A0A087X993_POEFO Loading...

NADH dehydrogenase [ubiquinone] iron-sulfur protein 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 , UniProt , Accession A0A087X993, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 107 aa.

						>A0A087X993_POEFO|A0A087X993
IMPLVDIQSWLGINIDRWMLLQSGEQPYKQAARCHAFEKEWVECSHGIGQIRAKKECQLEFEDFFECMYRKKTRQRMHAIREQRDKLIKEGKYTPPAHHTGQPDQNP
					

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	I	56.3	Low	86.2	Confident	221 Å²	221	123.9 Å²	123.9	100%	1.133	64%	0.641	S	S	*	*				0	116.4	0	-64.8	165.4	0	0	0	106.2
2	M	66.9	Low	86.8	Confident	181 Å²	181	119.5 Å²	119.5	89%	0.892	65%	0.649	S	S	*	*			trans	-75.5	126.4	172.1	-70.5	-175.6	-71.3	0	0	108
3	P	88.6	Confident	87.5	Confident	107 Å²	107	117.3 Å²	117.3	70%	0.695	64%	0.635	S	S	*	*			trans	-68.1	142.6	177.7	28.2	-33.1	0	0	0	110.4	V5	P3-V5 HydrophobicContact CG-CG2 4.47Å; P3-V5 PolarHBondContact O-N 3.3Å
4	L	88.2	Confident	87.8	Confident	173 Å²	173	115.4 Å²	115.4	91%	0.906	62%	0.624	S	S	*	*			trans	-75.4	106	170.4	-177.6	68.3	0	0	0	108.6
5	V	91.7	Very high	88.1	Confident	104 Å²	104	115.5 Å²	115.5	63%	0.63	62%	0.622	S	S	*	*			trans	-97.5	105	174.9	-169.7	0	0	0	0	108.5	P3 I7	P3-V5 HydrophobicContact CG-CG2 4.47Å; P3-V5 PolarHBondContact O-N 3.3Å; V5-I7 HydrophobicContact CB-CG1 4.45Å; V5-I7 HydrophobicContact CG1-CD1 4.23Å; V5-I7 HydrophobicContact CG1-CG1 3.74Å; V5-I7 PolarHBondContact O-N 2.95Å
6	D	90.5	Very high	88.5	Confident	79 Å²	79	112.6 Å²	112.6	42%	0.422	61%	0.607	S	S	.	*			trans	-81.9	64.9	-175.8	-169.3	8.7	0	0	0	112.7	Q8 S9 W10 R17	D6-Q8 PolarHBondContact O-N 3.33Å; D6-S9 VanDerWaalsContact CG-CB 3.44Å; D6-S9 PolarHBondContact O-N 3.16Å; D6-S9 PolarHBondContact OD1-N 3.47Å; D6-S9 PolarHBondContact OD1-OG 2.74Å; D6-S9 WeakPolarHBondContact OD2-CB 3.39Å; D6-S9 PolarHBondContact OD2-OG 2.99Å; D6-W10 PolarHBondContact O-N 3.44Å; D6-R17 IonicContact OD1-NH2 3.04Å; D6-R17 PolarHBondContact OD1-NH2 3.39Å; D6-R17 IonicContact OD2-NH2 3.55Å
7	I	93.1	Very high	88.6	Confident	94 Å²	94	111.8 Å²	111.8	48%	0.482	59%	0.593	S	S	.	*	H	α-helix	trans	-62.9	-32.6	177.3	-60.1	175.4	0	0	0	110.8	V5 W10 L11	V5-I7 HydrophobicContact CB-CG1 4.45Å; V5-I7 HydrophobicContact CG1-CD1 4.23Å; V5-I7 HydrophobicContact CG1-CG1 3.74Å; V5-I7 PolarHBondContact O-N 2.95Å; I7-W10 PolarHBondContact O-N 3.38Å; I7-L11 HydrophobicContact CG2-CD1 3.52Å; I7-L11 HydrophobicContact CG2-CG 4.01Å; I7-L11 WeakPolarHBondContact O-CB 3.42Å; I7-L11 PolarHBondContact O-N 3.48Å
8	Q	93.3	Very high	88.7	Confident	35 Å²	35	113.9 Å²	113.9	16%	0.164	59%	0.592	C	S	.	*	H	α-helix	trans	-63.8	-45.1	-179.4	-70.1	-169.2	61.2	0	0	112.1	D6 G12 I13 I15 D16	D6-Q8 PolarHBondContact O-N 3.33Å; Q8-G12 WeakPolarHBondContact O-CA 3.36Å; Q8-G12 PolarHBondContact O-N 3.48Å; Q8-I13 WeakPolarHBondContact CB-O 3.49Å; Q8-I13 PolarHBondContact O-N 2.99Å; Q8-I15 HydrophobicContact CG-CD1 4.2Å; Q8-I15 HydrophobicContact CG-CG1 4.31Å; Q8-D16 VanDerWaalsContact CD-OD1 3.27Å; Q8-D16 PolarHBondContact NE2-OD1 2.96Å; Q8-D16 PolarHBondContact NE2-OD2 3.45Å; Q8-D16 PolarHBondContact OE1-OD1 3.17Å
9	S	92.1	Very high	88.9	Confident	62 Å²	62	114.1 Å²	114.1	43%	0.434	59%	0.591	S	S	.	*	H	α-helix	trans	-63.9	-42.5	173	-74.5	0	0	0	0	111.7	D6 G12 R17	D6-S9 VanDerWaalsContact CG-CB 3.44Å; D6-S9 PolarHBondContact O-N 3.16Å; D6-S9 PolarHBondContact OD1-N 3.47Å; D6-S9 PolarHBondContact OD1-OG 2.74Å; D6-S9 WeakPolarHBondContact OD2-CB 3.39Å; D6-S9 PolarHBondContact OD2-OG 2.99Å; S9-G12 PolarHBondContact O-N 2.73Å; S9-R17 VanDerWaalsContact N-NH2 3.12Å; S9-R17 PolarHBondContact OG-NH1 3.15Å; S9-R17 PolarHBondContact OG-NH2 3Å
10	W	92.6	Very high	89.1	Confident	213 Å²	213	114.5 Å²	114.5	81%	0.807	59%	0.593	S	S	*	*	H	α-helix	trans	-67.3	-41.5	-173.8	-177.6	55	0	0	0	112.8	D6 I7	D6-W10 PolarHBondContact O-N 3.44Å; I7-W10 PolarHBondContact O-N 3.38Å
11	L	95.2	Very high	89.4	Confident	94 Å²	94	112.1 Å²	112.1	49%	0.492	58%	0.581	S	S	.	*	H	α-helix	trans	-89.9	-8.1	178.8	-61.9	-179.5	0	0	0	113.6	I7 I13	I7-L11 HydrophobicContact CG2-CD1 3.52Å; I7-L11 HydrophobicContact CG2-CG 4.01Å; I7-L11 WeakPolarHBondContact O-CB 3.42Å; I7-L11 PolarHBondContact O-N 3.48Å; L11-I13 VanDerWaalsContact C-N 3.27Å; L11-I13 HydrophobicContact CB-CD1 3.86Å; L11-I13 HydrophobicContact CB-CG1 3.96Å; L11-I13 HydrophobicContact CD1-CD1 4.12Å; L11-I13 PolarHBondContact O-N 3.27Å
12	G	93.7	Very high	91.1	Very high	71 Å²	71	105.1 Å²	105.1	73%	0.732	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	23.9	-176.9	0	0	0	0	0	114.3	Q8 S9	Q8-G12 WeakPolarHBondContact O-CA 3.36Å; Q8-G12 PolarHBondContact O-N 3.48Å; S9-G12 PolarHBondContact O-N 2.73Å
13	I	95.1	Very high	92.4	Very high	91 Å²	91	97.6 Å²	97.6	47%	0.467	51%	0.509	S	S	.	.			trans	-97.5	135.7	-179	-56.3	171.2	0	0	0	108.9	Q8 L11 I15	Q8-I13 WeakPolarHBondContact CB-O 3.49Å; Q8-I13 PolarHBondContact O-N 2.99Å; L11-I13 VanDerWaalsContact C-N 3.27Å; L11-I13 HydrophobicContact CB-CD1 3.86Å; L11-I13 HydrophobicContact CB-CG1 3.96Å; L11-I13 HydrophobicContact CD1-CD1 4.12Å; L11-I13 PolarHBondContact O-N 3.27Å; I13-I15 HydrophobicContact CG2-CG1 3.87Å
14	N	92.3	Very high	92.6	Very high	90 Å²	90	93.9 Å²	93.9	48%	0.481	49%	0.49	S	S	.	.			trans	-102.9	100.8	174.9	-174.7	-8.4	0	0	0	110.1	R17 W18	N14-R17 WeakPolarHBondContact OD1-CB 3Å; N14-R17 PolarHBondContact OD1-N 2.93Å; N14-W18 PolarHBondContact OD1-N 3.4Å
15	I	92.7	Very high	92.8	Very high	117 Å²	117	94.6 Å²	94.6	60%	0.6	49%	0.489	S	S	*	.	S	Bend	trans	-94.5	-47.2	178.3	-56.4	177.3	0	0	0	110	Q8 I13 W18	Q8-I15 HydrophobicContact CG-CD1 4.2Å; Q8-I15 HydrophobicContact CG-CG1 4.31Å; I13-I15 HydrophobicContact CG2-CG1 3.87Å; I15-W18 PolarHBondContact O-NE1 3Å; I15-W18 VanDerWaalsContact O-NE1 3.07Å
16	D	93.1	Very high	92.9	Very high	70 Å²	70	93.2 Å²	93.2	37%	0.374	48%	0.475	S	S	.	.	S	Bend	trans	-127.9	-14.1	-172.9	61.3	2.4	0	0	0	114.7	Q8 W18 M19	Q8-D16 VanDerWaalsContact CD-OD1 3.27Å; Q8-D16 PolarHBondContact NE2-OD1 2.96Å; Q8-D16 PolarHBondContact NE2-OD2 3.45Å; Q8-D16 PolarHBondContact OE1-OD1 3.17Å; D16-W18 PolarHBondContact O-N 3.03Å; D16-W18 VanDerWaalsContact O-N 3.16Å; D16-M19 PolarHBondContact O-N 3.24Å
17	R	91.4	Very high	93.1	Very high	99 Å²	99	93.7 Å²	93.7	37%	0.374	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-61.3	-30.4	-173.3	-61.2	-178.5	177.4	-172.1	-5	113.8	D6 S9 N14 M19 L20	D6-R17 IonicContact OD1-NH2 3.04Å; D6-R17 PolarHBondContact OD1-NH2 3.39Å; D6-R17 IonicContact OD2-NH2 3.55Å; S9-R17 VanDerWaalsContact N-NH2 3.12Å; S9-R17 PolarHBondContact OG-NH1 3.15Å; S9-R17 PolarHBondContact OG-NH2 3Å; N14-R17 WeakPolarHBondContact OD1-CB 3Å; N14-R17 PolarHBondContact OD1-N 2.93Å; R17-M19 PolarHBondContact O-N 3.45Å; R17-L20 HydrophobicContact CB-CD1 4.36Å; R17-L20 HydrophobicContact CG-CD1 4.38Å; R17-L20 PolarHBondContact O-N 3.35Å
18	W	90.8	Very high	93.2	Very high	150 Å²	150	100 Å²	100	57%	0.568	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-62.6	-19.3	178.1	65.1	-86.6	0	0	0	113.7	N14 I15 D16	N14-W18 PolarHBondContact OD1-N 3.4Å; I15-W18 PolarHBondContact O-NE1 3Å; I15-W18 VanDerWaalsContact O-NE1 3.07Å; D16-W18 PolarHBondContact O-N 3.03Å; D16-W18 VanDerWaalsContact O-N 3.16Å
19	M	92	Very high	93.3	Very high	116 Å²	116	107.8 Å²	107.8	57%	0.571	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-96.9	-6.2	178.6	-68.8	-174.9	-74.3	0	0	114.6	D16 R17	D16-M19 PolarHBondContact O-N 3.24Å; R17-M19 PolarHBondContact O-N 3.45Å
20	L	92.6	Very high	93.4	Very high	122 Å²	122	111.9 Å²	111.9	64%	0.639	55%	0.548	S	S	*	.	S	Bend	trans	-75.6	-32	-167.9	-66.5	177.9	0	0	0	114	R17	R17-L20 HydrophobicContact CB-CD1 4.36Å; R17-L20 HydrophobicContact CG-CD1 4.38Å; R17-L20 PolarHBondContact O-N 3.35Å
21	L	94.3	Very high	93.5	Very high	66 Å²	66	105 Å²	105	35%	0.346	54%	0.537	S	S	.	.			trans	-117.3	130.5	-174.8	-63	176.9	0	0	0	109.9	S23 G24 V42	L21-S23 PolarHBondContact O-N 3.02Å; L21-G24 PolarHBondContact O-N 3.35Å; L21-G24 VanDerWaalsContact O-N 3.16Å; L21-V42 HydrophobicContact CD1-CG1 4.31Å; L21-V42 HydrophobicContact CD2-CG2 3.8Å
22	Q	93.7	Very high	93.5	Very high	73 Å²	73	101.9 Å²	101.9	34%	0.341	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.1	171.8	-30.7	171.4	2.7	0	0	110.8	G24 A32 E38	Q22-G24 PolarHBondContact O-N 3.25Å; Q22-A32 HydrophobicContact CB-CB 3.7Å; Q22-E38 VanDerWaalsContact C-OE2 3.3Å; Q22-E38 WeakPolarHBondContact CA-OE2 3.37Å; Q22-E38 WeakPolarHBondContact CB-OE2 3.43Å; Q22-E38 WeakPolarHBondContact CG-OE2 3.45Å; Q22-E38 PolarHBondContact N-OE1 3.09Å; Q22-E38 PolarHBondContact N-OE2 3.31Å
23	S	94.1	Very high	93.6	Very high	23 Å²	23	108.8 Å²	108.8	16%	0.161	53%	0.528	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7	170.9	67.8	0	0	0	0	114.5	L21 H35 E38	L21-S23 PolarHBondContact O-N 3.02Å; S23-H35 WeakPolarHBondContact CA-ND1 3.3Å; S23-H35 PolarHBondContact O-CE1 2.96Å; S23-H35 VanDerWaalsContact O-CE1 3.27Å; S23-E38 PolarHBondContact N-OE2 3.06Å
24	G	92.1	Very high	93.7	Very high	29 Å²	29	104.7 Å²	104.7	30%	0.299	51%	0.508	S	S	.	.	S	Bend	trans	-69.4	178.3	176.8	0	0	0	0	0	113.8	L21 Q22 Q26	L21-G24 PolarHBondContact O-N 3.35Å; L21-G24 VanDerWaalsContact O-N 3.16Å; Q22-G24 PolarHBondContact O-N 3.25Å; G24-Q26 PolarHBondContact O-N 2.93Å
25	E	92.6	Very high	93.9	Very high	188 Å²	188	103.1 Å²	103.1	88%	0.879	50%	0.497	S	S	*	.			trans	-65.6	122	175.8	-172	172.2	-173.4	0	0	110.5
26	Q	94.3	Very high	94.1	Very high	75 Å²	75	100.2 Å²	100.2	35%	0.35	49%	0.49	S	S	.	.			trans	-111.4	150.1	177	-66.9	-62.5	-53.3	0	0	110.2	G24 Y28 K29 Q30	G24-Q26 PolarHBondContact O-N 2.93Å; Q26-Y28 PolarHBondContact O-N 3.42Å; Q26-K29 PolarHBondContact O-N 3.03Å; Q26-Q30 WeakPolarHBondContact CB-O 3.34Å
27	P	94.9	Very high	94.3	Very high	90 Å²	90	100.5 Å²	100.5	58%	0.584	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-49.9	138.1	171.3	-25.6	34.2	0	0	0	111.2	K29 Q30	P27-K29 PolarHBondContact O-N 3.47Å; P27-K29 VanDerWaalsContact O-N 3.1Å; P27-Q30 PolarHBondContact O-N 2.89Å
28	Y	95.3	Very high	94.6	Very high	226 Å²	226	96.3 Å²	96.3	89%	0.886	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	59.1	18.9	-179.1	-47.5	-76.2	0	0	0	115.3	Q26 Q30	Q26-Y28 PolarHBondContact O-N 3.42Å; Y28-Q30 PolarHBondContact O-N 3.48Å
29	K	94.6	Very high	94.9	Very high	198 Å²	198	93.7 Å²	93.7	86%	0.861	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	55.8	31	-177.3	-55.5	-179.3	178.2	-179.6	0	112.7	Q26 P27 A31	Q26-K29 PolarHBondContact O-N 3.03Å; P27-K29 PolarHBondContact O-N 3.47Å; P27-K29 VanDerWaalsContact O-N 3.1Å; K29-A31 PolarHBondContact O-N 2.92Å
30	Q	94.6	Very high	95.2	Very high	148 Å²	148	93 Å²	93	69%	0.692	46%	0.461	S	S	*	.			trans	-71.9	113.8	179.8	-172.6	175.3	-4.7	0	0	110	Q26 P27 Y28	Q26-Q30 WeakPolarHBondContact CB-O 3.34Å; P27-Q30 PolarHBondContact O-N 2.89Å; Y28-Q30 PolarHBondContact O-N 3.48Å
31	A	94.4	Very high	95.4	Very high	69 Å²	69	90.6 Å²	90.6	57%	0.57	44%	0.444	S	S	*	.			trans	-75.2	137.9	178.6	0	0	0	0	0	111.5	K29 H35	K29-A31 PolarHBondContact O-N 2.92Å; A31-H35 HydrophobicContact CB-CB 4.31Å
32	A	95	Very high	95.5	Very high	29 Å²	29	89 Å²	89	24%	0.24	44%	0.437	C	S	.	.			trans	-66	154.9	168.6	0	0	0	0	0	111.2	Q22 C34 H35	Q22-A32 HydrophobicContact CB-CB 3.7Å; A32-C34 PolarHBondContact O-N 3.48Å; A32-C34 VanDerWaalsContact O-N 3.15Å; A32-H35 HydrophobicContact CB-CB 4.27Å; A32-H35 VanDerWaalsContact O-CB 3.24Å; A32-H35 WeakPolarHBondContact O-CB 3.31Å; A32-H35 PolarHBondContact O-N 3.07Å; A32-H35 VanDerWaalsContact O-N 3.1Å
33	R	95.3	Very high	95.7	Very high	216 Å²	216	91.3 Å²	91.3	82%	0.815	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.6	-179.6	-68.8	178.8	66.5	-166.9	1.3	113.5
34	C	97.3	Very high	95.8	Very high	4 Å²	4	92.2 Å²	92.2	3%	0.027	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	23.2	-179.2	-60	0	0	0	0	112.4	A32 A36 F37 E38 F64 C67 M68	A32-C34 PolarHBondContact O-N 3.48Å; A32-C34 VanDerWaalsContact O-N 3.15Å; C34-A36 VanDerWaalsContact C-N 3.33Å; C34-A36 PolarHBondContact O-N 3.3Å; C34-F37 PolarHBondContact O-N 2.98Å; C34-E38 PolarHBondContact O-N 3.37Å; C34-F64 HydrophobicContact CB-CD2 4.11Å; C34-F64 HydrophobicContact CB-CE2 3.99Å; C34-C67 WeakPolarHBondContact CA-SG 3.41Å; C34-C67 HydrophobicContact CB-CB 3.89Å; C34-C67 WeakPolarHBondContact CB-SG 3.35Å; C34-C67 WeakPolarHBondContact SG-CB 3.39Å; C34-C67 PolarHBondContact SG-O 3.06Å; C34-C67 CovalentContact SG-SG 2.04Å; C34-C67 PolarHBondContact SG-SG 3.45Å; C34-M68 HydrophobicContact CB-CG 4.47Å; C34-M68 HydrophobicContact CB-SD 4.09Å
35	H	96.9	Very high	96	Very high	58 Å²	58	92.2 Å²	92.2	27%	0.269	45%	0.449	S	S	.	.	H	α-helix	trans	-52.2	-47	-176.6	176.3	94.1	0	0	0	113.1	S23 A31 A32 K39	S23-H35 WeakPolarHBondContact CA-ND1 3.3Å; S23-H35 PolarHBondContact O-CE1 2.96Å; S23-H35 VanDerWaalsContact O-CE1 3.27Å; A31-H35 HydrophobicContact CB-CB 4.31Å; A32-H35 HydrophobicContact CB-CB 4.27Å; A32-H35 VanDerWaalsContact O-CB 3.24Å; A32-H35 WeakPolarHBondContact O-CB 3.31Å; A32-H35 PolarHBondContact O-N 3.07Å; A32-H35 VanDerWaalsContact O-N 3.1Å; H35-K39 VanDerWaalsContact O-CB 3.27Å; H35-K39 WeakPolarHBondContact O-CB 3.47Å; H35-K39 PolarHBondContact O-N 3.47Å
36	A	97.2	Very high	96.2	Very high	55 Å²	55	90.6 Å²	90.6	46%	0.455	44%	0.441	S	S	.	.	H	α-helix	trans	-62.7	-48.6	-178.4	0	0	0	0	0	112.1	C34 K39 E40	C34-A36 VanDerWaalsContact C-N 3.33Å; C34-A36 PolarHBondContact O-N 3.3Å; A36-K39 PolarHBondContact O-N 3.41Å; A36-E40 WeakPolarHBondContact O-CG 3.05Å; A36-E40 PolarHBondContact O-N 3.5Å
37	F	97.8	Very high	96.2	Very high	77 Å²	77	90.8 Å²	90.8	34%	0.338	46%	0.463	S	S	.	.	H	α-helix	trans	-66.6	-39.7	-179.3	-61.2	-69.9	0	0	0	112.7	C34 K39 W41 D63 F64 C67	C34-F37 PolarHBondContact O-N 2.98Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-W41 WeakPolarHBondContact O-CB 3.34Å; F37-W41 PolarHBondContact O-N 3.48Å; F37-D63 HydrophobicContact CD1-CB 3.91Å; F37-D63 HydrophobicContact CE1-CB 4.2Å; F37-F64 HydrophobicContact CB-CB 4.03Å; F37-F64 HydrophobicContact CB-CD2 4.15Å; F37-C67 HydrophobicContact CD2-CB 3.65Å; F37-C67 HydrophobicContact CE2-CB 4.04Å; F37-C67 HydrophobicContact CG-CB 4.33Å
38	E	97.4	Very high	96.2	Very high	10 Å²	10	88.5 Å²	88.5	5%	0.047	45%	0.445	C	S	.	.	H	α-helix	trans	-64	-42.7	175.3	-169.4	-178.6	-166.3	0	0	111	Q22 S23 C34 W41 V42 F64	Q22-E38 VanDerWaalsContact C-OE2 3.3Å; Q22-E38 WeakPolarHBondContact CA-OE2 3.37Å; Q22-E38 WeakPolarHBondContact CB-OE2 3.43Å; Q22-E38 WeakPolarHBondContact CG-OE2 3.45Å; Q22-E38 PolarHBondContact N-OE1 3.09Å; Q22-E38 PolarHBondContact N-OE2 3.31Å; S23-E38 PolarHBondContact N-OE2 3.06Å; C34-E38 PolarHBondContact O-N 3.37Å; E38-W41 PolarHBondContact O-N 3.35Å; E38-V42 HydrophobicContact CG-CG2 4.41Å; E38-V42 WeakPolarHBondContact O-CB 3.48Å; E38-V42 VanDerWaalsContact O-CG2 3.26Å; E38-V42 WeakPolarHBondContact O-CG2 3.37Å; E38-V42 PolarHBondContact O-N 2.94Å; E38-F64 HydrophobicContact CB-CD2 3.83Å; E38-F64 HydrophobicContact CB-CE2 3.54Å; E38-F64 HydrophobicContact CB-CZ 4.06Å; E38-F64 HydrophobicContact CG-CE1 4.48Å; E38-F64 HydrophobicContact CG-CE2 3.94Å; E38-F64 HydrophobicContact CG-CZ 3.91Å
39	K	97.4	Very high	96.1	Very high	95 Å²	95	79.7 Å²	79.7	41%	0.413	42%	0.424	S	S	.	.	H	α-helix	trans	-60.7	-49	178	-177.5	179.8	172.2	-177	0	111.6	H35 A36 F37 W41 V42 E43	H35-K39 VanDerWaalsContact O-CB 3.27Å; H35-K39 WeakPolarHBondContact O-CB 3.47Å; H35-K39 PolarHBondContact O-N 3.47Å; A36-K39 PolarHBondContact O-N 3.41Å; F37-K39 VanDerWaalsContact C-N 3.34Å; K39-W41 VanDerWaalsContact C-N 3.34Å; K39-W41 PolarHBondContact O-N 3.34Å; K39-V42 PolarHBondContact O-N 2.95Å; K39-E43 WeakPolarHBondContact CE-OE1 3.26Å; K39-E43 HydrophobicContact CG-CG 4.38Å; K39-E43 IonicContact NZ-OE1 3.02Å; K39-E43 WeakPolarHBondContact O-CB 3.32Å; K39-E43 VanDerWaalsContact O-CG 3.31Å; K39-E43 WeakPolarHBondContact O-CG 3.5Å; K39-E43 PolarHBondContact O-N 3.34Å
40	E	97.3	Very high	96.1	Very high	101 Å²	101	77.2 Å²	77.2	47%	0.472	42%	0.415	S	S	.	.	H	α-helix	trans	-59.8	-43.3	177.6	-73.6	175	179.4	0	0	112	A36 E43 C44	A36-E40 WeakPolarHBondContact O-CG 3.05Å; A36-E40 PolarHBondContact O-N 3.5Å; E40-E43 PolarHBondContact O-N 3.41Å; E40-C44 WeakPolarHBondContact O-CB 3.33Å; E40-C44 PolarHBondContact O-N 3.02Å
41	W	97.3	Very high	96.1	Very high	72 Å²	72	77.1 Å²	77.1	27%	0.273	42%	0.418	S	S	.	.	H	α-helix	trans	-64.1	-42.9	177	171.3	61.8	0	0	0	112.8	F37 E38 K39 S45 E60 F61 F64	F37-W41 WeakPolarHBondContact O-CB 3.34Å; F37-W41 PolarHBondContact O-N 3.48Å; E38-W41 PolarHBondContact O-N 3.35Å; K39-W41 VanDerWaalsContact C-N 3.34Å; K39-W41 PolarHBondContact O-N 3.34Å; W41-S45 VanDerWaalsContact O-CB 3.31Å; W41-S45 WeakPolarHBondContact O-CB 3.43Å; W41-S45 PolarHBondContact O-N 2.7Å; W41-S45 PolarHBondContact O-OG 3.14Å; W41-E60 HydrophobicContact CB-CB 4.1Å; W41-F61 HydrophobicContact CD2-CD2 4.28Å; W41-F61 AromaticContact CE2-CD2 3.71Å; W41-F61 HydrophobicContact CZ2-CD2 4.02Å; W41-F61 HydrophobicContact CZ2-CE2 4.32Å; W41-F61 AromaticContact NE1-CD2 3.61Å; W41-F64 HydrophobicContact CE3-CD1 4.24Å; W41-F64 HydrophobicContact CE3-CE1 4.4Å; W41-F64 HydrophobicContact CZ3-CE1 4.48Å
42	V	96.6	Very high	96.2	Very high	34 Å²	34	80 Å²	80	21%	0.206	41%	0.414	C	S	.	.	H	α-helix	trans	-65.3	-44.1	176.8	170.8	0	0	0	0	110.7	L21 E38 K39 S45 H46	L21-V42 HydrophobicContact CD1-CG1 4.31Å; L21-V42 HydrophobicContact CD2-CG2 3.8Å; E38-V42 HydrophobicContact CG-CG2 4.41Å; E38-V42 WeakPolarHBondContact O-CB 3.48Å; E38-V42 VanDerWaalsContact O-CG2 3.26Å; E38-V42 WeakPolarHBondContact O-CG2 3.37Å; E38-V42 PolarHBondContact O-N 2.94Å; K39-V42 PolarHBondContact O-N 2.95Å; V42-S45 PolarHBondContact O-N 3.36Å; V42-S45 PolarHBondContact O-OG 2.97Å; V42-H46 WeakPolarHBondContact O-CB 3.45Å; V42-H46 PolarHBondContact O-N 3.49Å
43	E	96.6	Very high	96.3	Very high	120 Å²	120	79.2 Å²	79.2	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-64.1	-41.1	178.6	-74.4	176.1	170.8	0	0	111.8	K39 E40	K39-E43 WeakPolarHBondContact CE-OE1 3.26Å; K39-E43 HydrophobicContact CG-CG 4.38Å; K39-E43 IonicContact NZ-OE1 3.02Å; K39-E43 WeakPolarHBondContact O-CB 3.32Å; K39-E43 VanDerWaalsContact O-CG 3.31Å; K39-E43 WeakPolarHBondContact O-CG 3.5Å; K39-E43 PolarHBondContact O-N 3.34Å; E40-E43 PolarHBondContact O-N 3.41Å
44	C	97.1	Very high	96.3	Very high	42 Å²	42	75.6 Å²	75.6	28%	0.284	40%	0.398	S	S	.	.	H	α-helix	trans	-65.1	-45.8	174.8	-176.6	0	0	0	0	112.1	E40 H46 C57 E60	E40-C44 WeakPolarHBondContact O-CB 3.33Å; E40-C44 PolarHBondContact O-N 3.02Å; C44-H46 VanDerWaalsContact C-N 3.3Å; C44-H46 PolarHBondContact O-N 3.04Å; C44-C57 HydrophobicContact CB-CB 3.85Å; C44-C57 WeakPolarHBondContact CB-SG 3.44Å; C44-C57 PolarHBondContact O-SG 2.98Å; C44-C57 VanDerWaalsContact SG-CA 3.57Å; C44-C57 WeakPolarHBondContact SG-CB 3.46Å; C44-C57 CovalentContact SG-SG 2.04Å; C44-C57 PolarHBondContact SG-SG 2.87Å; C44-E60 HydrophobicContact CB-CG 4.33Å
45	S	96.9	Very high	96.3	Very high	29 Å²	29	83.5 Å²	83.5	20%	0.203	43%	0.432	C	S	.	.	H	α-helix	trans	-82	-6.6	-173.1	62.6	0	0	0	0	114.3	W41 V42 G47 I48	W41-S45 VanDerWaalsContact O-CB 3.31Å; W41-S45 WeakPolarHBondContact O-CB 3.43Å; W41-S45 PolarHBondContact O-N 2.7Å; W41-S45 PolarHBondContact O-OG 3.14Å; V42-S45 PolarHBondContact O-N 3.36Å; V42-S45 PolarHBondContact O-OG 2.97Å; S45-G47 PolarHBondContact O-N 2.96Å; S45-I48 WeakPolarHBondContact O-CG1 3.47Å
46	H	95.9	Very high	96.2	Very high	154 Å²	154	85.7 Å²	85.7	71%	0.713	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	126.5	-179.3	-167.6	73.4	0	0	0	111.7	V42 C44 I48	V42-H46 WeakPolarHBondContact O-CB 3.45Å; V42-H46 PolarHBondContact O-N 3.49Å; C44-H46 VanDerWaalsContact C-N 3.3Å; C44-H46 PolarHBondContact O-N 3.04Å; H46-I48 VanDerWaalsContact C-N 3.25Å; H46-I48 PolarHBondContact O-N 3.49Å; H46-I48 VanDerWaalsContact O-N 3.12Å
47	G	94.1	Very high	96.2	Very high	79 Å²	79	83.1 Å²	83.1	81%	0.814	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-14.4	171.8	0	0	0	0	0	117	S45	S45-G47 PolarHBondContact O-N 2.96Å
48	I	95	Very high	96.2	Very high	42 Å²	42	84.2 Å²	84.2	22%	0.215	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-12.9	-178.9	61.6	171.4	0	0	0	114.2	S45 H46 R52 A53 E56	S45-I48 WeakPolarHBondContact O-CG1 3.47Å; H46-I48 VanDerWaalsContact C-N 3.25Å; H46-I48 PolarHBondContact O-N 3.49Å; H46-I48 VanDerWaalsContact O-N 3.12Å; I48-R52 HydrophobicContact CB-CB 4.44Å; I48-A53 HydrophobicContact CD1-CB 3.82Å; I48-A53 HydrophobicContact CG1-CB 4.01Å; I48-E56 HydrophobicContact CD1-CB 4.38Å
49	G	94.3	Very high	96.2	Very high	42 Å²	42	89.2 Å²	89.2	43%	0.433	45%	0.454	S	S	.	.			trans	79.1	155.5	-178.5	0	0	0	0	0	113.9	I51 R52 A53	G49-I51 VanDerWaalsContact C-N 3.31Å; G49-I51 PolarHBondContact O-N 3.32Å; G49-R52 PolarHBondContact O-N 2.91Å; G49-A53 WeakPolarHBondContact O-CB 3.48Å; G49-A53 PolarHBondContact O-N 2.98Å
50	Q	93.2	Very high	96.2	Very high	145 Å²	145	87.1 Å²	87.1	68%	0.678	45%	0.445	S	S	*	.	H	α-helix	trans	-61.5	-34.6	-168.9	-164.9	-172.8	18.9	0	0	113.9	K54	Q50-K54 WeakPolarHBondContact O-CG 3.46Å; Q50-K54 PolarHBondContact O-N 3.27Å
51	I	95.8	Very high	96.2	Very high	147 Å²	147	86.4 Å²	86.4	75%	0.754	44%	0.441	S	S	*	.	H	α-helix	trans	-66.5	-44.2	-176.2	-60.4	174.4	0	0	0	110.7	G49	G49-I51 VanDerWaalsContact C-N 3.31Å; G49-I51 PolarHBondContact O-N 3.32Å
52	R	96.1	Very high	96.3	Very high	128 Å²	128	86.9 Å²	86.9	48%	0.483	45%	0.446	S	S	.	.	H	α-helix	trans	-76.3	-42.5	178.4	-70.8	-179.1	60.3	-153.3	-9.1	111.5	I48 G49 K54 K55 E56	I48-R52 HydrophobicContact CB-CB 4.44Å; G49-R52 PolarHBondContact O-N 2.91Å; R52-K54 PolarHBondContact O-N 3.1Å; R52-K54 VanDerWaalsContact O-N 3.15Å; R52-K55 PolarHBondContact O-N 3.15Å; R52-E56 IonicContact CZ-OE1 2.85Å; R52-E56 VanDerWaalsContact CZ-OE1 3.3Å; R52-E56 IonicContact CZ-OE2 2.99Å; R52-E56 IonicContact NE-OE1 3.54Å; R52-E56 PolarHBondContact NE-OE1 2.99Å; R52-E56 IonicContact NE-OE2 3.3Å; R52-E56 VanDerWaalsContact NH2-CD 3.3Å; R52-E56 IonicContact NH2-OE1 2.75Å; R52-E56 PolarHBondContact NH2-OE1 2.99Å; R52-E56 IonicContact NH2-OE2 3.72Å; R52-E56 PolarHBondContact NH2-OE2 3.27Å; R52-E56 PolarHBondContact O-N 3.3Å
53	A	96.7	Very high	96.3	Very high	14 Å²	14	88.3 Å²	88.3	12%	0.116	45%	0.452	C	S	.	.	H	α-helix	trans	-54.8	-35.4	178.2	0	0	0	0	0	113.4	I48 G49 K55 C57	I48-A53 HydrophobicContact CD1-CB 3.82Å; I48-A53 HydrophobicContact CG1-CB 4.01Å; G49-A53 WeakPolarHBondContact O-CB 3.48Å; G49-A53 PolarHBondContact O-N 2.98Å; A53-K55 PolarHBondContact O-N 3.22Å; A53-C57 WeakPolarHBondContact O-CA 3.46Å; A53-C57 WeakPolarHBondContact O-CB 3.41Å; A53-C57 PolarHBondContact O-N 2.99Å
54	K	95.1	Very high	96.4	Very high	139 Å²	139	83.8 Å²	83.8	60%	0.604	43%	0.431	S	S	*	.	H	α-helix	trans	-61.3	-26.4	175.9	-79.3	176.7	179.5	-179	0	114.4	Q50 R52	Q50-K54 WeakPolarHBondContact O-CG 3.46Å; Q50-K54 PolarHBondContact O-N 3.27Å; R52-K54 PolarHBondContact O-N 3.1Å; R52-K54 VanDerWaalsContact O-N 3.15Å
55	K	96.8	Very high	96.4	Very high	171 Å²	171	86.3 Å²	86.3	74%	0.743	44%	0.437	S	S	*	.	H	α-helix	trans	-104.1	-45.1	-178.6	-64.5	-174.6	179.5	-177	0	111.8	R52 A53	R52-K55 PolarHBondContact O-N 3.15Å; A53-K55 PolarHBondContact O-N 3.22Å
56	E	96.2	Very high	96.4	Very high	103 Å²	103	86.6 Å²	86.6	48%	0.481	44%	0.435	S	S	.	.	H	α-helix	trans	-76.2	-38.7	-174.6	-68.5	174.6	-148.3	0	0	111.9	I48 R52	I48-E56 HydrophobicContact CD1-CB 4.38Å; R52-E56 IonicContact CZ-OE1 2.85Å; R52-E56 VanDerWaalsContact CZ-OE1 3.3Å; R52-E56 IonicContact CZ-OE2 2.99Å; R52-E56 IonicContact NE-OE1 3.54Å; R52-E56 PolarHBondContact NE-OE1 2.99Å; R52-E56 IonicContact NE-OE2 3.3Å; R52-E56 VanDerWaalsContact NH2-CD 3.3Å; R52-E56 IonicContact NH2-OE1 2.75Å; R52-E56 PolarHBondContact NH2-OE1 2.99Å; R52-E56 IonicContact NH2-OE2 3.72Å; R52-E56 PolarHBondContact NH2-OE2 3.27Å; R52-E56 PolarHBondContact O-N 3.3Å
57	C	97.6	Very high	96.5	Very high	1 Å²	1	79.5 Å²	79.5	1%	0.007	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	30.9	-179.4	-56.1	0	0	0	0	112.5	C44 A53 L59 E60 F61	C44-C57 HydrophobicContact CB-CB 3.85Å; C44-C57 WeakPolarHBondContact CB-SG 3.44Å; C44-C57 PolarHBondContact O-SG 2.98Å; C44-C57 VanDerWaalsContact SG-CA 3.57Å; C44-C57 WeakPolarHBondContact SG-CB 3.46Å; C44-C57 CovalentContact SG-SG 2.04Å; C44-C57 PolarHBondContact SG-SG 2.87Å; A53-C57 WeakPolarHBondContact O-CA 3.46Å; A53-C57 WeakPolarHBondContact O-CB 3.41Å; A53-C57 PolarHBondContact O-N 2.99Å; C57-L59 VanDerWaalsContact C-N 3.32Å; C57-E60 WeakPolarHBondContact CA-OE2 3.33Å; C57-F61 WeakPolarHBondContact O-CB 3.24Å; C57-F61 PolarHBondContact O-N 3.05Å
58	Q	97.4	Very high	96.6	Very high	100 Å²	100	79.9 Å²	79.9	47%	0.467	39%	0.385	S	S	.	.	H	α-helix	trans	-66.6	-37.7	-175.8	-177.8	177.4	-14	0	0	111.3	F61 E62	Q58-F61 PolarHBondContact O-N 3.26Å; Q58-E62 HydrophobicContact CG-CG 4.41Å; Q58-E62 PolarHBondContact NE2-OE1 3.43Å; Q58-E62 WeakPolarHBondContact O-CB 3.28Å; Q58-E62 WeakPolarHBondContact O-CG 3.44Å; Q58-E62 PolarHBondContact O-N 3.29Å
59	L	97.6	Very high	96.7	Very high	116 Å²	116	84.2 Å²	84.2	61%	0.607	40%	0.399	S	S	*	.	H	α-helix	trans	-67.4	-48.5	-175.6	-175.5	135.5	0	0	0	111.3	C57 F61 E62 D63	C57-L59 VanDerWaalsContact C-N 3.32Å; L59-F61 VanDerWaalsContact C-N 3.28Å; L59-F61 PolarHBondContact O-N 3.44Å; L59-E62 PolarHBondContact O-N 3.29Å; L59-E62 VanDerWaalsContact O-N 3.14Å; L59-D63 PolarHBondContact O-N 3.06Å
60	E	97.4	Very high	96.8	Very high	50 Å²	50	86.6 Å²	86.6	23%	0.234	40%	0.395	C	S	.	.	H	α-helix	trans	-61.1	-39.8	177.6	-59.9	77.7	-175.6	0	0	110.8	W41 C44 C57 D63 F64	W41-E60 HydrophobicContact CB-CB 4.1Å; C44-E60 HydrophobicContact CB-CG 4.33Å; C57-E60 WeakPolarHBondContact CA-OE2 3.33Å; E60-D63 PolarHBondContact O-N 3.02Å; E60-F64 WeakPolarHBondContact O-CB 3.31Å; E60-F64 PolarHBondContact O-N 2.04Å
61	F	97.2	Very high	97.1	Very high	86 Å²	86	85.7 Å²	85.7	38%	0.377	39%	0.389	S	S	.	.	H	α-helix	trans	-65.6	-42.9	175.1	-178.8	-107.5	0	0	0	112.4	W41 C57 Q58 L59 D63 F64 F65	W41-F61 HydrophobicContact CD2-CD2 4.28Å; W41-F61 AromaticContact CE2-CD2 3.71Å; W41-F61 HydrophobicContact CZ2-CD2 4.02Å; W41-F61 HydrophobicContact CZ2-CE2 4.32Å; W41-F61 AromaticContact NE1-CD2 3.61Å; C57-F61 WeakPolarHBondContact O-CB 3.24Å; C57-F61 PolarHBondContact O-N 3.05Å; Q58-F61 PolarHBondContact O-N 3.26Å; L59-F61 VanDerWaalsContact C-N 3.28Å; L59-F61 PolarHBondContact O-N 3.44Å; F61-D63 VanDerWaalsContact C-N 3.33Å; F61-D63 PolarHBondContact O-N 3.34Å; F61-F64 PolarHBondContact O-N 2.86Å; F61-F65 HydrophobicContact CZ-CD2 4.23Å; F61-F65 VanDerWaalsContact O-CB 3.29Å; F61-F65 WeakPolarHBondContact O-CB 3.27Å; F61-F65 PolarHBondContact O-N 3.09Å
62	E	97.9	Very high	97.1	Very high	82 Å²	82	84.3 Å²	84.3	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-64.5	-37.4	178	-78.7	-174.4	-158.5	0	0	112.4	Q58 L59 F65 E66 K72	Q58-E62 HydrophobicContact CG-CG 4.41Å; Q58-E62 PolarHBondContact NE2-OE1 3.43Å; Q58-E62 WeakPolarHBondContact O-CB 3.28Å; Q58-E62 WeakPolarHBondContact O-CG 3.44Å; Q58-E62 PolarHBondContact O-N 3.29Å; L59-E62 PolarHBondContact O-N 3.29Å; L59-E62 VanDerWaalsContact O-N 3.14Å; E62-F65 PolarHBondContact O-N 3.48Å; E62-E66 WeakPolarHBondContact O-CB 3.47Å; E62-E66 PolarHBondContact O-N 3.43Å; E62-K72 IonicContact OE2-NZ 3.6Å
63	D	98.1	Very high	97.2	Very high	64 Å²	64	80.9 Å²	80.9	34%	0.342	37%	0.371	S	S	.	.	H	α-helix	trans	-69.9	-42.7	176.2	-74.4	-20.4	0	0	0	111.6	F37 L59 E60 F61 F65 E66 C67	F37-D63 HydrophobicContact CD1-CB 3.91Å; F37-D63 HydrophobicContact CE1-CB 4.2Å; L59-D63 PolarHBondContact O-N 3.06Å; E60-D63 PolarHBondContact O-N 3.02Å; F61-D63 VanDerWaalsContact C-N 3.33Å; F61-D63 PolarHBondContact O-N 3.34Å; D63-F65 VanDerWaalsContact C-N 3.33Å; D63-F65 PolarHBondContact O-N 3.43Å; D63-E66 PolarHBondContact O-N 3.46Å; D63-C67 WeakPolarHBondContact O-CB 3.43Å; D63-C67 PolarHBondContact O-N 2.9Å
64	F	97.5	Very high	97.3	Very high	26 Å²	26	87.9 Å²	87.9	11%	0.114	39%	0.394	C	S	.	.	H	α-helix	trans	-59.7	-44	171.8	176.5	-123.3	0	0	0	111.7	C34 F37 E38 W41 E60 F61 C67 M68	C34-F64 HydrophobicContact CB-CD2 4.11Å; C34-F64 HydrophobicContact CB-CE2 3.99Å; F37-F64 HydrophobicContact CB-CB 4.03Å; F37-F64 HydrophobicContact CB-CD2 4.15Å; E38-F64 HydrophobicContact CB-CD2 3.83Å; E38-F64 HydrophobicContact CB-CE2 3.54Å; E38-F64 HydrophobicContact CB-CZ 4.06Å; E38-F64 HydrophobicContact CG-CE1 4.48Å; E38-F64 HydrophobicContact CG-CE2 3.94Å; E38-F64 HydrophobicContact CG-CZ 3.91Å; W41-F64 HydrophobicContact CE3-CD1 4.24Å; W41-F64 HydrophobicContact CE3-CE1 4.4Å; W41-F64 HydrophobicContact CZ3-CE1 4.48Å; E60-F64 WeakPolarHBondContact O-CB 3.31Å; E60-F64 PolarHBondContact O-N 2.04Å; F61-F64 PolarHBondContact O-N 2.86Å; F64-C67 PolarHBondContact O-N 2.67Å; F64-M68 HydrophobicContact CD2-CG 4.19Å; F64-M68 HydrophobicContact CE2-CG 3.73Å; F64-M68 HydrophobicContact CE2-SD 4.13Å; F64-M68 HydrophobicContact CZ-CG 3.94Å; F64-M68 HydrophobicContact CZ-SD 4.39Å; F64-M68 WeakPolarHBondContact O-CG 2.82Å; F64-M68 PolarHBondContact O-N 2.78Å
65	F	97.3	Very high	97.4	Very high	94 Å²	94	86.8 Å²	86.8	41%	0.412	39%	0.391	S	S	.	.	H	α-helix	trans	-65.4	-40.5	177.7	-162.5	-89.7	0	0	0	111.8	F61 E62 D63 M68 Y69	F61-F65 HydrophobicContact CZ-CD2 4.23Å; F61-F65 VanDerWaalsContact O-CB 3.29Å; F61-F65 WeakPolarHBondContact O-CB 3.27Å; F61-F65 PolarHBondContact O-N 3.09Å; E62-F65 PolarHBondContact O-N 3.48Å; D63-F65 VanDerWaalsContact C-N 3.33Å; D63-F65 PolarHBondContact O-N 3.43Å; F65-M68 PolarHBondContact O-N 3.25Å; F65-Y69 AromaticContact CD1-CD2 3.65Å; F65-Y69 HydrophobicContact CD1-CD2 3.65Å; F65-Y69 HydrophobicContact CD1-CE2 4.21Å; F65-Y69 AromaticContact CD2-CD2 3.83Å; F65-Y69 HydrophobicContact CD2-CD2 3.83Å; F65-Y69 AromaticContact CD2-CE2 3.59Å; F65-Y69 HydrophobicContact CD2-CE2 3.59Å; F65-Y69 AromaticContact CE1-CD2 3.47Å; F65-Y69 HydrophobicContact CE1-CD2 3.47Å; F65-Y69 VanDerWaalsContact CE1-CD2 3.47Å; F65-Y69 AromaticContact CE1-CE2 3.85Å; F65-Y69 HydrophobicContact CE1-CE2 3.85Å; F65-Y69 HydrophobicContact CE1-CG 4.13Å; F65-Y69 AromaticContact CE2-CD2 3.67Å; F65-Y69 HydrophobicContact CE2-CD2 3.67Å; F65-Y69 AromaticContact CE2-CE2 3.18Å; F65-Y69 HydrophobicContact CE2-CE2 3.18Å; F65-Y69 AromaticContact CG-CD2 3.83Å; F65-Y69 HydrophobicContact CG-CD2 3.83Å; F65-Y69 HydrophobicContact CG-CE2 4.09Å; F65-Y69 AromaticContact CZ-CD2 3.48Å; F65-Y69 HydrophobicContact CZ-CD2 3.48Å; F65-Y69 VanDerWaalsContact CZ-CD2 3.48Å; F65-Y69 AromaticContact CZ-CE2 3.32Å; F65-Y69 HydrophobicContact CZ-CE2 3.32Å; F65-Y69 HydrophobicContact CZ-CG 4.3Å; F65-Y69 VanDerWaalsContact O-CD2 3.31Å; F65-Y69 WeakPolarHBondContact O-CD2 3.03Å; F65-Y69 PolarHBondContact O-N 3.44Å
66	E	98.3	Very high	97.5	Very high	35 Å²	35	87.1 Å²	87.1	16%	0.164	39%	0.388	C	S	.	.	H	α-helix	trans	-62.6	-44.3	173.1	-158.5	-69.1	148.7	0	0	110.8	E62 D63 M68 Y69 R70 K72 T73	E62-E66 WeakPolarHBondContact O-CB 3.47Å; E62-E66 PolarHBondContact O-N 3.43Å; D63-E66 PolarHBondContact O-N 3.46Å; E66-M68 VanDerWaalsContact C-N 3.31Å; E66-M68 PolarHBondContact O-N 2.97Å; E66-Y69 PolarHBondContact O-N 3.45Å; E66-R70 WeakPolarHBondContact O-CA 3.31Å; E66-R70 PolarHBondContact O-N 3.41Å; E66-K72 HydrophobicContact CG-CB 3.87Å; E66-K72 HydrophobicContact CG-CD 3.98Å; E66-K72 HydrophobicContact CG-CG 4.02Å; E66-T73 WeakPolarHBondContact OE1-CB 3.13Å; E66-T73 PolarHBondContact OE1-N 3.23Å; E66-T73 PolarHBondContact OE1-OG1 2.91Å
67	C	97.5	Very high	97.6	Very high	5 Å²	5	87.7 Å²	87.7	3%	0.034	39%	0.392	C	S	.	.	H	α-helix	trans	-58.9	-43.2	179.6	-178.4	0	0	0	0	112.2	C34 F37 D63 F64 R70	C34-C67 WeakPolarHBondContact CA-SG 3.41Å; C34-C67 HydrophobicContact CB-CB 3.89Å; C34-C67 WeakPolarHBondContact CB-SG 3.35Å; C34-C67 WeakPolarHBondContact SG-CB 3.39Å; C34-C67 PolarHBondContact SG-O 3.06Å; C34-C67 CovalentContact SG-SG 2.04Å; C34-C67 PolarHBondContact SG-SG 3.45Å; F37-C67 HydrophobicContact CD2-CB 3.65Å; F37-C67 HydrophobicContact CE2-CB 4.04Å; F37-C67 HydrophobicContact CG-CB 4.33Å; D63-C67 WeakPolarHBondContact O-CB 3.43Å; D63-C67 PolarHBondContact O-N 2.9Å; F64-C67 PolarHBondContact O-N 2.67Å; C67-R70 WeakPolarHBondContact O-CD 3.45Å; C67-R70 PolarHBondContact O-NE 2.84Å
68	M	96.4	Very high	97.6	Very high	87 Å²	87	92.8 Å²	92.8	43%	0.429	42%	0.415	S	S	.	.	H	α-helix	trans	-69.8	-47.2	-179.4	-72.3	-65.4	-71.8	0	0	112.5	C34 F64 F65 E66	C34-M68 HydrophobicContact CB-CG 4.47Å; C34-M68 HydrophobicContact CB-SD 4.09Å; F64-M68 HydrophobicContact CD2-CG 4.19Å; F64-M68 HydrophobicContact CE2-CG 3.73Å; F64-M68 HydrophobicContact CE2-SD 4.13Å; F64-M68 HydrophobicContact CZ-CG 3.94Å; F64-M68 HydrophobicContact CZ-SD 4.39Å; F64-M68 WeakPolarHBondContact O-CG 2.82Å; F64-M68 PolarHBondContact O-N 2.78Å; F65-M68 PolarHBondContact O-N 3.25Å; E66-M68 VanDerWaalsContact C-N 3.31Å; E66-M68 PolarHBondContact O-N 2.97Å
69	Y	96.6	Very high	97.7	Very high	133 Å²	133	90.5 Å²	90.5	52%	0.522	41%	0.414	S	S	.	.	H	α-helix	trans	-96.2	-17.9	-172.7	-69	-79.6	0	0	0	114.4	F65 E66 K71 R74	F65-Y69 AromaticContact CD1-CD2 3.65Å; F65-Y69 HydrophobicContact CD1-CD2 3.65Å; F65-Y69 HydrophobicContact CD1-CE2 4.21Å; F65-Y69 AromaticContact CD2-CD2 3.83Å; F65-Y69 HydrophobicContact CD2-CD2 3.83Å; F65-Y69 AromaticContact CD2-CE2 3.59Å; F65-Y69 HydrophobicContact CD2-CE2 3.59Å; F65-Y69 AromaticContact CE1-CD2 3.47Å; F65-Y69 HydrophobicContact CE1-CD2 3.47Å; F65-Y69 VanDerWaalsContact CE1-CD2 3.47Å; F65-Y69 AromaticContact CE1-CE2 3.85Å; F65-Y69 HydrophobicContact CE1-CE2 3.85Å; F65-Y69 HydrophobicContact CE1-CG 4.13Å; F65-Y69 AromaticContact CE2-CD2 3.67Å; F65-Y69 HydrophobicContact CE2-CD2 3.67Å; F65-Y69 AromaticContact CE2-CE2 3.18Å; F65-Y69 HydrophobicContact CE2-CE2 3.18Å; F65-Y69 AromaticContact CG-CD2 3.83Å; F65-Y69 HydrophobicContact CG-CD2 3.83Å; F65-Y69 HydrophobicContact CG-CE2 4.09Å; F65-Y69 AromaticContact CZ-CD2 3.48Å; F65-Y69 HydrophobicContact CZ-CD2 3.48Å; F65-Y69 VanDerWaalsContact CZ-CD2 3.48Å; F65-Y69 AromaticContact CZ-CE2 3.32Å; F65-Y69 HydrophobicContact CZ-CE2 3.32Å; F65-Y69 HydrophobicContact CZ-CG 4.3Å; F65-Y69 VanDerWaalsContact O-CD2 3.31Å; F65-Y69 WeakPolarHBondContact O-CD2 3.03Å; F65-Y69 PolarHBondContact O-N 3.44Å; E66-Y69 PolarHBondContact O-N 3.45Å; Y69-K71 PolarHBondContact O-N 2.88Å; Y69-K71 VanDerWaalsContact O-N 3.09Å; Y69-R74 PolarHBondContact O-NE 3.43Å; Y69-R74 PolarHBondContact O-NH2 3.3Å
70	R	97.2	Very high	97.7	Very high	93 Å²	93	89 Å²	89	35%	0.351	41%	0.405	S	S	.	.			trans	47.8	35.8	-176.5	-60.8	-65.4	-177	144.8	-0.1	113.4	E66 C67 R74	E66-R70 WeakPolarHBondContact O-CA 3.31Å; E66-R70 PolarHBondContact O-N 3.41Å; C67-R70 WeakPolarHBondContact O-CD 3.45Å; C67-R70 PolarHBondContact O-NE 2.84Å; R70-R74 WeakPolarHBondContact O-CB 3.06Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.35Å; R70-R74 PolarHBondContact O-N 2.84Å; R70-R74 PolarHBondContact O-NE 3.32Å
71	K	97.8	Very high	97.6	Very high	126 Å²	126	94.8 Å²	94.8	55%	0.548	43%	0.425	S	S	.	.	H	α-helix	trans	-67.3	-51.5	-174	-175.4	-178.2	177.6	-176.6	0	111	Y69 T73 R74 Q75	Y69-K71 PolarHBondContact O-N 2.88Å; Y69-K71 VanDerWaalsContact O-N 3.09Å; K71-T73 VanDerWaalsContact C-N 3.34Å; K71-R74 PolarHBondContact O-N 3.2Å; K71-Q75 VanDerWaalsContact O-CG 3.31Å; K71-Q75 WeakPolarHBondContact O-CG 3.41Å; K71-Q75 PolarHBondContact O-N 2.04Å
72	K	97.4	Very high	97.6	Very high	118 Å²	118	96 Å²	96	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-62.9	-43.9	179.2	-63.3	-179.4	-175.9	168.5	0	109.9	E62 E66 R74 Q75 R76	E62-K72 IonicContact OE2-NZ 3.6Å; E66-K72 HydrophobicContact CG-CB 3.87Å; E66-K72 HydrophobicContact CG-CD 3.98Å; E66-K72 HydrophobicContact CG-CG 4.02Å; K72-R74 PolarHBondContact O-N 3.04Å; K72-Q75 PolarHBondContact O-N 2.93Å; K72-R76 WeakPolarHBondContact O-CB 3.43Å; K72-R76 PolarHBondContact O-N 2.78Å
73	T	97.6	Very high	97.6	Very high	55 Å²	55	96.9 Å²	96.9	34%	0.337	44%	0.436	S	S	.	.	H	α-helix	trans	-56.6	-50.2	174.4	-58.2	0	0	0	0	112.3	E66 K71 Q75 R76 M77	E66-T73 WeakPolarHBondContact OE1-CB 3.13Å; E66-T73 PolarHBondContact OE1-N 3.23Å; E66-T73 PolarHBondContact OE1-OG1 2.91Å; K71-T73 VanDerWaalsContact C-N 3.34Å; T73-Q75 PolarHBondContact O-N 2.99Å; T73-R76 PolarHBondContact O-N 2.75Å; T73-M77 WeakPolarHBondContact O-CG 3.31Å; T73-M77 PolarHBondContact O-N 2.86Å
74	R	98	Very high	97.5	Very high	162 Å²	162	98.2 Å²	98.2	61%	0.611	44%	0.436	S	S	*	.	H	α-helix	trans	-62.1	-43	178.9	-78.8	-174	-73.7	162.6	-7.1	112.6	Y69 R70 K71 K72 R76 M77 H78	Y69-R74 PolarHBondContact O-NE 3.43Å; Y69-R74 PolarHBondContact O-NH2 3.3Å; R70-R74 WeakPolarHBondContact O-CB 3.06Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.35Å; R70-R74 PolarHBondContact O-N 2.84Å; R70-R74 PolarHBondContact O-NE 3.32Å; K71-R74 PolarHBondContact O-N 3.2Å; K72-R74 PolarHBondContact O-N 3.04Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R74-R76 PolarHBondContact O-N 3.1Å; R74-M77 PolarHBondContact O-N 3.04Å; R74-H78 WeakPolarHBondContact O-CB 3.16Å; R74-H78 PolarHBondContact O-N 2.92Å
75	Q	98.3	Very high	97.4	Very high	115 Å²	115	100 Å²	100	54%	0.537	45%	0.447	S	S	.	.	H	α-helix	trans	-60.7	-44.6	176.4	-73.7	174.6	-25.1	0	0	111.6	K71 K72 T73 H78 A79	K71-Q75 VanDerWaalsContact O-CG 3.31Å; K71-Q75 WeakPolarHBondContact O-CG 3.41Å; K71-Q75 PolarHBondContact O-N 2.04Å; K72-Q75 PolarHBondContact O-N 2.93Å; T73-Q75 PolarHBondContact O-N 2.99Å; Q75-H78 WeakPolarHBondContact O-CB 3.09Å; Q75-H78 PolarHBondContact O-N 3.06Å; Q75-A79 PolarHBondContact O-N 2.92Å
76	R	98.1	Very high	97.4	Very high	179 Å²	179	100.9 Å²	100.9	68%	0.675	45%	0.451	S	S	*	.	H	α-helix	trans	-60.8	-47.3	176.1	-179	-179.1	172.6	95.7	-0.1	111.6	K72 T73 R74 H78 A79 I80	K72-R76 WeakPolarHBondContact O-CB 3.43Å; K72-R76 PolarHBondContact O-N 2.78Å; T73-R76 PolarHBondContact O-N 2.75Å; R74-R76 VanDerWaalsContact C-N 3.35Å; R74-R76 PolarHBondContact O-N 3.1Å; R76-H78 VanDerWaalsContact C-N 3.29Å; R76-H78 PolarHBondContact O-N 3.49Å; R76-A79 PolarHBondContact O-N 3.38Å; R76-I80 HydrophobicContact CG-CD1 3.93Å; R76-I80 WeakPolarHBondContact O-CG1 3.01Å; R76-I80 PolarHBondContact O-N 3.12Å
77	M	98.2	Very high	97.3	Very high	115 Å²	115	101.5 Å²	101.5	57%	0.567	46%	0.455	S	S	*	.	H	α-helix	trans	-63	-36.8	179.3	-69.1	-56	-65.8	0	0	112.4	T73 R74 I80 R81	T73-M77 WeakPolarHBondContact O-CG 3.31Å; T73-M77 PolarHBondContact O-N 2.86Å; R74-M77 PolarHBondContact O-N 3.04Å; M77-I80 HydrophobicContact SD-CD1 4.39Å; M77-R81 WeakPolarHBondContact O-CB 3.29Å; M77-R81 PolarHBondContact O-N 3.27Å
78	H	98.3	Very high	97.2	Very high	107 Å²	107	104.6 Å²	104.6	50%	0.495	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-51.6	174	-172.4	-89	0	0	0	111.6	R74 Q75 R76 I80 R81 E82	R74-H78 WeakPolarHBondContact O-CB 3.16Å; R74-H78 PolarHBondContact O-N 2.92Å; Q75-H78 WeakPolarHBondContact O-CB 3.09Å; Q75-H78 PolarHBondContact O-N 3.06Å; R76-H78 VanDerWaalsContact C-N 3.29Å; R76-H78 PolarHBondContact O-N 3.49Å; H78-I80 VanDerWaalsContact C-N 3.31Å; H78-I80 PolarHBondContact O-N 3.01Å; H78-R81 WeakPolarHBondContact O-CB 3.42Å; H78-R81 PolarHBondContact O-N 3.45Å; H78-R81 VanDerWaalsContact O-N 3.07Å; H78-E82 IonicContact CE1-OE1 3.7Å; H78-E82 PolarHBondContact CE1-OE1 3.4Å; H78-E82 IonicContact CE1-OE2 3.87Å; H78-E82 PolarHBondContact CE1-OE2 3.42Å; H78-E82 IonicContact ND1-OE1 3.41Å; H78-E82 IonicContact ND1-OE2 3.4Å; H78-E82 PolarHBondContact ND1-OE2 3.16Å; H78-E82 WeakPolarHBondContact O-CG 3.44Å; H78-E82 PolarHBondContact O-N 2.96Å
79	A	98.4	Very high	97.1	Very high	53 Å²	53	109.2 Å²	109.2	44%	0.438	49%	0.488	S	S	.	.	H	α-helix	trans	-60.6	-39.9	179.8	0	0	0	0	0	112.4	Q75 R76 R81 E82 Q83	Q75-A79 PolarHBondContact O-N 2.92Å; R76-A79 PolarHBondContact O-N 3.38Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 2.75Å; A79-E82 PolarHBondContact O-N 3.25Å; A79-Q83 WeakPolarHBondContact O-CB 3.36Å; A79-Q83 PolarHBondContact O-N 3.15Å
80	I	97.3	Very high	97.1	Very high	84 Å²	84	107.1 Å²	107.1	43%	0.431	48%	0.483	S	S	.	.	H	α-helix	trans	-61.1	-43.8	174.8	-69.3	167.1	0	0	0	110.7	R76 M77 H78 Q83 R84	R76-I80 HydrophobicContact CG-CD1 3.93Å; R76-I80 WeakPolarHBondContact O-CG1 3.01Å; R76-I80 PolarHBondContact O-N 3.12Å; M77-I80 HydrophobicContact SD-CD1 4.39Å; H78-I80 VanDerWaalsContact C-N 3.31Å; H78-I80 PolarHBondContact O-N 3.01Å; I80-Q83 PolarHBondContact O-N 3.22Å; I80-R84 WeakPolarHBondContact O-CB 3.41Å; I80-R84 PolarHBondContact O-N 3.21Å
81	R	96.8	Very high	97	Very high	171 Å²	171	105.7 Å²	105.7	65%	0.645	50%	0.497	S	S	*	.	H	α-helix	trans	-64.8	-46.3	179.4	-176	177.4	179.7	166.6	1.3	111.8	M77 H78 A79 Q83 R84 D85	M77-R81 WeakPolarHBondContact O-CB 3.29Å; M77-R81 PolarHBondContact O-N 3.27Å; H78-R81 WeakPolarHBondContact O-CB 3.42Å; H78-R81 PolarHBondContact O-N 3.45Å; H78-R81 VanDerWaalsContact O-N 3.07Å; A79-R81 VanDerWaalsContact C-N 3.33Å; A79-R81 PolarHBondContact O-N 2.75Å; R81-Q83 VanDerWaalsContact C-N 3.32Å; R81-Q83 PolarHBondContact O-N 3.4Å; R81-R84 WeakPolarHBondContact O-CB 3.38Å; R81-R84 PolarHBondContact O-N 2.98Å; R81-D85 WeakPolarHBondContact O-CB 3.49Å; R81-D85 VanDerWaalsContact O-CG 3.25Å; R81-D85 PolarHBondContact O-N 3.37Å
82	E	97.7	Very high	96.8	Very high	113 Å²	113	107.1 Å²	107.1	53%	0.528	50%	0.504	S	S	.	.	H	α-helix	trans	-59.4	-44.6	177.4	-71.3	178.7	129.8	0	0	111.9	H78 A79 D85 K86	H78-E82 IonicContact CE1-OE1 3.7Å; H78-E82 PolarHBondContact CE1-OE1 3.4Å; H78-E82 IonicContact CE1-OE2 3.87Å; H78-E82 PolarHBondContact CE1-OE2 3.42Å; H78-E82 IonicContact ND1-OE1 3.41Å; H78-E82 IonicContact ND1-OE2 3.4Å; H78-E82 PolarHBondContact ND1-OE2 3.16Å; H78-E82 WeakPolarHBondContact O-CG 3.44Å; H78-E82 PolarHBondContact O-N 2.96Å; A79-E82 PolarHBondContact O-N 3.25Å; E82-D85 PolarHBondContact O-N 3.16Å; E82-K86 WeakPolarHBondContact O-CB 3.37Å; E82-K86 PolarHBondContact O-N 3.2Å
83	Q	97.1	Very high	96.6	Very high	100 Å²	100	105.6 Å²	105.6	47%	0.467	50%	0.495	S	S	.	.	H	α-helix	trans	-65.6	-41.5	178	-176.8	61	15.3	0	0	111.7	A79 I80 R81 K86 L87	A79-Q83 WeakPolarHBondContact O-CB 3.36Å; A79-Q83 PolarHBondContact O-N 3.15Å; I80-Q83 PolarHBondContact O-N 3.22Å; R81-Q83 VanDerWaalsContact C-N 3.32Å; R81-Q83 PolarHBondContact O-N 3.4Å; Q83-K86 PolarHBondContact O-N 3.06Å; Q83-L87 HydrophobicContact CG-CD1 4.3Å; Q83-L87 WeakPolarHBondContact O-CG 3.48Å; Q83-L87 PolarHBondContact O-N 3.38Å
84	R	95.6	Very high	96.3	Very high	91 Å²	91	108.7 Å²	108.7	34%	0.343	51%	0.514	S	S	.	.	H	α-helix	trans	-58.3	-50.3	173.8	176.5	-172.3	170.1	-161.1	-1.8	110.8	I80 R81 K86 L87 I88 Y93	I80-R84 WeakPolarHBondContact O-CB 3.41Å; I80-R84 PolarHBondContact O-N 3.21Å; R81-R84 WeakPolarHBondContact O-CB 3.38Å; R81-R84 PolarHBondContact O-N 2.98Å; R84-K86 VanDerWaalsContact C-N 3.27Å; R84-K86 PolarHBondContact O-N 3.32Å; R84-L87 PolarHBondContact O-N 3.21Å; R84-L87 VanDerWaalsContact O-N 3.15Å; R84-I88 HydrophobicContact CG-CD1 3.81Å; R84-I88 HydrophobicContact CG-CG1 4.39Å; R84-I88 WeakPolarHBondContact O-CG1 3.26Å; R84-I88 PolarHBondContact O-N 2.99Å; R84-Y93 HydrophobicContact CG-CD1 4.06Å; R84-Y93 HydrophobicContact CG-CE1 3.84Å
85	D	95.9	Very high	96	Very high	64 Å²	64	102.6 Å²	102.6	34%	0.342	50%	0.495	S	S	.	.	H	α-helix	trans	-62.8	-36.6	-177.4	-68.4	-15.5	0	0	0	111.2	R81 E82 K89	R81-D85 WeakPolarHBondContact O-CB 3.49Å; R81-D85 VanDerWaalsContact O-CG 3.25Å; R81-D85 PolarHBondContact O-N 3.37Å; E82-D85 PolarHBondContact O-N 3.16Å; D85-K89 VanDerWaalsContact O-CG 3.26Å; D85-K89 WeakPolarHBondContact O-CG 3.22Å; D85-K89 PolarHBondContact O-N 3.24Å; D85-K89 VanDerWaalsContact O-N 3.09Å
86	K	97.3	Very high	95.6	Very high	113 Å²	113	99.1 Å²	99.1	49%	0.491	48%	0.483	S	S	.	.	H	α-helix	trans	-62.1	-48.9	172.2	-176.9	178.9	175.7	-179.4	0	112	E82 Q83 R84 I88 K89 E90	E82-K86 WeakPolarHBondContact O-CB 3.37Å; E82-K86 PolarHBondContact O-N 3.2Å; Q83-K86 PolarHBondContact O-N 3.06Å; R84-K86 VanDerWaalsContact C-N 3.27Å; R84-K86 PolarHBondContact O-N 3.32Å; K86-I88 VanDerWaalsContact C-N 3.34Å; K86-I88 PolarHBondContact O-N 3.05Å; K86-K89 PolarHBondContact O-N 3.06Å; K86-E90 WeakPolarHBondContact CE-OE1 3.47Å; K86-E90 WeakPolarHBondContact O-CG 3.01Å; K86-E90 PolarHBondContact O-N 3.07Å
87	L	96.4	Very high	95	Very high	48 Å²	48	92.8 Å²	92.8	25%	0.251	47%	0.469	S	S	.	.	H	α-helix	trans	-68.3	-31.6	-178.4	-67.9	173.4	0	0	0	113.2	Q83 R84 E90 G91 K92 Y93	Q83-L87 HydrophobicContact CG-CD1 4.3Å; Q83-L87 WeakPolarHBondContact O-CG 3.48Å; Q83-L87 PolarHBondContact O-N 3.38Å; R84-L87 PolarHBondContact O-N 3.21Å; R84-L87 VanDerWaalsContact O-N 3.15Å; L87-E90 PolarHBondContact O-N 3.17Å; L87-G91 PolarHBondContact O-N 3.4Å; L87-G91 VanDerWaalsContact O-N 3.16Å; L87-K92 HydrophobicContact CD2-CB 4.27Å; L87-K92 HydrophobicContact CD2-CD 4.43Å; L87-K92 PolarHBondContact O-N 2.85Å; L87-Y93 PolarHBondContact O-N 2.55Å
88	I	94.6	Very high	94.5	Very high	69 Å²	69	91.1 Å²	91.1	35%	0.354	46%	0.459	S	S	.	.	H	α-helix	trans	-66.3	-45	172.4	-67.9	173.8	0	0	0	110.1	R84 K86 E90 G91 Y93	R84-I88 HydrophobicContact CG-CD1 3.81Å; R84-I88 HydrophobicContact CG-CG1 4.39Å; R84-I88 WeakPolarHBondContact O-CG1 3.26Å; R84-I88 PolarHBondContact O-N 2.99Å; K86-I88 VanDerWaalsContact C-N 3.34Å; K86-I88 PolarHBondContact O-N 3.05Å; I88-E90 VanDerWaalsContact C-N 3.28Å; I88-E90 PolarHBondContact O-N 2.98Å; I88-G91 PolarHBondContact O-N 2.75Å; I88-Y93 HydrophobicContact CD1-CD1 4.26Å; I88-Y93 HydrophobicContact CG1-CD1 3.81Å
89	K	94.8	Very high	93.9	Very high	184 Å²	184	91.5 Å²	91.5	80%	0.8	46%	0.461	S	S	*	.	H	α-helix	trans	-61.7	-35.8	176.4	-73.5	172.5	-177.2	179.2	0	112.6	D85 K86 G91	D85-K89 VanDerWaalsContact O-CG 3.26Å; D85-K89 WeakPolarHBondContact O-CG 3.22Å; D85-K89 PolarHBondContact O-N 3.24Å; D85-K89 VanDerWaalsContact O-N 3.09Å; K86-K89 PolarHBondContact O-N 3.06Å; K89-G91 VanDerWaalsContact C-N 3.25Å; K89-G91 PolarHBondContact O-N 2.71Å
90	E	96.7	Very high	93.3	Very high	90 Å²	90	93.1 Å²	93.1	42%	0.421	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.4	174.4	-69.1	178.5	-159.5	0	0	113.6	K86 L87 I88 K92	K86-E90 WeakPolarHBondContact CE-OE1 3.47Å; K86-E90 WeakPolarHBondContact O-CG 3.01Å; K86-E90 PolarHBondContact O-N 3.07Å; L87-E90 PolarHBondContact O-N 3.17Å; I88-E90 VanDerWaalsContact C-N 3.28Å; I88-E90 PolarHBondContact O-N 2.98Å; E90-K92 HydrophobicContact CB-CD 4.27Å; E90-K92 HydrophobicContact CB-CG 4.19Å; E90-K92 PolarHBondContact O-N 3.34Å; E90-K92 WeakPolarHBondContact OE2-CD 3.38Å; E90-K92 WeakPolarHBondContact OE2-CE 3.31Å; E90-K92 IonicContact OE2-NZ 2.74Å; E90-K92 PolarHBondContact OE2-NZ 3.3Å
91	G	93.9	Very high	92.5	Very high	63 Å²	63	92.6 Å²	92.6	65%	0.649	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	9.2	-176.4	0	0	0	0	0	114.9	L87 I88 K89	L87-G91 PolarHBondContact O-N 3.4Å; L87-G91 VanDerWaalsContact O-N 3.16Å; I88-G91 PolarHBondContact O-N 2.75Å; K89-G91 VanDerWaalsContact C-N 3.25Å; K89-G91 PolarHBondContact O-N 2.71Å
92	K	94.9	Very high	91.8	Very high	156 Å²	156	90.3 Å²	90.3	68%	0.678	48%	0.478	S	S	*	.			trans	-87.4	-10.9	-177.2	-67	178.4	-174.2	159	0	113.8	L87 E90	L87-K92 HydrophobicContact CD2-CB 4.27Å; L87-K92 HydrophobicContact CD2-CD 4.43Å; L87-K92 PolarHBondContact O-N 2.85Å; E90-K92 HydrophobicContact CB-CD 4.27Å; E90-K92 HydrophobicContact CB-CG 4.19Å; E90-K92 PolarHBondContact O-N 3.34Å; E90-K92 WeakPolarHBondContact OE2-CD 3.38Å; E90-K92 WeakPolarHBondContact OE2-CE 3.31Å; E90-K92 IonicContact OE2-NZ 2.74Å; E90-K92 PolarHBondContact OE2-NZ 3.3Å
93	Y	92.3	Very high	90.8	Very high	85 Å²	85	90.8 Å²	90.8	33%	0.333	49%	0.491	S	S	.	.			trans	-136.4	129.7	-179.1	179.8	-102.8	0	0	0	111.2	R84 L87 I88 P95	R84-Y93 HydrophobicContact CG-CD1 4.06Å; R84-Y93 HydrophobicContact CG-CE1 3.84Å; L87-Y93 PolarHBondContact O-N 2.55Å; I88-Y93 HydrophobicContact CD1-CD1 4.26Å; I88-Y93 HydrophobicContact CG1-CD1 3.81Å; Y93-P95 HydrophobicContact CE1-CB 4.4Å
94	T	91.6	Very high	89.6	Confident	120 Å²	120	90.4 Å²	90.4	74%	0.736	49%	0.492	S	S	*	.			trans	-114.7	126.3	172.4	-49.4	0	0	0	0	108.2
95	P	91.5	Very high	88.8	Confident	34 Å²	34	95.5 Å²	95.5	22%	0.221	52%	0.519	C	S	.	.			trans	-64.8	145.7	178.9	27	-33.3	0	0	0	110.8	Y93 T100	Y93-P95 HydrophobicContact CE1-CB 4.4Å; P95-T100 HydrophobicContact CB-CG2 4.36Å; P95-T100 HydrophobicContact CG-CG2 4.03Å
96	P	89.3	Confident	87.9	Confident	43 Å²	43	98.7 Å²	98.7	28%	0.279	54%	0.537	S	S	.	.			trans	-70.1	157.6	177.1	31.5	-36.7	0	0	0	111.4	H98 H99	P96-H98 VanDerWaalsContact C-N 3.25Å; P96-H98 WeakPolarHBondContact CB-CE1 3.48Å; P96-H98 VanDerWaalsContact CG-CE1 3.41Å; P96-H98 WeakPolarHBondContact CG-CE1 3.32Å; P96-H98 VanDerWaalsContact CG-NE2 3.31Å; P96-H98 WeakPolarHBondContact CG-NE2 3.35Å; P96-H98 PolarHBondContact O-N 3.27Å; P96-H99 HydrophobicContact CG-CB 4.16Å; P96-H99 VanDerWaalsContact CG-ND1 3.3Å; P96-H99 WeakPolarHBondContact CG-ND1 3.41Å; P96-H99 PolarHBondContact O-N 3.3Å
97	A	86	Confident	86.8	Confident	45 Å²	45	102.9 Å²	102.9	37%	0.372	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-55.7	-36.6	-174.1	0	0	0	0	0	114	H99 T100 G101 Q102	A97-H99 VanDerWaalsContact C-N 3.29Å; A97-H99 PolarHBondContact O-N 3.05Å; A97-T100 WeakPolarHBondContact CA-OG1 3.34Å; A97-T100 PolarHBondContact O-N 3.47Å; A97-T100 PolarHBondContact O-OG1 3.28Å; A97-G101 PolarHBondContact O-N 3.44Å; A97-Q102 HydrophobicContact CB-CB 4.27Å; A97-Q102 HydrophobicContact CB-CG 4.45Å; A97-Q102 PolarHBondContact O-N 2.93Å
98	H	87.3	Confident	86.3	Confident	80 Å²	80	105.6 Å²	105.6	37%	0.37	59%	0.591	S	S	.	*	G	3₁₀ helix	trans	-67.1	-26.5	177.8	56.8	-99.8	0	0	0	114	P96 T100 Q102 D104	P96-H98 VanDerWaalsContact C-N 3.25Å; P96-H98 WeakPolarHBondContact CB-CE1 3.48Å; P96-H98 VanDerWaalsContact CG-CE1 3.41Å; P96-H98 WeakPolarHBondContact CG-CE1 3.32Å; P96-H98 VanDerWaalsContact CG-NE2 3.31Å; P96-H98 WeakPolarHBondContact CG-NE2 3.35Å; P96-H98 PolarHBondContact O-N 3.27Å; H98-T100 PolarHBondContact O-N 3.38Å; H98-Q102 WeakPolarHBondContact CA-O 3.41Å; H98-D104 VanDerWaalsContact CB-CG 3.43Å; H98-D104 WeakPolarHBondContact CB-OD1 3.09Å; H98-D104 WeakPolarHBondContact CB-OD2 3.49Å; H98-D104 IonicContact CG-OD1 2.78Å; H98-D104 IonicContact CG-OD2 3.96Å; H98-D104 IonicContact ND1-OD1 3.84Å
99	H	86.6	Confident	85.9	Confident	115 Å²	115	107.5 Å²	107.5	53%	0.532	60%	0.604	S	S	.	*	G	3₁₀ helix	trans	-82.8	-0.5	171.8	-67.3	159.6	0	0	0	113.4	P96 A97	P96-H99 HydrophobicContact CG-CB 4.16Å; P96-H99 VanDerWaalsContact CG-ND1 3.3Å; P96-H99 WeakPolarHBondContact CG-ND1 3.41Å; P96-H99 PolarHBondContact O-N 3.3Å; A97-H99 VanDerWaalsContact C-N 3.29Å; A97-H99 PolarHBondContact O-N 3.05Å
100	T	85.8	Confident	85.4	Confident	88 Å²	88	103.3 Å²	103.3	54%	0.54	59%	0.593	S	S	.	*	G	3₁₀ helix	trans	-115	11.8	178.7	56.9	0	0	0	0	113.5	P95 A97 H98	P95-T100 HydrophobicContact CB-CG2 4.36Å; P95-T100 HydrophobicContact CG-CG2 4.03Å; A97-T100 WeakPolarHBondContact CA-OG1 3.34Å; A97-T100 PolarHBondContact O-N 3.47Å; A97-T100 PolarHBondContact O-OG1 3.28Å; H98-T100 PolarHBondContact O-N 3.38Å
101	G	80.1	Confident	84.7	Confident	73 Å²	73	104.1 Å²	104.1	75%	0.753	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.4	8.8	173.5	0	0	0	0	0	115.3	A97	A97-G101 PolarHBondContact O-N 3.44Å
102	Q	83.3	Confident	84.1	Confident	123 Å²	123	106.6 Å²	106.6	58%	0.575	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-80.7	133.4	163.3	-63.5	-173.8	5.6	0	0	108.4	A97 H98 D104	A97-Q102 HydrophobicContact CB-CB 4.27Å; A97-Q102 HydrophobicContact CB-CG 4.45Å; A97-Q102 PolarHBondContact O-N 2.93Å; H98-Q102 WeakPolarHBondContact CA-O 3.41Å; Q102-D104 PolarHBondContact O-N 2.93Å
103	P	76.7	Confident	83.4	Confident	122 Å²	122	103.3 Å²	103.3	79%	0.792	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-64.2	136.2	-175.5	25.8	-33.2	0	0	0	110.6
104	D	72.1	Confident	82.8	Confident	92 Å²	92	104.6 Å²	104.6	49%	0.492	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-64.8	145.7	160.9	-84.3	-40.7	0	0	0	108.9	H98 Q102 N106	H98-D104 VanDerWaalsContact CB-CG 3.43Å; H98-D104 WeakPolarHBondContact CB-OD1 3.09Å; H98-D104 WeakPolarHBondContact CB-OD2 3.49Å; H98-D104 IonicContact CG-OD1 2.78Å; H98-D104 IonicContact CG-OD2 3.96Å; H98-D104 IonicContact ND1-OD1 3.84Å; Q102-D104 PolarHBondContact O-N 2.93Å; D104-N106 PolarHBondContact O-N 3.24Å
105	Q	77.3	Confident	82.1	Confident	198 Å²	198	103.5 Å²	103.5	93%	0.925	60%	0.604	S	S	*	*	S	Bend	trans	-72.3	9.8	-179.4	-61.9	-177.5	11.1	0	0	113.5
106	N	77	Confident	81.3	Confident	132 Å²	132	109.3 Å²	109.3	71%	0.706	64%	0.636	S	S	*	*			trans	-83.2	135.9	179	-69.6	-27.2	0	0	0	109.9	D104	D104-N106 PolarHBondContact O-N 3.24Å
107	P	74.3	Confident	80.6	Confident	200 Å²	200	115.3 Å²	115.3	100%	1.299	67%	0.669	S	S	*	*			trans	-64.9	0	-176.9	26.4	-33.6	0	0	0	113.8

Retrieved 107 of 107 residues in 304.6 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).