1	173.8	0	0	0	0	0	112.2	S91 R92 K93	S91-A95 PolarHBondContact O-N 3.11Å; R92-A95 WeakPolarHBondContact O-CB 3Å; R92-A95 PolarHBondContact O-N 2.96Å; K93-A95 PolarHBondContact O-N 3.1Å
96	D	91.2	Very high	91.6	Very high	132 Å²	132	92.4 Å²	92.4	71%	0.706	47%	0.465	S	S	*	.	H	α-helix	trans	-76.1	-41.2	176.9	-62	-30.4	0	0	0	112	R92 K93 M94	R92-D96 PolarHBondContact O-N 3.48Å; K93-D96 PolarHBondContact O-N 3.3Å; K93-D96 VanDerWaalsContact O-N 3.08Å; M94-D96 VanDerWaalsContact C-N 3.29Å; M94-D96 PolarHBondContact O-N 2.91Å
97	W	91.4	Very high	91.3	Very high	167 Å²	167	92.5 Å²	92.5	63%	0.633	46%	0.464	S	S	*	.	H	α-helix	trans	-76.2	-25.4	-175.7	-65.6	-21.4	0	0	0	114.6	L90 K93 M94	L90-W97 HydrophobicContact CD1-CZ3 4.26Å; K93-W97 HydrophobicContact CB-CD2 4.29Å; K93-W97 HydrophobicContact CB-CE3 4.28Å; K93-W97 HydrophobicContact CB-CH2 4.1Å; K93-W97 HydrophobicContact CB-CZ2 4.08Å; K93-W97 HydrophobicContact CB-CZ3 4.18Å; K93-W97 HydrophobicContact CD-CH2 4.05Å; K93-W97 HydrophobicContact CD-CZ2 4.09Å; K93-W97 VanDerWaalsContact O-CG 3.3Å; K93-W97 PolarHBondContact O-N 3.49Å; M94-W97 PolarHBondContact O-N 2.98Å; M94-W97 HydrophobicContact SD-CE3 3.91Å; M94-W97 HydrophobicContact SD-CZ3 4.35Å
98	K	90.3	Very high	91.1	Very high	99 Å²	99	94.2 Å²	94.2	43%	0.43	48%	0.479	S	S	.	.			trans	47.4	54.1	-179.3	-54.9	-177.5	-178.7	173.7	0	114.4	M94 W100 E101	M94-K98 PolarHBondContact O-N 3.45Å; K98-W100 HydrophobicContact CB-CD2 4.49Å; K98-W100 HydrophobicContact CB-CH2 4.2Å; K98-W100 HydrophobicContact CB-CZ2 3.77Å; K98-W100 HydrophobicContact CD-CZ2 4.4Å; K98-W100 HydrophobicContact CG-CH2 4.03Å; K98-W100 HydrophobicContact CG-CZ2 3.63Å; K98-W100 PolarHBondContact O-N 3.22Å; K98-E101 HydrophobicContact CB-CG 4.29Å; K98-E101 VanDerWaalsContact CD-OE1 3.31Å; K98-E101 WeakPolarHBondContact CD-OE1 3.29Å; K98-E101 PolarHBondContact O-N 3.29Å; K98-E101 VanDerWaalsContact O-N 3.11Å
99	P	89.6	Confident	90.6	Very high	72 Å²	72	99 Å²	99	47%	0.468	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-2.9	-175.2	32.6	-40.3	0	0	0	114.7	M94 E101	M94-P99 HydrophobicContact CE-CG 4.5Å; M94-P99 WeakPolarHBondContact O-CD 3.34Å; M94-P99 HydrophobicContact SD-CG 3.81Å; P99-E101 VanDerWaalsContact C-N 3.28Å
100	W	89	Confident	90.1	Very high	75 Å²	75	102.5 Å²	102.5	28%	0.284	53%	0.526	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.3	174.1	54.2	79.1	0	0	0	112.8	M38 P39 A42 M94 K98	M38-W100 HydrophobicContact CB-CH2 4.11Å; M38-W100 HydrophobicContact CB-CZ3 4.12Å; M38-W100 HydrophobicContact CG-CH2 3.56Å; M38-W100 HydrophobicContact CG-CZ3 3.61Å; M38-W100 HydrophobicContact SD-CE3 4.33Å; M38-W100 HydrophobicContact SD-CH2 3.98Å; M38-W100 HydrophobicContact SD-CZ3 3.42Å; M38-W100 WeakPolarHBondContact SD-CZ3 3.4Å; P39-W100 HydrophobicContact CG-CD2 4.13Å; P39-W100 HydrophobicContact CG-CG 4.14Å; P39-W100 HydrophobicContact CG-CZ2 4.41Å; A42-W100 HydrophobicContact CB-CB 3.8Å; A42-W100 HydrophobicContact CB-CD2 4.15Å; A42-W100 HydrophobicContact CB-CE3 4.05Å; A42-W100 HydrophobicContact CB-CG 4.08Å; M94-W100 WeakPolarHBondContact O-CZ3 3.38Å; K98-W100 HydrophobicContact CB-CD2 4.49Å; K98-W100 HydrophobicContact CB-CH2 4.2Å; K98-W100 HydrophobicContact CB-CZ2 3.77Å; K98-W100 HydrophobicContact CD-CZ2 4.4Å; K98-W100 HydrophobicContact CG-CH2 4.03Å; K98-W100 HydrophobicContact CG-CZ2 3.63Å; K98-W100 PolarHBondContact O-N 3.22Å
101	E	89	Confident	89.9	Confident	115 Å²	115	104.7 Å²	104.7	54%	0.537	54%	0.535	S	S	.	.	S	Bend	trans	-67.9	152.4	170.3	-69	179	-173.3	0	0	110.6	K98 P99	K98-E101 HydrophobicContact CB-CG 4.29Å; K98-E101 VanDerWaalsContact CD-OE1 3.31Å; K98-E101 WeakPolarHBondContact CD-OE1 3.29Å; K98-E101 PolarHBondContact O-N 3.29Å; K98-E101 VanDerWaalsContact O-N 3.11Å; P99-E101 VanDerWaalsContact C-N 3.28Å
102	P	88.7	Confident	89.7	Confident	117 Å²	117	114.2 Å²	114.2	76%	0.76	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-60.6	160.7	178.1	26.3	-34.8	0	0	0	111.7	V104	P102-V104 PolarHBondContact O-N 3.14Å
103	L	89.1	Confident	89.4	Confident	134 Å²	134	112.4 Å²	112.4	70%	0.702	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-54.7	129	179.3	-174	67	0	0	0	110.7	E105	L103-E105 WeakPolarHBondContact CD2-O 3.24Å; L103-E105 VanDerWaalsContact CG-O 3.24Å; L103-E105 WeakPolarHBondContact CG-O 3.15Å
104	V	88.9	Confident	88.8	Confident	141 Å²	141	118.2 Å²	118.2	86%	0.855	59%	0.586	S	S	*	*	S	Bend	trans	-65.6	-41.2	-177.3	-175.4	0	0	0	0	111.3	P102	P102-V104 PolarHBondContact O-N 3.14Å
105	E	89.8	Confident	88.5	Confident	159 Å²	159	121.3 Å²	121.3	74%	0.743	61%	0.609	S	S	*	*	S	Bend	trans	-140.7	131.3	179.9	-69.7	-177.6	173.3	0	0	111	L103	L103-E105 WeakPolarHBondContact CD2-O 3.24Å; L103-E105 VanDerWaalsContact CG-O 3.24Å; L103-E105 WeakPolarHBondContact CG-O 3.15Å
106	E	88.8	Confident	87.6	Confident	175 Å²	175	128.8 Å²	128.8	82%	0.818	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-70.2	144.1	171.3	-66.8	-169	171.9	0	0	110.9
107	P	90.1	Very high	87.4	Confident	61 Å²	61	128.7 Å²	128.7	40%	0.396	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-67.7	140	-179.8	28.3	-34.4	0	0	0	111.4	Q111	P107-Q111 HydrophobicContact CB-CB 4.4Å
108	P	89.8	Confident	87.2	Confident	80 Å²	80	126.6 Å²	126.6	52%	0.519	64%	0.641	S	S	.	*	P	Polyproline II helix	trans	-48.5	147.2	169.4	-21.1	11.1	0	0	0	113.9	N110 Q111	P108-N110 PolarHBondContact O-N 3.31Å; P108-Q111 WeakPolarHBondContact O-CB 3.42Å; P108-Q111 PolarHBondContact O-N 3.12Å; P108-Q111 VanDerWaalsContact O-N 3.12Å
109	P	85.8	Confident	87	Confident	121 Å²	121	128.2 Å²	128.2	79%	0.786	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	131.9	175.3	24.6	-32.5	0	0	0	110
110	N	84.9	Confident	86.8	Confident	129 Å²	129	131.5 Å²	131.5	69%	0.69	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.5	2.5	-174.9	-55.2	-34.8	0	0	0	118	P108 W112 K113	P108-N110 PolarHBondContact O-N 3.31Å; N110-W112 VanDerWaalsContact C-N 3.26Å; N110-W112 PolarHBondContact O-N 3.42Å; N110-K113 PolarHBondContact O-N 3.27Å
111	Q	89.6	Confident	86.7	Confident	104 Å²	104	135 Å²	135	49%	0.486	69%	0.687	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59.5	-35.3	177.1	179.9	168.1	-15.9	0	0	113.5	P107 P108	P107-Q111 HydrophobicContact CB-CB 4.4Å; P108-Q111 WeakPolarHBondContact O-CB 3.42Å; P108-Q111 PolarHBondContact O-N 3.12Å; P108-Q111 VanDerWaalsContact O-N 3.12Å
112	W	89.8	Confident	86.6	Confident	200 Å²	200	136.3 Å²	136.3	76%	0.758	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	15.8	-176.1	-52.8	114.7	0	0	0	113.9	N110	N110-W112 VanDerWaalsContact C-N 3.26Å; N110-W112 PolarHBondContact O-N 3.42Å
113	K	85.8	Confident	86.4	Confident	116 Å²	116	137.7 Å²	137.7	50%	0.504	69%	0.692	S	S	.	*			trans	-85.2	118	178	-173.9	-175.5	171	-154.5	0	110.2	N110 I116	N110-K113 PolarHBondContact O-N 3.27Å; K113-I116 WeakPolarHBondContact CE-OXT 3.34Å; K113-I116 PolarHBondContact NZ-OXT 2.68Å
114	W	81.8	Confident	86.2	Confident	225 Å²	225	138 Å²	138	85%	0.852	69%	0.692	S	S	*	*			trans	-144.7	133.9	174.9	-172.2	-100.1	0	0	0	112.2
115	P	86.1	Confident	86	Confident	98 Å²	98	137.8 Å²	137.8	64%	0.636	68%	0.678	S	S	*	*			cis	-73.1	167.3	-11	29.3	-30.1	0	0	0	112.6
116	I	69.3	Low	85.6	Confident	185 Å²	185	135.8 Å²	135.8	95%	0.949	67%	0.672	S	S	*	*			trans	-63.7	0	-175.9	-66.7	158.6	0	0	0	111.7	K113	K113-I116 WeakPolarHBondContact CE-OXT 3.34Å; K113-I116 PolarHBondContact NZ-OXT 2.68Å

Retrieved 116 of 116 residues in 381.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).